----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:15:04]------------------------- 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: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.730795940000000 11.823877404999998 b 2.761457850000000 0.000000000000000 11.823877404999998 c 2.761457850000000 6.730795940000000 0.000000000000000 Atomic positions (fractional): *1 S 0.29511048923025 0.59587054257802 0.89968956039500 32.065 2 S 0.20932940779673 0.89968956039500 0.59587054257802 32.065 3 S 0.89968956039500 0.20932940779672 0.29511048923026 32.065 4 S 0.59587054257802 0.29511048923026 0.20932940779673 32.065 5 S 0.65412945742198 0.95488951076974 0.04067059220327 32.065 6 S 0.04067059220327 0.35031043960500 0.65412945742198 32.065 7 S 0.35031043960500 0.04067059220327 0.95488951076974 32.065 8 S 0.95488951076974 0.65412945742198 0.35031043960500 32.065 *9 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 10 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 *11 Rb 0.67821024157988 0.67821024157988 0.32178975842012 85.468 12 Rb 0.32178975842012 0.32178975842012 0.67821024157988 85.468 13 Rb 0.57178975842012 0.57178975842012 0.92821024157988 85.468 14 Rb 0.92821024157988 0.92821024157988 0.57178975842012 85.468 *15 Nb 0.75000000000000 0.75000000000000 0.75000000000000 92.906 16 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.522915700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.461591880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.647754809999995 Atomic positions (fractional): *1 S 0.24778005148651 0.59740002481263 0.94549051590414 32.065 > 1 2 S 0.24778005148651 0.90259997518737 0.55450948409586 32.065 > 2 3 S 0.25221994851349 0.59740002481263 0.55450948409586 32.065 > 3 4 S 0.25221994851349 0.90259997518737 0.94549051590414 32.065 > 4 5 S 0.99778005148651 0.84740002481263 0.80450948409586 32.065 > 5 6 S 0.50221994851349 0.84740002481263 0.69549051590414 32.065 > 6 7 S 0.99778005148651 0.65259997518737 0.69549051590414 32.065 > 7 8 S 0.50221994851349 0.65259997518737 0.80450948409586 32.065 > 8 9 S 0.24778005148651 0.09740002481263 0.44549051590414 32.065 > 1 10 S 0.24778005148651 0.40259997518737 0.05450948409586 32.065 > 2 11 S 0.25221994851349 0.09740002481263 0.05450948409586 32.065 > 3 12 S 0.25221994851349 0.40259997518737 0.44549051590414 32.065 > 4 13 S 0.99778005148651 0.34740002481263 0.30450948409586 32.065 > 5 14 S 0.50221994851349 0.34740002481263 0.19549051590414 32.065 > 6 15 S 0.99778005148651 0.15259997518737 0.19549051590414 32.065 > 7 16 S 0.50221994851349 0.15259997518737 0.30450948409586 32.065 > 8 17 S 0.74778005148651 0.59740002481263 0.44549051590414 32.065 > 1 18 S 0.74778005148651 0.90259997518737 0.05450948409586 32.065 > 2 19 S 0.75221994851349 0.59740002481263 0.05450948409586 32.065 > 3 20 S 0.75221994851349 0.90259997518737 0.44549051590414 32.065 > 4 21 S 0.49778005148651 0.84740002481263 0.30450948409586 32.065 > 5 22 S 0.00221994851349 0.84740002481263 0.19549051590414 32.065 > 6 23 S 0.49778005148651 0.65259997518737 0.19549051590414 32.065 > 7 24 S 0.00221994851349 0.65259997518737 0.30450948409586 32.065 > 8 25 S 0.74778005148651 0.09740002481263 0.94549051590414 32.065 > 1 26 S 0.74778005148651 0.40259997518737 0.55450948409586 32.065 > 2 27 S 0.75221994851349 0.09740002481263 0.55450948409586 32.065 > 3 28 S 0.75221994851349 0.40259997518737 0.94549051590414 32.065 > 4 29 S 0.49778005148651 0.34740002481263 0.80450948409586 32.065 > 5 30 S 0.00221994851349 0.34740002481263 0.69549051590414 32.065 > 6 31 S 0.49778005148651 0.15259997518737 0.69549051590414 32.065 > 7 32 S 0.00221994851349 0.15259997518737 0.80450948409586 32.065 > 8 *33 Cu 0.25000000000000 0.75000000000000 0.75000000000000 63.546 > 9 34 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 10 35 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 > 9 36 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 10 37 Cu 0.75000000000000 0.75000000000000 0.25000000000000 63.546 > 9 38 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 10 39 Cu 0.75000000000000 0.25000000000000 0.75000000000000 63.546 > 9 40 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 10 *41 Rb 0.00000000000000 0.00000000000000 0.67821024157988 85.468 > 11 42 Rb 0.50000000000000 0.00000000000000 0.82178975842012 85.468 > 12 43 Rb 0.75000000000000 0.75000000000000 0.57178975842012 85.468 > 13 44 Rb 0.75000000000000 0.75000000000000 0.92821024157988 85.468 > 14 45 Rb 0.00000000000000 0.50000000000000 0.17821024157988 85.468 > 11 46 Rb 0.50000000000000 0.50000000000000 0.32178975842012 85.468 > 12 47 Rb 0.75000000000000 0.25000000000000 0.07178975842012 85.468 > 13 48 Rb 0.75000000000000 0.25000000000000 0.42821024157988 85.468 > 14 49 Rb 0.50000000000000 0.00000000000000 0.17821024157988 85.468 > 11 50 Rb 0.00000000000000 0.00000000000000 0.32178975842012 85.468 > 12 51 Rb 0.25000000000000 0.75000000000000 0.07178975842012 85.468 > 13 52 Rb 0.25000000000000 0.75000000000000 0.42821024157988 85.468 > 14 53 Rb 0.50000000000000 0.50000000000000 0.67821024157988 85.468 > 11 54 Rb 0.00000000000000 0.50000000000000 0.82178975842012 85.468 > 12 55 Rb 0.25000000000000 0.25000000000000 0.57178975842012 85.468 > 13 56 Rb 0.25000000000000 0.25000000000000 0.92821024157988 85.468 > 14 *57 Nb 0.75000000000000 0.75000000000000 0.75000000000000 92.906 > 15 58 Nb 0.50000000000000 0.00000000000000 0.00000000000000 92.906 > 16 59 Nb 0.75000000000000 0.25000000000000 0.25000000000000 92.906 > 15 60 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 16 61 Nb 0.25000000000000 0.75000000000000 0.25000000000000 92.906 > 15 62 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 16 63 Nb 0.25000000000000 0.25000000000000 0.75000000000000 92.906 > 15 64 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.045831400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.461591880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.647754809999995 Atomic positions (fractional): *1 S 0.12389002574326 0.59740002481263 0.94549051590414 32.065 > 1 2 S 0.62389002574326 0.59740002481263 0.94549051590414 32.065 > 1 3 S 0.12389002574326 0.90259997518737 0.55450948409586 32.065 > 2 4 S 0.62389002574326 0.90259997518737 0.55450948409586 32.065 > 2 5 S 0.12610997425674 0.59740002481263 0.55450948409586 32.065 > 3 6 S 0.62610997425674 0.59740002481263 0.55450948409586 32.065 > 3 7 S 0.12610997425674 0.90259997518737 0.94549051590414 32.065 > 4 8 S 0.62610997425674 0.90259997518737 0.94549051590414 32.065 > 4 9 S 0.49889002574325 0.84740002481263 0.80450948409586 32.065 > 5 10 S 0.99889002574325 0.84740002481263 0.80450948409586 32.065 > 5 11 S 0.25110997425675 0.84740002481263 0.69549051590414 32.065 > 6 12 S 0.75110997425675 0.84740002481263 0.69549051590414 32.065 > 6 13 S 0.49889002574325 0.65259997518737 0.69549051590414 32.065 > 7 14 S 0.99889002574325 0.65259997518737 0.69549051590414 32.065 > 7 15 S 0.25110997425675 0.65259997518737 0.80450948409586 32.065 > 8 16 S 0.75110997425675 0.65259997518737 0.80450948409586 32.065 > 8 17 S 0.12389002574326 0.09740002481263 0.44549051590414 32.065 > 1 18 S 0.62389002574326 0.09740002481263 0.44549051590414 32.065 > 1 19 S 0.12389002574326 0.40259997518737 0.05450948409586 32.065 > 2 20 S 0.62389002574326 0.40259997518737 0.05450948409586 32.065 > 2 21 S 0.12610997425674 0.09740002481263 0.05450948409586 32.065 > 3 22 S 0.62610997425674 0.09740002481263 0.05450948409586 32.065 > 3 23 S 0.12610997425674 0.40259997518737 0.44549051590414 32.065 > 4 24 S 0.62610997425674 0.40259997518737 0.44549051590414 32.065 > 4 25 S 0.49889002574325 0.34740002481263 0.30450948409586 32.065 > 5 26 S 0.99889002574325 0.34740002481263 0.30450948409586 32.065 > 5 27 S 0.25110997425675 0.34740002481263 0.19549051590414 32.065 > 6 28 S 0.75110997425675 0.34740002481263 0.19549051590414 32.065 > 6 29 S 0.49889002574325 0.15259997518737 0.19549051590414 32.065 > 7 30 S 0.99889002574325 0.15259997518737 0.19549051590414 32.065 > 7 31 S 0.25110997425675 0.15259997518737 0.30450948409586 32.065 > 8 32 S 0.75110997425675 0.15259997518737 0.30450948409586 32.065 > 8 33 S 0.37389002574325 0.59740002481263 0.44549051590414 32.065 > 1 34 S 0.87389002574325 0.59740002481263 0.44549051590414 32.065 > 1 35 S 0.37389002574325 0.90259997518737 0.05450948409586 32.065 > 2 36 S 0.87389002574325 0.90259997518737 0.05450948409586 32.065 > 2 37 S 0.37610997425675 0.59740002481263 0.05450948409586 32.065 > 3 38 S 0.87610997425675 0.59740002481263 0.05450948409586 32.065 > 3 39 S 0.37610997425675 0.90259997518737 0.44549051590414 32.065 > 4 40 S 0.87610997425675 0.90259997518737 0.44549051590414 32.065 > 4 41 S 0.24889002574326 0.84740002481263 0.30450948409586 32.065 > 5 42 S 0.74889002574326 0.84740002481263 0.30450948409586 32.065 > 5 43 S 0.00110997425674 0.84740002481263 0.19549051590414 32.065 > 6 44 S 0.50110997425674 0.84740002481263 0.19549051590414 32.065 > 6 45 S 0.24889002574326 0.65259997518737 0.19549051590414 32.065 > 7 46 S 0.74889002574326 0.65259997518737 0.19549051590414 32.065 > 7 47 S 0.00110997425674 0.65259997518737 0.30450948409586 32.065 > 8 48 S 0.50110997425674 0.65259997518737 0.30450948409586 32.065 > 8 49 S 0.37389002574325 0.09740002481263 0.94549051590414 32.065 > 1 50 S 0.87389002574325 0.09740002481263 0.94549051590414 32.065 > 1 51 S 0.37389002574325 0.40259997518737 0.55450948409586 32.065 > 2 52 S 0.87389002574325 0.40259997518737 0.55450948409586 32.065 > 2 53 S 0.37610997425675 0.09740002481263 0.55450948409586 32.065 > 3 54 S 0.87610997425675 0.09740002481263 0.55450948409586 32.065 > 3 55 S 0.37610997425675 0.40259997518737 0.94549051590414 32.065 > 4 56 S 0.87610997425675 0.40259997518737 0.94549051590414 32.065 > 4 57 S 0.24889002574326 0.34740002481263 0.80450948409586 32.065 > 5 58 S 0.74889002574326 0.34740002481263 0.80450948409586 32.065 > 5 59 S 0.00110997425674 0.34740002481263 0.69549051590414 32.065 > 6 60 S 0.50110997425674 0.34740002481263 0.69549051590414 32.065 > 6 61 S 0.24889002574326 0.15259997518737 0.69549051590414 32.065 > 7 62 S 0.74889002574326 0.15259997518737 0.69549051590414 32.065 > 7 63 S 0.00110997425674 0.15259997518737 0.80450948409586 32.065 > 8 64 S 0.50110997425674 0.15259997518737 0.80450948409586 32.065 > 8 *65 Cu 0.12500000000000 0.75000000000000 0.75000000000000 63.546 > 9 66 Cu 0.62500000000000 0.75000000000000 0.75000000000000 63.546 > 9 67 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 10 68 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 10 69 Cu 0.12500000000000 0.25000000000000 0.25000000000000 63.546 > 9 70 Cu 0.62500000000000 0.25000000000000 0.25000000000000 63.546 > 9 71 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 10 72 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 10 73 Cu 0.37500000000000 0.75000000000000 0.25000000000000 63.546 > 9 74 Cu 0.87500000000000 0.75000000000000 0.25000000000000 63.546 > 9 75 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 10 76 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 10 77 Cu 0.37500000000000 0.25000000000000 0.75000000000000 63.546 > 9 78 Cu 0.87500000000000 0.25000000000000 0.75000000000000 63.546 > 9 79 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 10 80 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 10 *81 Rb 0.00000000000000 0.00000000000000 0.67821024157988 85.468 > 11 82 Rb 0.50000000000000 0.00000000000000 0.67821024157988 85.468 > 11 83 Rb 0.25000000000000 0.00000000000000 0.82178975842012 85.468 > 12 84 Rb 0.75000000000000 0.00000000000000 0.82178975842012 85.468 > 12 85 Rb 0.37500000000000 0.75000000000000 0.57178975842012 85.468 > 13 86 Rb 0.87500000000000 0.75000000000000 0.57178975842012 85.468 > 13 87 Rb 0.37500000000000 0.75000000000000 0.92821024157988 85.468 > 14 88 Rb 0.87500000000000 0.75000000000000 0.92821024157988 85.468 > 14 89 Rb 0.00000000000000 0.50000000000000 0.17821024157988 85.468 > 11 90 Rb 0.50000000000000 0.50000000000000 0.17821024157988 85.468 > 11 91 Rb 0.25000000000000 0.50000000000000 0.32178975842012 85.468 > 12 92 Rb 0.75000000000000 0.50000000000000 0.32178975842012 85.468 > 12 93 Rb 0.37500000000000 0.25000000000000 0.07178975842012 85.468 > 13 94 Rb 0.87500000000000 0.25000000000000 0.07178975842012 85.468 > 13 95 Rb 0.37500000000000 0.25000000000000 0.42821024157988 85.468 > 14 96 Rb 0.87500000000000 0.25000000000000 0.42821024157988 85.468 > 14 97 Rb 0.25000000000000 0.00000000000000 0.17821024157988 85.468 > 11 98 Rb 0.75000000000000 0.00000000000000 0.17821024157988 85.468 > 11 99 Rb 0.00000000000000 0.00000000000000 0.32178975842012 85.468 > 12 100 Rb 0.50000000000000 0.00000000000000 0.32178975842012 85.468 > 12 101 Rb 0.12500000000000 0.75000000000000 0.07178975842012 85.468 > 13 102 Rb 0.62500000000000 0.75000000000000 0.07178975842012 85.468 > 13 103 Rb 0.12500000000000 0.75000000000000 0.42821024157988 85.468 > 14 104 Rb 0.62500000000000 0.75000000000000 0.42821024157988 85.468 > 14 105 Rb 0.25000000000000 0.50000000000000 0.67821024157988 85.468 > 11 106 Rb 0.75000000000000 0.50000000000000 0.67821024157988 85.468 > 11 107 Rb 0.00000000000000 0.50000000000000 0.82178975842012 85.468 > 12 108 Rb 0.50000000000000 0.50000000000000 0.82178975842012 85.468 > 12 109 Rb 0.12500000000000 0.25000000000000 0.57178975842012 85.468 > 13 110 Rb 0.62500000000000 0.25000000000000 0.57178975842012 85.468 > 13 111 Rb 0.12500000000000 0.25000000000000 0.92821024157988 85.468 > 14 112 Rb 0.62500000000000 0.25000000000000 0.92821024157988 85.468 > 14 *113 Nb 0.37500000000000 0.75000000000000 0.75000000000000 92.906 > 15 114 Nb 0.87500000000000 0.75000000000000 0.75000000000000 92.906 > 15 115 Nb 0.25000000000000 0.00000000000000 0.00000000000000 92.906 > 16 116 Nb 0.75000000000000 0.00000000000000 0.00000000000000 92.906 > 16 117 Nb 0.37500000000000 0.25000000000000 0.25000000000000 92.906 > 15 118 Nb 0.87500000000000 0.25000000000000 0.25000000000000 92.906 > 15 119 Nb 0.25000000000000 0.50000000000000 0.50000000000000 92.906 > 16 120 Nb 0.75000000000000 0.50000000000000 0.50000000000000 92.906 > 16 121 Nb 0.12500000000000 0.75000000000000 0.25000000000000 92.906 > 15 122 Nb 0.62500000000000 0.75000000000000 0.25000000000000 92.906 > 15 123 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 16 124 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 16 125 Nb 0.12500000000000 0.25000000000000 0.75000000000000 92.906 > 15 126 Nb 0.62500000000000 0.25000000000000 0.75000000000000 92.906 > 15 127 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 > 16 128 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6839354 0.0000000 0.0000000 0.0000000 4.0970251 0.0000000 0.0000000 0.0000000 3.8037326 -------------------------- Born effective charges -------------------------- 1 S -1.5190545 -0.9469073 0.7972278 -0.4151128 -1.1741663 0.6797357 0.2534732 0.5549162 -1.0017243 2 S -1.5190545 0.9469073 -0.7972278 0.4151128 -1.1741663 0.6797357 -0.2534732 0.5549162 -1.0017243 3 S -1.5190545 0.9469073 0.7972278 0.4151128 -1.1741663 -0.6797357 0.2534732 -0.5549162 -1.0017243 4 S -1.5190545 -0.9469073 -0.7972278 -0.4151128 -1.1741663 -0.6797357 -0.2534732 -0.5549162 -1.0017243 5 S -1.5190545 -0.9469073 -0.7972278 -0.4151128 -1.1741663 -0.6797357 -0.2534732 -0.5549162 -1.0017243 6 S -1.5190545 0.9469073 -0.7972278 0.4151128 -1.1741663 0.6797357 -0.2534732 0.5549162 -1.0017243 7 S -1.5190545 0.9469073 0.7972278 0.4151128 -1.1741663 -0.6797357 0.2534732 -0.5549162 -1.0017243 8 S -1.5190545 -0.9469073 0.7972278 -0.4151128 -1.1741663 0.6797357 0.2534732 0.5549162 -1.0017243 9 Cu -0.2816206 0.0000000 0.0000000 0.0000000 0.3414652 0.0000000 0.0000000 0.0000000 0.3388528 10 Cu -0.2816206 0.0000000 0.0000000 0.0000000 0.3414652 0.0000000 0.0000000 0.0000000 0.3388528 11 Rb 1.2159001 -0.0427058 0.0000000 -0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 12 Rb 1.2159001 0.0427058 0.0000000 0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 13 Rb 1.2159001 -0.0427058 0.0000000 -0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 14 Rb 1.2159001 0.0427058 0.0000000 0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 15 Nb 3.9260384 0.0000000 0.0000000 0.0000000 1.5459694 0.0000000 0.0000000 0.0000000 1.0529980 16 Nb 3.9260384 0.0000000 0.0000000 0.0000000 1.5459694 0.0000000 0.0000000 0.0000000 1.0529980 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.712 Solver_block: 200 / 240 - Time: 1.737 Solver_block: 240 / 240 - Time: 0.760 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.236 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), 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 01:15:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:15:20]------------------------- 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): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.730795940000000 11.823877404999998 b 2.761457850000000 0.000000000000000 11.823877404999998 c 2.761457850000000 6.730795940000000 0.000000000000000 Atomic positions (fractional): 1 S 0.29511048923025 0.59587054257802 0.89968956039500 32.065 2 S 0.20932940779673 0.89968956039500 0.59587054257802 32.065 3 S 0.89968956039500 0.20932940779672 0.29511048923026 32.065 4 S 0.59587054257802 0.29511048923026 0.20932940779673 32.065 5 S 0.65412945742198 0.95488951076974 0.04067059220327 32.065 6 S 0.04067059220327 0.35031043960500 0.65412945742198 32.065 7 S 0.35031043960500 0.04067059220327 0.95488951076974 32.065 8 S 0.95488951076974 0.65412945742198 0.35031043960500 32.065 9 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 10 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 11 Rb 0.67821024157988 0.67821024157988 0.32178975842012 85.468 12 Rb 0.32178975842012 0.32178975842012 0.67821024157988 85.468 13 Rb 0.57178975842012 0.57178975842012 0.92821024157988 85.468 14 Rb 0.92821024157988 0.92821024157988 0.57178975842012 85.468 15 Nb 0.75000000000000 0.75000000000000 0.75000000000000 92.906 16 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.045831400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.461591880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.647754809999995 Atomic positions (fractional): 1 S 0.12389002574326 0.59740002481263 0.94549051590414 32.065 > 1 2 S 0.62389002574326 0.59740002481263 0.94549051590414 32.065 > 1 3 S 0.12389002574326 0.90259997518737 0.55450948409586 32.065 > 3 4 S 0.62389002574326 0.90259997518737 0.55450948409586 32.065 > 3 5 S 0.12610997425674 0.59740002481263 0.55450948409586 32.065 > 5 6 S 0.62610997425674 0.59740002481263 0.55450948409586 32.065 > 5 7 S 0.12610997425674 0.90259997518737 0.94549051590414 32.065 > 7 8 S 0.62610997425674 0.90259997518737 0.94549051590414 32.065 > 7 9 S 0.49889002574325 0.84740002481263 0.80450948409586 32.065 > 9 10 S 0.99889002574325 0.84740002481263 0.80450948409586 32.065 > 9 11 S 0.25110997425675 0.84740002481263 0.69549051590414 32.065 > 11 12 S 0.75110997425675 0.84740002481263 0.69549051590414 32.065 > 11 13 S 0.49889002574325 0.65259997518737 0.69549051590414 32.065 > 13 14 S 0.99889002574325 0.65259997518737 0.69549051590414 32.065 > 13 15 S 0.25110997425675 0.65259997518737 0.80450948409586 32.065 > 15 16 S 0.75110997425675 0.65259997518737 0.80450948409586 32.065 > 15 17 S 0.12389002574326 0.09740002481263 0.44549051590414 32.065 > 1 18 S 0.62389002574326 0.09740002481263 0.44549051590414 32.065 > 1 19 S 0.12389002574326 0.40259997518737 0.05450948409586 32.065 > 3 20 S 0.62389002574326 0.40259997518737 0.05450948409586 32.065 > 3 21 S 0.12610997425674 0.09740002481263 0.05450948409586 32.065 > 5 22 S 0.62610997425674 0.09740002481263 0.05450948409586 32.065 > 5 23 S 0.12610997425674 0.40259997518737 0.44549051590414 32.065 > 7 24 S 0.62610997425674 0.40259997518737 0.44549051590414 32.065 > 7 25 S 0.49889002574325 0.34740002481263 0.30450948409586 32.065 > 9 26 S 0.99889002574325 0.34740002481263 0.30450948409586 32.065 > 9 27 S 0.25110997425675 0.34740002481263 0.19549051590414 32.065 > 11 28 S 0.75110997425675 0.34740002481263 0.19549051590414 32.065 > 11 29 S 0.49889002574325 0.15259997518737 0.19549051590414 32.065 > 13 30 S 0.99889002574325 0.15259997518737 0.19549051590414 32.065 > 13 31 S 0.25110997425675 0.15259997518737 0.30450948409586 32.065 > 15 32 S 0.75110997425675 0.15259997518737 0.30450948409586 32.065 > 15 33 S 0.37389002574325 0.59740002481263 0.44549051590414 32.065 > 1 34 S 0.87389002574325 0.59740002481263 0.44549051590414 32.065 > 1 35 S 0.37389002574325 0.90259997518737 0.05450948409586 32.065 > 3 36 S 0.87389002574325 0.90259997518737 0.05450948409586 32.065 > 3 37 S 0.37610997425675 0.59740002481263 0.05450948409586 32.065 > 5 38 S 0.87610997425675 0.59740002481263 0.05450948409586 32.065 > 5 39 S 0.37610997425675 0.90259997518737 0.44549051590414 32.065 > 7 40 S 0.87610997425675 0.90259997518737 0.44549051590414 32.065 > 7 41 S 0.24889002574326 0.84740002481263 0.30450948409586 32.065 > 9 42 S 0.74889002574326 0.84740002481263 0.30450948409586 32.065 > 9 43 S 0.00110997425674 0.84740002481263 0.19549051590414 32.065 > 11 44 S 0.50110997425674 0.84740002481263 0.19549051590414 32.065 > 11 45 S 0.24889002574326 0.65259997518737 0.19549051590414 32.065 > 13 46 S 0.74889002574326 0.65259997518737 0.19549051590414 32.065 > 13 47 S 0.00110997425674 0.65259997518737 0.30450948409586 32.065 > 15 48 S 0.50110997425674 0.65259997518737 0.30450948409586 32.065 > 15 49 S 0.37389002574325 0.09740002481263 0.94549051590414 32.065 > 1 50 S 0.87389002574325 0.09740002481263 0.94549051590414 32.065 > 1 51 S 0.37389002574325 0.40259997518737 0.55450948409586 32.065 > 3 52 S 0.87389002574325 0.40259997518737 0.55450948409586 32.065 > 3 53 S 0.37610997425675 0.09740002481263 0.55450948409586 32.065 > 5 54 S 0.87610997425675 0.09740002481263 0.55450948409586 32.065 > 5 55 S 0.37610997425675 0.40259997518737 0.94549051590414 32.065 > 7 56 S 0.87610997425675 0.40259997518737 0.94549051590414 32.065 > 7 57 S 0.24889002574326 0.34740002481263 0.80450948409586 32.065 > 9 58 S 0.74889002574326 0.34740002481263 0.80450948409586 32.065 > 9 59 S 0.00110997425674 0.34740002481263 0.69549051590414 32.065 > 11 60 S 0.50110997425674 0.34740002481263 0.69549051590414 32.065 > 11 61 S 0.24889002574326 0.15259997518737 0.69549051590414 32.065 > 13 62 S 0.74889002574326 0.15259997518737 0.69549051590414 32.065 > 13 63 S 0.00110997425674 0.15259997518737 0.80450948409586 32.065 > 15 64 S 0.50110997425674 0.15259997518737 0.80450948409586 32.065 > 15 65 Cu 0.12500000000000 0.75000000000000 0.75000000000000 63.546 > 65 66 Cu 0.62500000000000 0.75000000000000 0.75000000000000 63.546 > 65 67 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 67 68 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 67 69 Cu 0.12500000000000 0.25000000000000 0.25000000000000 63.546 > 65 70 Cu 0.62500000000000 0.25000000000000 0.25000000000000 63.546 > 65 71 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 67 72 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 67 73 Cu 0.37500000000000 0.75000000000000 0.25000000000000 63.546 > 65 74 Cu 0.87500000000000 0.75000000000000 0.25000000000000 63.546 > 65 75 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 67 76 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 67 77 Cu 0.37500000000000 0.25000000000000 0.75000000000000 63.546 > 65 78 Cu 0.87500000000000 0.25000000000000 0.75000000000000 63.546 > 65 79 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 67 80 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 67 81 Rb 0.00000000000000 0.00000000000000 0.67821024157988 85.468 > 81 82 Rb 0.50000000000000 0.00000000000000 0.67821024157988 85.468 > 81 83 Rb 0.25000000000000 0.00000000000000 0.82178975842012 85.468 > 83 84 Rb 0.75000000000000 0.00000000000000 0.82178975842012 85.468 > 83 85 Rb 0.37500000000000 0.75000000000000 0.57178975842012 85.468 > 85 86 Rb 0.87500000000000 0.75000000000000 0.57178975842012 85.468 > 85 87 Rb 0.37500000000000 0.75000000000000 0.92821024157988 85.468 > 87 88 Rb 0.87500000000000 0.75000000000000 0.92821024157988 85.468 > 87 89 Rb 0.00000000000000 0.50000000000000 0.17821024157988 85.468 > 81 90 Rb 0.50000000000000 0.50000000000000 0.17821024157988 85.468 > 81 91 Rb 0.25000000000000 0.50000000000000 0.32178975842012 85.468 > 83 92 Rb 0.75000000000000 0.50000000000000 0.32178975842012 85.468 > 83 93 Rb 0.37500000000000 0.25000000000000 0.07178975842012 85.468 > 85 94 Rb 0.87500000000000 0.25000000000000 0.07178975842012 85.468 > 85 95 Rb 0.37500000000000 0.25000000000000 0.42821024157988 85.468 > 87 96 Rb 0.87500000000000 0.25000000000000 0.42821024157988 85.468 > 87 97 Rb 0.25000000000000 0.00000000000000 0.17821024157988 85.468 > 81 98 Rb 0.75000000000000 0.00000000000000 0.17821024157988 85.468 > 81 99 Rb 0.00000000000000 0.00000000000000 0.32178975842012 85.468 > 83 100 Rb 0.50000000000000 0.00000000000000 0.32178975842012 85.468 > 83 101 Rb 0.12500000000000 0.75000000000000 0.07178975842012 85.468 > 85 102 Rb 0.62500000000000 0.75000000000000 0.07178975842012 85.468 > 85 103 Rb 0.12500000000000 0.75000000000000 0.42821024157988 85.468 > 87 104 Rb 0.62500000000000 0.75000000000000 0.42821024157988 85.468 > 87 105 Rb 0.25000000000000 0.50000000000000 0.67821024157988 85.468 > 81 106 Rb 0.75000000000000 0.50000000000000 0.67821024157988 85.468 > 81 107 Rb 0.00000000000000 0.50000000000000 0.82178975842012 85.468 > 83 108 Rb 0.50000000000000 0.50000000000000 0.82178975842012 85.468 > 83 109 Rb 0.12500000000000 0.25000000000000 0.57178975842012 85.468 > 85 110 Rb 0.62500000000000 0.25000000000000 0.57178975842012 85.468 > 85 111 Rb 0.12500000000000 0.25000000000000 0.92821024157988 85.468 > 87 112 Rb 0.62500000000000 0.25000000000000 0.92821024157988 85.468 > 87 113 Nb 0.37500000000000 0.75000000000000 0.75000000000000 92.906 > 113 114 Nb 0.87500000000000 0.75000000000000 0.75000000000000 92.906 > 113 115 Nb 0.25000000000000 0.00000000000000 0.00000000000000 92.906 > 115 116 Nb 0.75000000000000 0.00000000000000 0.00000000000000 92.906 > 115 117 Nb 0.37500000000000 0.25000000000000 0.25000000000000 92.906 > 113 118 Nb 0.87500000000000 0.25000000000000 0.25000000000000 92.906 > 113 119 Nb 0.25000000000000 0.50000000000000 0.50000000000000 92.906 > 115 120 Nb 0.75000000000000 0.50000000000000 0.50000000000000 92.906 > 115 121 Nb 0.12500000000000 0.75000000000000 0.25000000000000 92.906 > 113 122 Nb 0.62500000000000 0.75000000000000 0.25000000000000 92.906 > 113 123 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 115 124 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 115 125 Nb 0.12500000000000 0.25000000000000 0.75000000000000 92.906 > 113 126 Nb 0.62500000000000 0.25000000000000 0.75000000000000 92.906 > 113 127 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 > 115 128 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6839354 0.0000000 0.0000000 0.0000000 4.0970251 0.0000000 0.0000000 0.0000000 3.8037326 -------------------------- Born effective charges -------------------------- 1 S -1.5190545 -0.9469073 0.7972278 -0.4151128 -1.1741663 0.6797357 0.2534732 0.5549162 -1.0017243 2 S -1.5190545 0.9469073 -0.7972278 0.4151128 -1.1741663 0.6797357 -0.2534732 0.5549162 -1.0017243 3 S -1.5190545 0.9469073 0.7972278 0.4151128 -1.1741663 -0.6797357 0.2534732 -0.5549162 -1.0017243 4 S -1.5190545 -0.9469073 -0.7972278 -0.4151128 -1.1741663 -0.6797357 -0.2534732 -0.5549162 -1.0017243 5 S -1.5190545 -0.9469073 -0.7972278 -0.4151128 -1.1741663 -0.6797357 -0.2534732 -0.5549162 -1.0017243 6 S -1.5190545 0.9469073 -0.7972278 0.4151128 -1.1741663 0.6797357 -0.2534732 0.5549162 -1.0017243 7 S -1.5190545 0.9469073 0.7972278 0.4151128 -1.1741663 -0.6797357 0.2534732 -0.5549162 -1.0017243 8 S -1.5190545 -0.9469073 0.7972278 -0.4151128 -1.1741663 0.6797357 0.2534732 0.5549162 -1.0017243 9 Cu -0.2816206 0.0000000 0.0000000 0.0000000 0.3414652 0.0000000 0.0000000 0.0000000 0.3388528 10 Cu -0.2816206 0.0000000 0.0000000 0.0000000 0.3414652 0.0000000 0.0000000 0.0000000 0.3388528 11 Rb 1.2159001 -0.0427058 0.0000000 -0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 12 Rb 1.2159001 0.0427058 0.0000000 0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 13 Rb 1.2159001 -0.0427058 0.0000000 -0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 14 Rb 1.2159001 0.0427058 0.0000000 0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 15 Nb 3.9260384 0.0000000 0.0000000 0.0000000 1.5459694 0.0000000 0.0000000 0.0000000 1.0529980 16 Nb 3.9260384 0.0000000 0.0000000 0.0000000 1.5459694 0.0000000 0.0000000 0.0000000 1.0529980 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: -0.00000004 (yxz) -0.00000004 (yxz) -0.00000004 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 01:15:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:15:38]------------------------- 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): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.730795940000000 11.823877404999998 b 2.761457850000000 0.000000000000000 11.823877404999998 c 2.761457850000000 6.730795940000000 0.000000000000000 Atomic positions (fractional): 1 S 0.29511048923025 0.59587054257802 0.89968956039500 32.065 2 S 0.20932940779673 0.89968956039500 0.59587054257802 32.065 3 S 0.89968956039500 0.20932940779672 0.29511048923026 32.065 4 S 0.59587054257802 0.29511048923026 0.20932940779673 32.065 5 S 0.65412945742198 0.95488951076974 0.04067059220327 32.065 6 S 0.04067059220327 0.35031043960500 0.65412945742198 32.065 7 S 0.35031043960500 0.04067059220327 0.95488951076974 32.065 8 S 0.95488951076974 0.65412945742198 0.35031043960500 32.065 9 Cu 0.25000000000000 0.25000000000000 0.25000000000000 63.546 10 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 11 Rb 0.67821024157988 0.67821024157988 0.32178975842012 85.468 12 Rb 0.32178975842012 0.32178975842012 0.67821024157988 85.468 13 Rb 0.57178975842012 0.57178975842012 0.92821024157988 85.468 14 Rb 0.92821024157988 0.92821024157988 0.57178975842012 85.468 15 Nb 0.75000000000000 0.75000000000000 0.75000000000000 92.906 16 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.045831400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.461591880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.647754809999995 Atomic positions (fractional): 1 S 0.12389002574326 0.59740002481263 0.94549051590414 32.065 > 1 2 S 0.62389002574326 0.59740002481263 0.94549051590414 32.065 > 1 3 S 0.12389002574326 0.90259997518737 0.55450948409586 32.065 > 3 4 S 0.62389002574326 0.90259997518737 0.55450948409586 32.065 > 3 5 S 0.12610997425674 0.59740002481263 0.55450948409586 32.065 > 5 6 S 0.62610997425674 0.59740002481263 0.55450948409586 32.065 > 5 7 S 0.12610997425674 0.90259997518737 0.94549051590414 32.065 > 7 8 S 0.62610997425674 0.90259997518737 0.94549051590414 32.065 > 7 9 S 0.49889002574325 0.84740002481263 0.80450948409586 32.065 > 9 10 S 0.99889002574325 0.84740002481263 0.80450948409586 32.065 > 9 11 S 0.25110997425675 0.84740002481263 0.69549051590414 32.065 > 11 12 S 0.75110997425675 0.84740002481263 0.69549051590414 32.065 > 11 13 S 0.49889002574325 0.65259997518737 0.69549051590414 32.065 > 13 14 S 0.99889002574325 0.65259997518737 0.69549051590414 32.065 > 13 15 S 0.25110997425675 0.65259997518737 0.80450948409586 32.065 > 15 16 S 0.75110997425675 0.65259997518737 0.80450948409586 32.065 > 15 17 S 0.12389002574326 0.09740002481263 0.44549051590414 32.065 > 1 18 S 0.62389002574326 0.09740002481263 0.44549051590414 32.065 > 1 19 S 0.12389002574326 0.40259997518737 0.05450948409586 32.065 > 3 20 S 0.62389002574326 0.40259997518737 0.05450948409586 32.065 > 3 21 S 0.12610997425674 0.09740002481263 0.05450948409586 32.065 > 5 22 S 0.62610997425674 0.09740002481263 0.05450948409586 32.065 > 5 23 S 0.12610997425674 0.40259997518737 0.44549051590414 32.065 > 7 24 S 0.62610997425674 0.40259997518737 0.44549051590414 32.065 > 7 25 S 0.49889002574325 0.34740002481263 0.30450948409586 32.065 > 9 26 S 0.99889002574325 0.34740002481263 0.30450948409586 32.065 > 9 27 S 0.25110997425675 0.34740002481263 0.19549051590414 32.065 > 11 28 S 0.75110997425675 0.34740002481263 0.19549051590414 32.065 > 11 29 S 0.49889002574325 0.15259997518737 0.19549051590414 32.065 > 13 30 S 0.99889002574325 0.15259997518737 0.19549051590414 32.065 > 13 31 S 0.25110997425675 0.15259997518737 0.30450948409586 32.065 > 15 32 S 0.75110997425675 0.15259997518737 0.30450948409586 32.065 > 15 33 S 0.37389002574325 0.59740002481263 0.44549051590414 32.065 > 1 34 S 0.87389002574325 0.59740002481263 0.44549051590414 32.065 > 1 35 S 0.37389002574325 0.90259997518737 0.05450948409586 32.065 > 3 36 S 0.87389002574325 0.90259997518737 0.05450948409586 32.065 > 3 37 S 0.37610997425675 0.59740002481263 0.05450948409586 32.065 > 5 38 S 0.87610997425675 0.59740002481263 0.05450948409586 32.065 > 5 39 S 0.37610997425675 0.90259997518737 0.44549051590414 32.065 > 7 40 S 0.87610997425675 0.90259997518737 0.44549051590414 32.065 > 7 41 S 0.24889002574326 0.84740002481263 0.30450948409586 32.065 > 9 42 S 0.74889002574326 0.84740002481263 0.30450948409586 32.065 > 9 43 S 0.00110997425674 0.84740002481263 0.19549051590414 32.065 > 11 44 S 0.50110997425674 0.84740002481263 0.19549051590414 32.065 > 11 45 S 0.24889002574326 0.65259997518737 0.19549051590414 32.065 > 13 46 S 0.74889002574326 0.65259997518737 0.19549051590414 32.065 > 13 47 S 0.00110997425674 0.65259997518737 0.30450948409586 32.065 > 15 48 S 0.50110997425674 0.65259997518737 0.30450948409586 32.065 > 15 49 S 0.37389002574325 0.09740002481263 0.94549051590414 32.065 > 1 50 S 0.87389002574325 0.09740002481263 0.94549051590414 32.065 > 1 51 S 0.37389002574325 0.40259997518737 0.55450948409586 32.065 > 3 52 S 0.87389002574325 0.40259997518737 0.55450948409586 32.065 > 3 53 S 0.37610997425675 0.09740002481263 0.55450948409586 32.065 > 5 54 S 0.87610997425675 0.09740002481263 0.55450948409586 32.065 > 5 55 S 0.37610997425675 0.40259997518737 0.94549051590414 32.065 > 7 56 S 0.87610997425675 0.40259997518737 0.94549051590414 32.065 > 7 57 S 0.24889002574326 0.34740002481263 0.80450948409586 32.065 > 9 58 S 0.74889002574326 0.34740002481263 0.80450948409586 32.065 > 9 59 S 0.00110997425674 0.34740002481263 0.69549051590414 32.065 > 11 60 S 0.50110997425674 0.34740002481263 0.69549051590414 32.065 > 11 61 S 0.24889002574326 0.15259997518737 0.69549051590414 32.065 > 13 62 S 0.74889002574326 0.15259997518737 0.69549051590414 32.065 > 13 63 S 0.00110997425674 0.15259997518737 0.80450948409586 32.065 > 15 64 S 0.50110997425674 0.15259997518737 0.80450948409586 32.065 > 15 65 Cu 0.12500000000000 0.75000000000000 0.75000000000000 63.546 > 65 66 Cu 0.62500000000000 0.75000000000000 0.75000000000000 63.546 > 65 67 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 67 68 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 67 69 Cu 0.12500000000000 0.25000000000000 0.25000000000000 63.546 > 65 70 Cu 0.62500000000000 0.25000000000000 0.25000000000000 63.546 > 65 71 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 67 72 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 67 73 Cu 0.37500000000000 0.75000000000000 0.25000000000000 63.546 > 65 74 Cu 0.87500000000000 0.75000000000000 0.25000000000000 63.546 > 65 75 Cu 0.25000000000000 0.00000000000000 0.50000000000000 63.546 > 67 76 Cu 0.75000000000000 0.00000000000000 0.50000000000000 63.546 > 67 77 Cu 0.37500000000000 0.25000000000000 0.75000000000000 63.546 > 65 78 Cu 0.87500000000000 0.25000000000000 0.75000000000000 63.546 > 65 79 Cu 0.25000000000000 0.50000000000000 0.00000000000000 63.546 > 67 80 Cu 0.75000000000000 0.50000000000000 0.00000000000000 63.546 > 67 81 Rb 0.00000000000000 0.00000000000000 0.67821024157988 85.468 > 81 82 Rb 0.50000000000000 0.00000000000000 0.67821024157988 85.468 > 81 83 Rb 0.25000000000000 0.00000000000000 0.82178975842012 85.468 > 83 84 Rb 0.75000000000000 0.00000000000000 0.82178975842012 85.468 > 83 85 Rb 0.37500000000000 0.75000000000000 0.57178975842012 85.468 > 85 86 Rb 0.87500000000000 0.75000000000000 0.57178975842012 85.468 > 85 87 Rb 0.37500000000000 0.75000000000000 0.92821024157988 85.468 > 87 88 Rb 0.87500000000000 0.75000000000000 0.92821024157988 85.468 > 87 89 Rb 0.00000000000000 0.50000000000000 0.17821024157988 85.468 > 81 90 Rb 0.50000000000000 0.50000000000000 0.17821024157988 85.468 > 81 91 Rb 0.25000000000000 0.50000000000000 0.32178975842012 85.468 > 83 92 Rb 0.75000000000000 0.50000000000000 0.32178975842012 85.468 > 83 93 Rb 0.37500000000000 0.25000000000000 0.07178975842012 85.468 > 85 94 Rb 0.87500000000000 0.25000000000000 0.07178975842012 85.468 > 85 95 Rb 0.37500000000000 0.25000000000000 0.42821024157988 85.468 > 87 96 Rb 0.87500000000000 0.25000000000000 0.42821024157988 85.468 > 87 97 Rb 0.25000000000000 0.00000000000000 0.17821024157988 85.468 > 81 98 Rb 0.75000000000000 0.00000000000000 0.17821024157988 85.468 > 81 99 Rb 0.00000000000000 0.00000000000000 0.32178975842012 85.468 > 83 100 Rb 0.50000000000000 0.00000000000000 0.32178975842012 85.468 > 83 101 Rb 0.12500000000000 0.75000000000000 0.07178975842012 85.468 > 85 102 Rb 0.62500000000000 0.75000000000000 0.07178975842012 85.468 > 85 103 Rb 0.12500000000000 0.75000000000000 0.42821024157988 85.468 > 87 104 Rb 0.62500000000000 0.75000000000000 0.42821024157988 85.468 > 87 105 Rb 0.25000000000000 0.50000000000000 0.67821024157988 85.468 > 81 106 Rb 0.75000000000000 0.50000000000000 0.67821024157988 85.468 > 81 107 Rb 0.00000000000000 0.50000000000000 0.82178975842012 85.468 > 83 108 Rb 0.50000000000000 0.50000000000000 0.82178975842012 85.468 > 83 109 Rb 0.12500000000000 0.25000000000000 0.57178975842012 85.468 > 85 110 Rb 0.62500000000000 0.25000000000000 0.57178975842012 85.468 > 85 111 Rb 0.12500000000000 0.25000000000000 0.92821024157988 85.468 > 87 112 Rb 0.62500000000000 0.25000000000000 0.92821024157988 85.468 > 87 113 Nb 0.37500000000000 0.75000000000000 0.75000000000000 92.906 > 113 114 Nb 0.87500000000000 0.75000000000000 0.75000000000000 92.906 > 113 115 Nb 0.25000000000000 0.00000000000000 0.00000000000000 92.906 > 115 116 Nb 0.75000000000000 0.00000000000000 0.00000000000000 92.906 > 115 117 Nb 0.37500000000000 0.25000000000000 0.25000000000000 92.906 > 113 118 Nb 0.87500000000000 0.25000000000000 0.25000000000000 92.906 > 113 119 Nb 0.25000000000000 0.50000000000000 0.50000000000000 92.906 > 115 120 Nb 0.75000000000000 0.50000000000000 0.50000000000000 92.906 > 115 121 Nb 0.12500000000000 0.75000000000000 0.25000000000000 92.906 > 113 122 Nb 0.62500000000000 0.75000000000000 0.25000000000000 92.906 > 113 123 Nb 0.00000000000000 0.00000000000000 0.50000000000000 92.906 > 115 124 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 115 125 Nb 0.12500000000000 0.25000000000000 0.75000000000000 92.906 > 113 126 Nb 0.62500000000000 0.25000000000000 0.75000000000000 92.906 > 113 127 Nb 0.00000000000000 0.50000000000000 0.00000000000000 92.906 > 115 128 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6839354 0.0000000 0.0000000 0.0000000 4.0970251 0.0000000 0.0000000 0.0000000 3.8037326 -------------------------- Born effective charges -------------------------- 1 S -1.5190545 -0.9469073 0.7972278 -0.4151128 -1.1741663 0.6797357 0.2534732 0.5549162 -1.0017243 2 S -1.5190545 0.9469073 -0.7972278 0.4151128 -1.1741663 0.6797357 -0.2534732 0.5549162 -1.0017243 3 S -1.5190545 0.9469073 0.7972278 0.4151128 -1.1741663 -0.6797357 0.2534732 -0.5549162 -1.0017243 4 S -1.5190545 -0.9469073 -0.7972278 -0.4151128 -1.1741663 -0.6797357 -0.2534732 -0.5549162 -1.0017243 5 S -1.5190545 -0.9469073 -0.7972278 -0.4151128 -1.1741663 -0.6797357 -0.2534732 -0.5549162 -1.0017243 6 S -1.5190545 0.9469073 -0.7972278 0.4151128 -1.1741663 0.6797357 -0.2534732 0.5549162 -1.0017243 7 S -1.5190545 0.9469073 0.7972278 0.4151128 -1.1741663 -0.6797357 0.2534732 -0.5549162 -1.0017243 8 S -1.5190545 -0.9469073 0.7972278 -0.4151128 -1.1741663 0.6797357 0.2534732 0.5549162 -1.0017243 9 Cu -0.2816206 0.0000000 0.0000000 0.0000000 0.3414652 0.0000000 0.0000000 0.0000000 0.3388528 10 Cu -0.2816206 0.0000000 0.0000000 0.0000000 0.3414652 0.0000000 0.0000000 0.0000000 0.3388528 11 Rb 1.2159001 -0.0427058 0.0000000 -0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 12 Rb 1.2159001 0.0427058 0.0000000 0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 13 Rb 1.2159001 -0.0427058 0.0000000 -0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 14 Rb 1.2159001 0.0427058 0.0000000 0.0065897 1.4046153 0.0000000 0.0000000 0.0000000 1.3075232 15 Nb 3.9260384 0.0000000 0.0000000 0.0000000 1.5459694 0.0000000 0.0000000 0.0000000 1.0529980 16 Nb 3.9260384 0.0000000 0.0000000 0.0000000 1.5459694 0.0000000 0.0000000 0.0000000 1.0529980 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yxz) -0.00000004 (yxz) -0.00000004 (yzx) 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 ... [ 10 10 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: 0.55, Number of G-points: 277, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 171 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 0.670 ( 0.000 0.000 0.000) 0.000 0.934 ( 0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 -0.000) 0.000 1.523 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.739 ( -0.000 0.000 0.000) 0.000 1.963 ( -0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 -0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.081 ( -0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.324 ( -0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 -0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 3.138 ( -0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 -0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 -0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 12.529 ( 0.000 0.000 0.000) 0.000 12.579 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 0.000) 0.000 12.940 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.058 ( 0.000 0.000 0.000) 0.000 13.147 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( -11.569 6.207 9.638) 16.287 0.436 ( -19.943 6.423 2.060) 21.053 0.908 ( -41.876 6.506 0.065) 42.379 0.986 ( -12.485 -1.096 -0.741) 12.555 1.068 ( -21.288 6.916 -0.304) 22.385 1.473 ( -9.265 -0.038 1.470) 9.381 1.607 ( 1.867 -0.760 -5.433) 5.795 1.648 ( -6.960 -1.195 2.278) 7.420 1.720 ( 1.476 -0.206 -0.196) 1.503 1.728 ( 0.239 0.879 1.496) 1.751 2.007 ( -1.856 -2.324 -4.777) 5.627 2.045 ( -2.819 0.474 -3.310) 4.373 2.093 ( 0.285 0.724 6.719) 6.764 2.105 ( -2.581 1.244 1.965) 3.475 2.198 ( -6.124 0.212 -1.470) 6.301 2.285 ( 2.012 -2.787 1.229) 3.651 2.309 ( 0.066 2.690 -0.043) 2.691 2.392 ( -4.232 -1.473 1.211) 4.642 2.422 ( 3.151 2.706 -0.815) 4.233 2.551 ( -2.116 -0.038 -0.212) 2.127 3.079 ( 8.005 0.162 -0.602) 8.029 3.094 ( 10.178 2.391 1.847) 10.616 3.193 ( 8.856 -0.051 0.837) 8.895 3.277 ( 8.321 0.926 -0.117) 8.373 4.559 ( -6.364 0.209 0.225) 6.371 4.563 ( -6.323 -0.574 0.035) 6.349 4.613 ( -8.071 -0.014 0.132) 8.072 4.759 ( -3.116 -0.234 -0.566) 3.176 4.787 ( 3.155 -0.120 0.297) 3.172 4.833 ( 3.687 -0.563 -0.141) 3.732 6.216 ( 5.622 -0.446 -0.282) 5.646 6.231 ( 5.738 -0.072 -0.074) 5.739 6.670 ( -0.669 -0.080 0.602) 0.903 6.706 ( 0.672 0.487 0.018) 0.830 6.768 ( -0.577 0.184 0.145) 0.623 6.795 ( -2.018 0.392 -0.041) 2.057 7.484 ( 6.727 0.029 0.001) 6.727 7.522 ( 4.500 -0.829 -0.539) 4.608 7.874 ( -6.705 0.134 0.045) 6.707 7.895 ( -7.943 -0.047 -0.064) 7.944 12.526 ( 0.227 -0.052 0.042) 0.236 12.568 ( 1.047 -0.207 -0.200) 1.086 12.938 ( -1.003 -0.833 -0.177) 1.316 13.049 ( -0.771 -1.539 -1.496) 2.280 13.093 ( -3.365 1.502 0.046) 3.685 13.142 ( 0.892 1.032 -0.552) 1.471 13.348 ( 1.289 -4.773 0.128) 4.946 13.617 ( -2.926 -3.810 -4.857) 6.831 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -13.430 6.742 7.457) 16.776 0.819 ( -17.007 3.397 1.848) 17.441 1.147 ( -9.562 0.570 -3.168) 10.089 1.366 ( -6.439 2.324 -2.065) 7.150 1.470 ( 4.121 -0.353 -1.520) 4.407 1.511 ( -14.431 1.724 4.200) 15.128 1.658 ( 1.097 -0.731 -0.201) 1.333 1.701 ( -4.308 1.537 -2.752) 5.338 1.751 ( -10.330 2.188 2.724) 10.905 1.906 ( -4.226 -4.124 -0.632) 5.938 1.976 ( -0.259 -1.762 -2.379) 2.972 2.087 ( 1.909 3.075 4.398) 5.696 2.125 ( -0.964 3.606 -2.726) 4.622 2.217 ( 1.318 -1.000 -3.460) 3.835 2.258 ( -11.441 1.917 1.049) 11.647 2.294 ( 0.966 0.904 2.394) 2.735 2.364 ( 2.609 1.680 0.835) 3.214 2.387 ( -10.042 1.263 -0.690) 10.144 2.606 ( -25.631 -0.338 0.108) 25.634 2.728 ( -17.350 -5.801 -0.605) 18.304 2.873 ( 8.097 2.829 -2.046) 8.818 2.947 ( 8.758 0.246 1.139) 8.835 3.001 ( 11.261 -0.505 2.102) 11.467 3.077 ( 12.684 -1.123 0.114) 12.734 4.689 ( -0.282 -1.082 -0.406) 1.189 4.695 ( -0.043 -0.887 0.266) 0.927 4.708 ( -8.856 0.053 0.208) 8.858 4.737 ( 3.566 -0.093 -0.685) 3.633 4.778 ( -7.629 0.202 0.434) 7.644 4.834 ( -4.717 -0.059 0.220) 4.722 6.050 ( 12.712 -0.039 -0.004) 12.712 6.063 ( 12.872 -0.175 -0.104) 12.874 6.690 ( -1.350 0.156 0.091) 1.362 6.705 ( -0.139 0.695 0.146) 0.723 6.784 ( -0.778 0.138 0.328) 0.856 6.833 ( -2.048 -0.373 -0.227) 2.094 7.379 ( 4.500 -0.041 0.246) 4.507 7.435 ( 3.827 -0.764 -0.477) 3.932 8.009 ( -7.351 0.542 0.159) 7.373 8.037 ( -7.321 0.071 -0.163) 7.323 12.524 ( 0.019 -0.048 0.074) 0.090 12.542 ( 1.476 -0.087 -0.125) 1.483 12.954 ( -0.732 0.810 0.272) 1.125 13.043 ( -0.383 -1.800 -0.370) 1.877 13.126 ( 1.362 1.475 -1.203) 2.341 13.169 ( -3.148 1.390 -1.233) 3.655 13.288 ( 0.773 -5.683 1.864) 6.031 13.612 ( 0.151 -0.265 -2.165) 2.186 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -14.287 5.358 4.896) 16.025 1.105 ( -12.825 -1.108 0.776) 12.896 1.286 ( -7.271 -2.931 -2.001) 8.091 1.389 ( -2.824 0.326 -5.534) 6.221 1.500 ( -3.151 0.722 1.292) 3.481 1.633 ( 0.481 -0.586 1.274) 1.482 1.642 ( 0.753 0.460 0.881) 1.247 1.703 ( -0.517 1.579 4.211) 4.527 1.856 ( 2.373 -2.720 -1.719) 3.998 1.908 ( 3.670 -2.297 -0.231) 4.336 1.972 ( -4.650 1.695 1.439) 5.154 2.026 ( 5.763 2.107 0.262) 6.142 2.068 ( 5.989 4.507 -2.250) 7.826 2.207 ( 2.230 0.558 -0.654) 2.390 2.240 ( 4.312 0.666 -0.362) 4.378 2.330 ( 1.901 1.029 -1.282) 2.514 2.545 ( -9.910 2.476 -0.938) 10.258 2.575 ( -2.685 2.592 -0.801) 3.816 2.641 ( 0.381 -1.052 2.749) 2.968 2.763 ( 9.184 -0.578 -0.783) 9.236 2.803 ( 5.759 -0.523 0.419) 5.798 2.844 ( 9.648 -0.990 1.582) 9.827 3.272 ( -40.756 0.169 0.630) 40.761 3.359 ( -38.328 -2.050 -0.849) 38.392 4.557 ( 7.825 -0.735 -0.247) 7.863 4.593 ( 7.343 -1.047 -0.235) 7.421 4.839 ( -6.776 -0.162 0.067) 6.778 4.856 ( -6.969 -0.035 0.035) 6.969 4.904 ( -5.264 -0.494 -0.800) 5.347 4.932 ( -5.486 0.652 1.250) 5.664 5.753 ( 19.948 0.008 0.038) 19.948 5.761 ( 20.129 -0.160 -0.086) 20.130 6.716 ( -1.016 0.611 -0.206) 1.204 6.725 ( -1.265 0.762 0.233) 1.495 6.799 ( -0.580 -0.077 0.572) 0.818 6.857 ( -1.172 -0.822 -0.503) 1.517 7.324 ( 1.850 -0.064 0.457) 1.906 7.374 ( 2.046 -0.748 -0.498) 2.234 8.137 ( -5.960 0.517 0.109) 5.984 8.152 ( -5.304 0.197 -0.079) 5.309 12.517 ( 1.142 0.255 0.155) 1.180 12.526 ( -0.126 0.028 0.013) 0.130 12.975 ( -0.437 1.312 0.425) 1.447 13.034 ( -0.003 -1.468 0.720) 1.635 13.105 ( 1.157 0.777 -2.052) 2.480 13.190 ( -0.004 -0.529 -2.531) 2.586 13.276 ( -1.323 -2.697 3.644) 4.723 13.591 ( 1.165 0.034 -1.108) 1.608 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -11.435 1.721 0.992) 11.606 1.264 ( -7.369 -3.771 -0.824) 8.319 1.360 ( -3.733 -3.157 1.128) 5.017 1.455 ( -4.206 -1.606 -2.684) 5.242 1.535 ( -1.157 -0.285 -1.385) 1.827 1.618 ( 0.050 1.580 1.286) 2.038 1.656 ( -2.066 1.203 2.427) 3.407 1.741 ( 2.715 0.854 1.617) 3.273 1.801 ( -1.640 0.736 2.985) 3.485 1.842 ( 2.921 -0.217 1.986) 3.538 1.927 ( 6.651 2.194 -2.870) 7.569 1.975 ( 2.926 0.869 -1.097) 3.243 2.031 ( 2.887 0.588 -2.521) 3.878 2.120 ( 7.130 0.834 -0.478) 7.195 2.141 ( 5.468 2.099 0.949) 5.934 2.296 ( 0.865 0.449 -2.797) 2.962 2.458 ( 5.396 2.934 3.300) 6.973 2.573 ( 5.346 -4.707 -0.823) 7.170 2.616 ( 2.676 -1.238 -1.843) 3.477 2.675 ( 4.255 -0.232 0.635) 4.308 2.855 ( -10.308 1.532 1.452) 10.522 2.913 ( -8.038 1.688 0.058) 8.213 3.997 ( -37.285 0.044 0.562) 37.290 4.038 ( -35.969 -1.061 -0.471) 35.987 4.416 ( 6.079 -0.735 -0.456) 6.140 4.462 ( 5.574 -0.602 0.027) 5.606 4.936 ( -3.798 -0.128 0.052) 3.801 4.952 ( -3.546 -0.050 -0.034) 3.546 4.968 ( -2.552 -0.162 -0.295) 2.574 5.023 ( -3.228 0.304 0.679) 3.312 5.337 ( 25.384 0.034 -0.182) 25.385 5.345 ( 25.163 0.149 0.085) 25.164 6.737 ( -0.781 0.741 0.046) 1.078 6.752 ( -0.990 0.506 -0.242) 1.138 6.809 ( -0.340 -0.050 0.796) 0.867 6.860 ( -0.264 -0.914 -0.603) 1.127 7.306 ( 0.482 -0.027 0.392) 0.622 7.343 ( 0.745 -0.467 -0.370) 0.954 8.222 ( -3.015 0.088 -0.210) 3.023 8.231 ( -3.088 0.335 0.251) 3.116 12.506 ( 0.511 0.389 0.322) 0.718 12.528 ( -0.089 0.030 -0.121) 0.153 12.987 ( 0.009 0.414 -0.031) 0.415 13.034 ( 0.055 0.304 1.972) 1.996 13.080 ( 0.489 -0.669 -2.513) 2.646 13.173 ( 0.314 -0.490 -0.844) 1.025 13.296 ( -0.728 -0.882 1.807) 2.139 13.567 ( 0.949 -0.055 -0.489) 1.069 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.000 0.000 -0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.360 ( -0.000 -0.000 -0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.616 ( -0.000 0.000 -0.000) 0.000 1.637 ( -0.000 0.000 -0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.733 ( -0.000 0.000 0.000) 0.000 1.769 ( -0.000 0.000 -0.000) 0.000 1.856 ( -0.000 0.000 -0.000) 0.000 1.899 ( 0.000 -0.000 -0.000) 0.000 1.911 ( -0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 -0.000) 0.000 2.062 ( -0.000 0.000 -0.000) 0.000 2.097 ( -0.000 0.000 0.000) 0.000 2.284 ( -0.000 0.000 0.000) 0.000 2.463 ( -0.000 0.000 0.000) 0.000 2.466 ( 0.000 -0.000 -0.000) 0.000 2.598 ( -0.000 0.000 -0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.971 ( -0.000 0.000 0.000) 0.000 3.000 ( -0.000 0.000 0.000) 0.000 4.339 ( -0.000 0.000 0.000) 0.000 4.396 ( -0.000 0.000 0.000) 0.000 4.481 ( -0.000 0.000 0.000) 0.000 4.503 ( -0.000 0.000 0.000) 0.000 4.955 ( -0.000 0.000 0.000) 0.000 4.962 ( -0.000 0.000 0.000) 0.000 4.981 ( -0.000 0.000 0.000) 0.000 4.990 ( -0.000 0.000 0.000) 0.000 5.014 ( -0.000 0.000 0.000) 0.000 5.058 ( -0.000 0.000 0.000) 0.000 6.749 ( -0.000 0.000 0.000) 0.000 6.762 ( -0.000 0.000 0.000) 0.000 6.815 ( -0.000 -0.000 0.000) 0.000 6.855 ( -0.000 0.000 0.000) 0.000 7.303 ( -0.000 0.000 0.000) 0.000 7.334 ( -0.000 0.000 0.000) 0.000 8.248 ( -0.000 0.000 0.000) 0.000 8.262 ( -0.000 0.000 -0.000) 0.000 12.504 ( -0.000 0.000 0.000) 0.000 12.528 ( -0.000 0.000 0.000) 0.000 12.987 ( -0.000 0.000 0.000) 0.000 13.045 ( -0.000 0.000 -0.000) 0.000 13.062 ( -0.000 0.000 0.000) 0.000 13.167 ( -0.000 0.000 0.000) 0.000 13.303 ( -0.000 0.000 0.000) 0.000 13.557 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.100 ( -0.000 0.000 11.718) 11.718 0.114 ( -0.000 0.000 13.390) 13.390 0.239 ( -0.000 0.000 28.198) 28.198 0.664 ( 0.000 -0.000 -1.467) 1.467 0.912 ( 0.000 -0.000 -4.849) 4.849 1.383 ( -0.000 0.000 3.226) 3.226 1.516 ( 0.000 -0.000 -1.544) 1.544 1.715 ( 0.000 -0.000 -0.491) 0.491 1.720 ( 0.000 -0.000 -4.781) 4.781 1.747 ( -0.000 0.000 2.405) 2.405 1.943 ( 0.000 -0.000 -3.821) 3.821 2.055 ( -0.000 0.000 1.360) 1.360 2.069 ( 0.000 -0.000 -1.502) 1.502 2.130 ( 0.000 -0.000 -2.611) 2.611 2.191 ( 0.000 -0.000 -0.912) 0.912 2.299 ( 0.000 -0.000 -2.499) 2.499 2.349 ( -0.000 0.000 3.232) 3.232 2.379 ( -0.000 0.000 4.495) 4.495 2.443 ( -0.000 0.000 0.138) 0.138 2.617 ( 0.000 -0.000 -0.482) 0.482 3.204 ( -0.000 0.000 0.344) 0.344 3.246 ( 0.000 -0.000 -0.187) 0.187 3.279 ( -0.000 0.000 0.351) 0.351 3.336 ( 0.000 -0.000 -0.329) 0.329 4.503 ( -0.000 0.000 0.039) 0.039 4.514 ( -0.000 0.000 1.137) 1.137 4.516 ( 0.000 -0.000 -0.115) 0.115 4.723 ( 0.000 -0.000 -1.394) 1.394 4.819 ( -0.000 0.000 0.293) 0.293 4.869 ( 0.000 -0.000 -0.315) 0.315 6.242 ( -0.000 0.000 0.184) 0.184 6.281 ( 0.000 -0.000 -0.285) 0.285 6.714 ( -0.000 0.000 0.004) 0.004 6.714 ( -0.000 0.000 0.001) 0.001 6.762 ( -0.000 0.000 0.031) 0.031 6.766 ( 0.000 -0.000 -0.019) 0.019 7.544 ( -0.000 0.000 0.101) 0.101 7.570 ( 0.000 -0.000 -0.213) 0.213 7.798 ( 0.000 -0.000 -0.008) 0.008 7.799 ( 0.000 -0.000 -0.014) 0.014 12.530 ( -0.000 0.000 0.077) 0.077 12.577 ( 0.000 -0.000 -0.496) 0.496 12.839 ( -0.000 0.000 0.308) 0.308 12.935 ( 0.000 -0.000 -1.113) 1.113 13.052 ( -0.000 0.000 0.870) 0.870 13.145 ( 0.000 -0.000 -0.521) 0.521 13.360 ( -0.000 0.000 0.025) 0.025 13.381 ( 0.000 -0.000 -0.219) 0.219 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -9.084 2.368 17.304) 19.687 0.472 ( -17.132 7.097 7.129) 19.867 0.906 ( -30.371 5.475 -1.245) 30.886 0.978 ( -21.836 0.062 -0.473) 21.842 1.063 ( -23.519 6.888 -0.953) 24.526 1.494 ( -8.724 -0.059 2.893) 9.191 1.555 ( 1.592 -0.226 -6.593) 6.786 1.646 ( -4.418 -1.134 -2.720) 5.311 1.718 ( -0.323 -0.255 0.029) 0.413 1.753 ( -0.960 0.653 3.814) 3.987 1.966 ( -0.441 -3.898 -4.360) 5.865 2.014 ( -3.238 1.233 -3.832) 5.166 2.107 ( -4.301 1.644 1.183) 4.754 2.168 ( 0.020 -1.245 5.170) 5.318 2.179 ( -2.970 0.523 -0.370) 3.038 2.296 ( 0.116 -1.722 0.652) 1.845 2.310 ( -0.024 1.091 0.587) 1.239 2.410 ( -3.217 -2.100 2.750) 4.724 2.411 ( 3.435 3.668 -1.432) 5.225 2.548 ( 0.055 0.308 -0.312) 0.442 3.078 ( 9.850 -0.753 0.338) 9.885 3.111 ( 9.193 2.123 1.840) 9.613 3.207 ( 8.673 -0.144 2.149) 8.936 3.275 ( 8.104 0.736 -0.325) 8.144 4.562 ( -6.315 0.095 0.516) 6.337 4.564 ( -6.357 -0.570 0.087) 6.383 4.616 ( -7.951 -0.065 0.577) 7.972 4.750 ( -2.775 -0.299 -1.395) 3.120 4.791 ( 2.555 -0.125 0.484) 2.604 4.831 ( 3.635 -0.550 -0.406) 3.699 6.213 ( 5.257 -0.283 -0.438) 5.282 6.230 ( 5.730 0.045 -0.276) 5.737 6.678 ( -0.005 -0.423 1.132) 1.208 6.706 ( 0.661 0.526 0.050) 0.846 6.771 ( -0.678 0.055 0.364) 0.771 6.794 ( -1.981 0.391 -0.115) 2.022 7.484 ( 6.562 -0.017 0.008) 6.562 7.515 ( 4.228 -0.392 -1.094) 4.385 7.875 ( -6.768 0.138 0.137) 6.771 7.894 ( -7.872 0.016 -0.200) 7.874 12.527 ( 0.227 -0.038 0.145) 0.272 12.565 ( 0.966 -0.175 -0.558) 1.129 12.935 ( -1.417 -0.749 -0.451) 1.665 13.025 ( -3.083 -1.171 -3.898) 5.106 13.094 ( -3.043 1.422 0.202) 3.365 13.134 ( 1.015 0.986 -1.035) 1.754 13.350 ( 0.898 -4.587 0.348) 4.687 13.554 ( -6.585 -0.476 -8.425) 10.704 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -10.875 5.271 12.388) 17.306 0.842 ( -15.982 3.422 3.563) 16.728 1.111 ( -10.186 1.010 -5.020) 11.400 1.337 ( -2.915 1.418 -5.272) 6.189 1.458 ( -0.602 0.162 -0.548) 0.830 1.552 ( -15.147 2.390 4.707) 16.041 1.653 ( -1.011 -0.666 -1.111) 1.643 1.682 ( -2.369 1.437 -1.154) 3.001 1.773 ( -8.471 1.074 2.388) 8.867 1.897 ( -3.193 -3.969 -1.293) 5.255 1.964 ( -2.835 -1.033 -0.432) 3.048 2.082 ( -4.593 3.504 -5.213) 7.782 2.133 ( 4.477 2.039 3.837) 6.238 2.190 ( 4.802 0.709 -2.506) 5.463 2.269 ( -11.347 2.118 1.724) 11.671 2.312 ( 0.818 -0.312 1.950) 2.137 2.372 ( -1.544 1.423 0.559) 2.173 2.379 ( -5.140 1.333 -0.761) 5.365 2.608 ( -25.640 -0.394 0.406) 25.646 2.717 ( -21.797 -4.678 -2.102) 22.392 2.862 ( 11.672 1.463 -0.281) 11.766 2.951 ( 9.463 -0.114 -0.105) 9.464 3.024 ( 10.841 -0.253 2.909) 11.227 3.079 ( 12.139 -0.906 0.342) 12.178 4.685 ( 1.360 -1.089 -0.422) 1.792 4.696 ( -2.068 -0.950 0.132) 2.280 4.711 ( -7.865 -0.016 0.459) 7.879 4.730 ( 2.233 0.122 -0.905) 2.413 4.783 ( -6.706 -0.314 0.534) 6.734 4.836 ( -5.000 0.260 0.246) 5.013 6.050 ( 12.633 -0.050 0.024) 12.633 6.062 ( 12.859 -0.126 -0.194) 12.861 6.691 ( -1.120 -0.002 0.126) 1.127 6.707 ( -0.217 0.760 0.224) 0.821 6.788 ( -0.858 0.041 0.613) 1.055 6.830 ( -1.914 -0.316 -0.436) 1.988 7.382 ( 4.371 -0.089 0.476) 4.397 7.429 ( 3.781 -0.648 -0.836) 3.926 8.011 ( -7.352 0.528 0.307) 7.377 8.035 ( -7.319 0.141 -0.318) 7.328 12.525 ( 0.069 -0.035 0.147) 0.166 12.540 ( 1.303 -0.031 -0.226) 1.322 12.958 ( -0.999 0.611 0.585) 1.309 13.037 ( -1.165 -1.786 -1.000) 2.355 13.114 ( 1.455 1.144 -1.433) 2.341 13.156 ( -2.100 1.394 -1.750) 3.068 13.308 ( -0.245 -5.260 2.638) 5.889 13.588 ( -0.818 0.675 -3.387) 3.550 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -12.151 4.652 7.109) 14.826 1.114 ( -11.644 -1.219 1.155) 11.764 1.266 ( -8.508 -1.999 -2.653) 9.133 1.336 ( -3.876 0.545 -6.742) 7.796 1.512 ( -2.209 -0.234 1.383) 2.616 1.643 ( 1.753 1.540 -0.377) 2.364 1.650 ( -0.140 -1.439 2.663) 3.030 1.747 ( -2.787 1.015 5.677) 6.405 1.835 ( 0.396 -2.309 -3.267) 4.020 1.907 ( 3.420 -2.355 0.040) 4.153 1.988 ( -3.427 1.251 2.303) 4.314 2.027 ( 7.236 2.618 -0.390) 7.705 2.048 ( 7.025 4.016 -2.126) 8.366 2.190 ( -1.589 1.431 -3.078) 3.748 2.243 ( 6.373 0.745 1.015) 6.496 2.318 ( 4.106 0.892 -1.442) 4.442 2.537 ( -7.766 2.001 -1.041) 8.086 2.571 ( -8.182 2.699 -0.160) 8.618 2.664 ( 3.276 -1.508 2.741) 4.530 2.754 ( 8.858 -1.442 -1.256) 9.062 2.807 ( 7.375 -0.953 0.438) 7.449 2.859 ( 7.819 0.482 1.906) 8.062 3.279 ( -40.643 -0.054 1.022) 40.656 3.349 ( -38.419 -1.753 -1.286) 38.481 4.555 ( 7.763 -0.979 -0.272) 7.829 4.590 ( 7.319 -0.714 -0.315) 7.361 4.840 ( -6.822 -0.271 0.084) 6.828 4.857 ( -6.865 0.005 0.076) 6.865 4.898 ( -5.446 -0.891 -0.599) 5.551 4.942 ( -5.304 0.935 1.112) 5.500 5.754 ( 19.964 -0.046 0.063) 19.964 5.761 ( 20.088 -0.150 -0.122) 20.089 6.714 ( -1.162 0.457 -0.142) 1.256 6.726 ( -1.035 0.831 0.166) 1.338 6.805 ( -0.667 -0.140 0.883) 1.115 6.851 ( -1.079 -0.712 -0.788) 1.514 7.329 ( 1.846 -0.148 0.712) 1.984 7.369 ( 1.969 -0.681 -0.763) 2.219 8.138 ( -5.843 0.417 0.155) 5.860 8.152 ( -5.445 0.276 -0.118) 5.453 12.519 ( 0.953 0.225 0.219) 1.003 12.526 ( -0.007 0.049 -0.009) 0.051 12.981 ( -0.507 0.670 0.802) 1.162 13.039 ( -0.675 -1.414 0.339) 1.603 13.088 ( 1.311 0.440 -1.589) 2.106 13.169 ( 0.161 1.071 -2.571) 2.790 13.306 ( -1.312 -3.796 3.391) 5.256 13.580 ( 0.810 0.569 -1.477) 1.778 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -8.963 0.168 0.740) 8.995 1.258 ( -7.358 -2.720 -0.574) 7.866 1.368 ( -4.652 -2.771 0.774) 5.470 1.436 ( -6.957 -1.258 -1.567) 7.242 1.522 ( -0.773 -0.404 -1.478) 1.716 1.632 ( 0.610 1.866 1.526) 2.487 1.679 ( -2.597 0.095 2.935) 3.920 1.748 ( 5.234 0.994 0.823) 5.391 1.824 ( -1.675 0.483 1.698) 2.434 1.865 ( 0.377 0.158 3.315) 3.340 1.903 ( 7.541 1.727 -2.664) 8.182 1.961 ( 2.430 1.423 -2.208) 3.578 2.013 ( 4.088 0.320 -1.530) 4.377 2.112 ( 7.756 1.339 -1.202) 7.962 2.151 ( 5.060 0.951 1.245) 5.297 2.272 ( -0.154 1.475 -2.773) 3.144 2.488 ( 4.931 2.331 3.593) 6.531 2.566 ( 6.264 -5.154 -0.805) 8.152 2.600 ( 2.368 -0.751 -1.976) 3.174 2.678 ( 3.428 0.284 0.103) 3.441 2.868 ( -9.462 1.286 1.423) 9.655 2.913 ( -7.712 1.382 0.084) 7.835 4.003 ( -37.210 -0.099 0.782) 37.218 4.033 ( -36.277 -0.913 -0.698) 36.295 4.413 ( 6.131 -1.048 -0.399) 6.233 4.462 ( 5.618 -0.187 -0.022) 5.621 4.937 ( -3.820 -0.231 0.052) 3.827 4.952 ( -3.522 -0.005 -0.001) 3.522 4.966 ( -2.933 -0.625 -0.277) 3.012 5.029 ( -2.845 0.646 0.627) 2.984 5.335 ( 25.494 -0.072 -0.157) 25.495 5.345 ( 25.077 0.179 0.059) 25.077 6.738 ( -0.907 0.650 0.110) 1.121 6.750 ( -0.859 0.483 -0.294) 1.028 6.817 ( -0.267 -0.134 1.023) 1.066 6.854 ( -0.327 -0.716 -0.841) 1.152 7.310 ( 0.597 -0.190 0.486) 0.793 7.340 ( 0.611 -0.344 -0.464) 0.841 8.220 ( -3.054 -0.005 -0.147) 3.057 8.233 ( -3.078 0.330 0.188) 3.102 12.509 ( 0.504 0.204 0.376) 0.662 12.527 ( -0.076 0.080 -0.173) 0.205 12.989 ( -0.025 -0.204 0.548) 0.586 13.044 ( -0.514 -1.082 -0.620) 1.349 13.067 ( 0.688 0.524 0.511) 1.005 13.161 ( 0.520 1.617 -1.869) 2.526 13.312 ( -0.667 -2.815 1.880) 3.450 13.563 ( 0.807 0.328 -0.548) 1.029 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -1.580 0.112 -0.138) 1.590 1.339 ( -4.059 -1.150 -2.207) 4.761 1.366 ( 4.334 0.009 0.974) 4.442 1.449 ( 0.854 -0.008 3.478) 3.581 1.596 ( 1.159 1.670 -3.580) 4.117 1.649 ( -1.835 -0.830 1.657) 2.608 1.693 ( 2.204 1.184 0.057) 2.503 1.722 ( 2.176 0.262 -1.808) 2.841 1.785 ( -2.239 -1.386 2.810) 3.851 1.850 ( 1.425 -0.659 -1.492) 2.166 1.883 ( 3.454 -0.379 -1.624) 3.836 1.919 ( -0.689 0.765 -0.089) 1.034 1.952 ( -4.650 0.038 2.648) 5.351 2.061 ( -1.046 0.134 -0.300) 1.096 2.095 ( 0.241 -1.094 -0.423) 1.198 2.284 ( -0.440 1.437 0.075) 1.504 2.445 ( 1.503 -5.741 -1.832) 6.211 2.487 ( -1.020 3.683 2.614) 4.629 2.593 ( -1.072 1.498 -1.046) 2.119 2.628 ( 1.316 0.062 0.188) 1.331 2.971 ( 0.523 -0.180 -0.038) 0.555 3.000 ( -0.265 -0.310 0.071) 0.414 4.339 ( 0.205 -0.398 -0.014) 0.448 4.396 ( -0.251 0.075 -0.009) 0.262 4.482 ( 1.141 0.187 0.143) 1.165 4.503 ( -1.286 0.187 -0.121) 1.305 4.956 ( 0.441 0.102 0.059) 0.457 4.962 ( 0.029 0.009 -0.091) 0.096 4.980 ( 0.237 -0.234 -0.191) 0.384 4.992 ( -0.939 -0.323 0.471) 1.100 5.012 ( 0.204 -0.044 -0.291) 0.358 5.058 ( 0.138 0.246 0.044) 0.285 6.750 ( 0.082 -0.194 0.067) 0.221 6.761 ( -0.279 0.174 -0.093) 0.342 6.816 ( 0.484 -0.397 0.044) 0.628 6.855 ( -0.293 0.425 -0.018) 0.516 7.303 ( 0.135 -0.188 0.001) 0.231 7.334 ( -0.135 0.148 -0.001) 0.201 8.248 ( -0.159 -0.129 0.000) 0.205 8.262 ( 0.134 0.010 -0.000) 0.134 12.504 ( 0.099 -0.273 -0.002) 0.290 12.528 ( -0.062 0.091 0.003) 0.110 12.990 ( -0.080 -0.343 0.637) 0.729 13.030 ( -0.184 -1.636 -2.247) 2.786 13.079 ( -0.086 1.154 2.622) 2.866 13.161 ( 0.323 2.273 -1.271) 2.624 13.304 ( -0.013 -2.110 0.283) 2.129 13.557 ( -0.090 0.309 -0.025) 0.323 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 13.139 -2.572 -0.713) 13.407 1.271 ( 7.197 3.992 0.704) 8.260 1.351 ( 3.064 3.829 -0.821) 4.972 1.477 ( 4.241 2.205 2.179) 5.254 1.541 ( -1.681 0.138 -0.007) 1.687 1.619 ( 1.157 -2.457 1.804) 3.260 1.639 ( 1.928 -1.491 -1.431) 2.826 1.712 ( 1.099 -1.397 -4.701) 5.026 1.789 ( -1.114 0.453 -0.103) 1.207 1.829 ( -3.352 0.002 -1.220) 3.567 1.949 ( -6.080 -2.817 2.039) 7.004 1.980 ( -2.715 -0.301 0.073) 2.732 2.052 ( -2.968 -0.810 2.144) 3.750 2.118 ( -4.913 -0.004 -0.773) 4.973 2.138 ( -7.486 -3.293 -0.002) 8.179 2.317 ( -1.566 0.457 2.013) 2.591 2.434 ( -5.717 -3.486 -2.276) 7.073 2.579 ( -4.278 4.085 0.551) 5.941 2.632 ( -3.481 1.243 1.794) 4.108 2.666 ( -4.839 1.232 -1.260) 5.150 2.845 ( 11.174 -1.841 -0.894) 11.360 2.912 ( 8.221 -1.924 -0.026) 8.443 3.993 ( 37.331 -0.134 -0.292) 37.332 4.041 ( 35.726 1.154 0.232) 35.746 4.420 ( -6.012 0.437 0.317) 6.037 4.462 ( -5.554 0.985 -0.048) 5.641 4.936 ( 3.782 0.049 -0.032) 3.783 4.953 ( 3.553 0.077 0.035) 3.554 4.971 ( 2.153 -0.312 0.207) 2.185 5.018 ( 3.639 0.075 -0.459) 3.668 5.338 ( -25.250 -0.151 0.141) 25.251 5.344 ( -25.280 -0.095 -0.082) 25.280 6.737 ( 0.701 -0.819 -0.006) 1.078 6.754 ( 1.075 -0.528 0.134) 1.205 6.803 ( 0.382 0.018 -0.440) 0.583 6.864 ( 0.231 1.045 0.314) 1.115 7.304 ( -0.415 -0.076 -0.214) 0.473 7.346 ( -0.826 0.539 0.201) 1.007 8.224 ( 2.941 -0.179 0.253) 2.957 8.229 ( 3.137 -0.323 -0.279) 3.166 12.504 ( -0.522 -0.513 -0.183) 0.754 12.529 ( 0.104 -0.015 0.059) 0.120 12.990 ( 0.001 -1.302 0.466) 1.383 13.018 ( -0.324 0.151 -1.568) 1.608 13.101 ( -0.657 -0.076 2.093) 2.195 13.175 ( -0.008 3.448 -0.204) 3.454 13.283 ( 0.734 -1.377 -1.004) 1.856 13.571 ( -1.062 0.330 0.277) 1.146 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 15.489 -5.770 -1.751) 16.621 1.101 ( 13.440 1.038 -0.268) 13.483 1.298 ( 6.620 3.605 0.745) 7.574 1.425 ( 1.581 0.280 2.532) 2.998 1.492 ( 4.360 -2.056 -0.621) 4.860 1.626 ( -1.253 -0.212 -0.537) 1.380 1.630 ( 3.465 0.598 -1.114) 3.688 1.681 ( -4.064 -1.843 -1.080) 4.591 1.865 ( -3.258 3.120 0.471) 4.536 1.910 ( -4.380 2.173 0.160) 4.892 1.964 ( 5.314 -2.086 -0.463) 5.727 2.024 ( -4.447 -1.933 -0.125) 4.851 2.082 ( -5.213 -4.671 0.927) 7.061 2.206 ( -5.004 -0.416 -0.261) 5.028 2.245 ( -2.922 -0.214 0.469) 2.967 2.338 ( -0.257 -1.079 0.544) 1.235 2.551 ( 13.183 -2.822 0.298) 13.485 2.584 ( -7.510 -3.009 1.196) 8.178 2.620 ( 6.180 1.203 -1.844) 6.561 2.767 ( -9.070 -0.338 0.247) 9.079 2.801 ( -4.835 0.398 -0.164) 4.854 2.834 ( -11.057 2.196 -0.610) 11.290 3.269 ( 40.813 -0.277 -0.211) 40.814 3.364 ( 38.274 2.205 0.296) 38.338 4.559 ( -7.864 0.586 0.101) 7.887 4.594 ( -7.357 1.255 0.085) 7.464 4.839 ( 6.748 0.098 -0.026) 6.749 4.856 ( 7.029 0.043 -0.007) 7.029 4.911 ( 4.732 0.057 0.891) 4.816 4.922 ( 6.023 -0.277 -1.072) 6.124 5.753 ( -19.942 -0.039 -0.012) 19.942 5.762 ( -20.151 0.163 0.031) 20.152 6.717 ( 0.740 -0.795 0.154) 1.097 6.723 ( 1.596 -0.631 -0.167) 1.724 6.795 ( 0.532 0.048 -0.197) 0.570 6.860 ( 1.220 0.880 0.173) 1.514 7.321 ( -1.856 0.019 -0.157) 1.862 7.377 ( -2.090 0.783 0.173) 2.238 8.136 ( 6.019 -0.571 -0.039) 6.047 8.153 ( 5.231 -0.157 0.027) 5.233 12.516 ( -1.246 -0.271 -0.056) 1.276 12.525 ( 0.187 -0.016 -0.008) 0.188 12.973 ( 0.403 -1.726 -0.129) 1.777 13.029 ( -0.297 1.662 -0.292) 1.713 13.118 ( -1.234 -1.495 0.896) 2.135 13.212 ( -0.176 3.686 2.305) 4.352 13.247 ( 1.663 0.255 -2.841) 3.301 13.598 ( -1.394 0.262 0.407) 1.476 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 14.598 -7.359 -0.000) 16.348 0.811 ( 17.341 -3.404 -0.000) 17.672 1.161 ( 9.301 -0.313 -0.000) 9.307 1.375 ( 7.602 -3.001 -0.000) 8.173 1.476 ( -5.285 0.589 0.000) 5.318 1.492 ( 13.750 -1.316 -0.000) 13.813 1.659 ( -1.634 0.641 0.000) 1.755 1.721 ( -0.750 -0.384 0.000) 0.843 1.731 ( 16.384 -3.484 -0.000) 16.750 1.908 ( 5.115 3.775 -0.000) 6.357 1.992 ( -1.986 3.282 0.000) 3.836 2.062 ( -0.447 -4.164 0.000) 4.188 2.137 ( -0.373 -4.215 0.000) 4.232 2.238 ( 2.650 4.036 -0.000) 4.828 2.252 ( 9.454 -2.099 -0.000) 9.685 2.279 ( -1.178 -3.301 0.000) 3.505 2.360 ( -2.993 -1.669 0.000) 3.427 2.390 ( 10.776 -1.320 -0.000) 10.856 2.606 ( 25.649 0.340 -0.000) 25.651 2.730 ( 14.936 6.067 -0.000) 16.121 2.886 ( -5.000 -3.466 0.000) 6.084 2.939 ( -9.363 -0.285 0.000) 9.367 2.992 ( -11.671 0.818 0.000) 11.699 3.076 ( -12.836 1.158 0.000) 12.888 4.691 ( 6.180 1.253 -0.000) 6.306 4.693 ( -5.666 0.722 0.000) 5.712 4.708 ( 8.816 -0.118 -0.000) 8.816 4.740 ( -4.326 0.221 0.000) 4.332 4.776 ( 8.297 -0.437 -0.000) 8.308 4.833 ( 4.629 0.174 -0.000) 4.632 6.050 ( -12.747 0.036 0.000) 12.747 6.064 ( -12.874 0.193 0.000) 12.876 6.690 ( 1.453 -0.229 -0.000) 1.471 6.705 ( 0.100 -0.661 0.000) 0.668 6.782 ( 0.755 -0.170 -0.000) 0.773 6.834 ( 2.093 0.391 -0.000) 2.130 7.378 ( -4.545 0.025 0.000) 4.545 7.437 ( -3.854 0.808 0.000) 3.938 8.008 ( 7.351 -0.547 -0.000) 7.371 8.038 ( 7.324 -0.045 -0.000) 7.324 12.523 ( -0.004 0.053 -0.000) 0.054 12.542 ( -1.537 0.108 0.000) 1.541 12.953 ( 0.640 -0.875 -0.000) 1.084 13.044 ( 0.101 1.793 -0.000) 1.796 13.132 ( -1.367 -1.669 0.000) 2.158 13.175 ( 3.731 -1.485 -0.000) 4.016 13.280 ( -1.327 6.025 -0.000) 6.170 13.622 ( -0.596 0.636 0.000) 0.871 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.197 ( -0.000 0.000 11.253) 11.253 0.226 ( -0.000 0.000 12.938) 12.938 0.476 ( -0.000 0.000 27.864) 27.864 0.646 ( 0.000 -0.000 -2.883) 2.883 0.857 ( 0.000 -0.000 -8.039) 8.039 1.417 ( -0.000 0.000 4.289) 4.289 1.500 ( 0.000 -0.000 -1.860) 1.860 1.650 ( 0.000 -0.000 -12.080) 12.080 1.712 ( -0.000 0.000 0.020) 0.020 1.772 ( -0.000 0.000 3.125) 3.125 1.916 ( 0.000 -0.000 -1.906) 1.906 2.050 ( 0.000 -0.000 -2.766) 2.766 2.069 ( -0.000 0.000 1.723) 1.723 2.101 ( 0.000 -0.000 -3.882) 3.882 2.181 ( 0.000 -0.000 -1.133) 1.133 2.279 ( 0.000 -0.000 -2.411) 2.411 2.376 ( -0.000 0.000 3.094) 3.094 2.425 ( -0.000 0.000 5.995) 5.995 2.444 ( -0.000 0.000 0.114) 0.114 2.611 ( 0.000 -0.000 -1.048) 1.048 3.208 ( -0.000 0.000 0.624) 0.624 3.244 ( 0.000 -0.000 -0.372) 0.372 3.284 ( -0.000 0.000 0.667) 0.667 3.332 ( 0.000 -0.000 -0.631) 0.631 4.504 ( -0.000 0.000 0.083) 0.083 4.514 ( 0.000 -0.000 -0.206) 0.206 4.528 ( -0.000 0.000 2.199) 2.199 4.706 ( 0.000 -0.000 -2.615) 2.615 4.822 ( -0.000 0.000 0.560) 0.560 4.865 ( 0.000 -0.000 -0.595) 0.595 6.244 ( -0.000 0.000 0.364) 0.364 6.277 ( 0.000 -0.000 -0.529) 0.529 6.714 ( -0.000 0.000 0.002) 0.002 6.714 ( -0.000 0.000 0.007) 0.007 6.762 ( -0.000 0.000 0.058) 0.058 6.766 ( 0.000 -0.000 -0.037) 0.037 7.545 ( -0.000 0.000 0.208) 0.208 7.567 ( 0.000 -0.000 -0.388) 0.388 7.798 ( 0.000 -0.000 -0.011) 0.011 7.799 ( 0.000 -0.000 -0.024) 0.024 12.531 ( -0.000 0.000 0.206) 0.206 12.571 ( 0.000 -0.000 -0.883) 0.883 12.843 ( -0.000 0.000 0.638) 0.638 12.922 ( 0.000 -0.000 -1.787) 1.787 13.062 ( -0.000 0.000 1.390) 1.390 13.139 ( 0.000 -0.000 -0.978) 0.978 13.361 ( -0.000 0.000 0.074) 0.074 13.378 ( 0.000 -0.000 -0.388) 0.388 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -16.143 2.457 8.736) 18.519 0.591 ( -6.741 4.451 19.076) 20.716 0.878 ( -14.351 3.214 -5.192) 15.596 0.989 ( -33.934 2.083 2.776) 34.111 1.053 ( -26.226 7.277 -1.010) 27.236 1.487 ( 2.852 -0.819 -7.873) 8.414 1.522 ( -7.064 1.087 1.436) 7.290 1.609 ( -6.771 -0.459 -5.532) 8.756 1.725 ( -1.221 -0.375 1.776) 2.187 1.785 ( -1.854 0.231 3.461) 3.933 1.933 ( 0.106 -4.770 -3.471) 5.900 1.986 ( -1.751 1.368 -2.683) 3.483 2.120 ( -4.215 0.972 1.609) 4.615 2.147 ( -5.755 0.932 -2.992) 6.552 2.226 ( -0.258 -2.122 4.501) 4.983 2.293 ( -2.127 0.560 -1.085) 2.453 2.315 ( 0.326 -2.161 0.357) 2.214 2.402 ( 6.131 6.035 -0.425) 8.613 2.436 ( -1.990 -3.925 3.138) 5.405 2.546 ( 2.199 0.927 -0.179) 2.393 3.083 ( 10.269 -1.510 0.793) 10.410 3.123 ( 9.315 1.871 0.962) 9.549 3.226 ( 8.078 -0.290 2.259) 8.393 3.272 ( 7.757 0.438 -0.468) 7.783 4.565 ( -6.425 -0.557 0.123) 6.450 4.566 ( -6.288 -0.105 0.422) 6.303 4.624 ( -7.568 -0.105 1.391) 7.695 4.735 ( -3.234 -0.283 -2.135) 3.886 4.795 ( 2.473 -0.168 0.545) 2.538 4.827 ( 3.534 -0.520 -0.627) 3.627 6.210 ( 5.090 -0.130 -0.177) 5.094 6.227 ( 5.651 0.161 -0.451) 5.671 6.687 ( 0.422 -0.711 0.875) 1.204 6.707 ( 0.641 0.591 0.070) 0.874 6.774 ( -0.912 -0.144 0.432) 1.019 6.793 ( -1.888 0.411 -0.168) 1.940 7.484 ( 6.242 -0.116 0.023) 6.243 7.506 ( 4.320 0.095 -0.967) 4.428 7.876 ( -6.885 0.143 0.228) 6.890 7.892 ( -7.754 0.089 -0.322) 7.761 12.529 ( 0.237 -0.020 0.291) 0.376 12.559 ( 0.821 -0.118 -0.801) 1.153 12.931 ( -2.160 -0.642 -0.519) 2.313 12.989 ( -5.210 -0.555 -4.198) 6.714 13.097 ( -2.304 1.288 0.366) 2.665 13.126 ( 1.121 0.918 -0.974) 1.746 13.353 ( 0.179 -4.429 0.483) 4.459 13.491 ( -7.133 2.032 -6.087) 9.595 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -8.786 3.316 14.064) 16.911 0.879 ( -13.815 3.726 5.399) 15.293 1.065 ( -11.040 1.327 -5.698) 12.495 1.274 ( -0.545 1.269 -9.409) 9.510 1.464 ( -4.291 0.463 1.785) 4.670 1.578 ( -14.441 3.026 0.741) 14.773 1.643 ( -3.309 -0.549 -0.474) 3.388 1.684 ( -2.908 1.429 1.350) 3.510 1.789 ( -4.211 -1.810 1.488) 4.819 1.891 ( -5.041 -2.128 0.195) 5.475 1.963 ( -4.287 -0.634 -0.028) 4.334 2.033 ( -5.702 3.128 -5.845) 8.745 2.143 ( 4.376 1.527 -1.681) 4.930 2.191 ( 8.312 1.734 2.592) 8.877 2.286 ( -10.709 1.988 2.216) 11.115 2.326 ( 0.805 -0.568 1.424) 1.732 2.364 ( -9.267 0.885 -1.739) 9.470 2.383 ( 3.076 1.667 0.717) 3.571 2.614 ( -25.681 -0.604 0.938) 25.705 2.694 ( -24.041 -3.126 -3.144) 24.446 2.867 ( 12.142 -0.230 1.283) 12.212 2.947 ( 10.354 -0.175 -0.723) 10.381 3.045 ( 11.603 -0.798 1.907) 11.786 3.083 ( 11.023 -0.221 0.747) 11.051 4.682 ( 2.105 -1.156 -0.343) 2.426 4.697 ( -3.365 -1.102 0.091) 3.542 4.715 ( -4.911 0.113 0.252) 4.918 4.724 ( -0.337 0.239 -0.534) 0.675 4.787 ( -6.215 -0.933 0.436) 6.300 4.838 ( -5.444 0.716 0.121) 5.493 6.050 ( 12.557 -0.077 0.081) 12.557 6.060 ( 12.833 -0.057 -0.245) 12.835 6.692 ( -0.905 -0.145 0.108) 0.923 6.709 ( -0.273 0.802 0.204) 0.872 6.794 ( -1.011 -0.122 0.789) 1.289 6.826 ( -1.695 -0.206 -0.600) 1.810 7.387 ( 4.164 -0.175 0.672) 4.222 7.421 ( 3.795 -0.484 -1.014) 3.957 8.014 ( -7.349 0.500 0.433) 7.378 8.032 ( -7.326 0.234 -0.447) 7.344 12.526 ( 0.167 -0.028 0.207) 0.267 12.538 ( 1.053 0.049 -0.282) 1.091 12.964 ( -1.407 0.275 0.967) 1.729 13.025 ( -2.007 -1.610 -1.795) 3.137 13.105 ( 1.512 0.946 -0.590) 1.878 13.140 ( -1.139 1.490 -1.847) 2.632 13.330 ( -1.182 -5.239 2.539) 5.941 13.559 ( -1.662 1.847 -3.355) 4.175 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -9.414 3.781 8.012) 12.927 1.124 ( -9.914 -1.214 1.106) 10.049 1.243 ( -10.164 -1.149 -2.482) 10.525 1.277 ( -5.514 0.606 -7.081) 8.995 1.522 ( -1.186 -0.884 1.060) 1.820 1.638 ( 0.753 2.253 -0.719) 2.482 1.678 ( -0.857 -2.183 3.972) 4.613 1.793 ( -2.968 0.415 4.827) 5.682 1.802 ( -1.665 -2.062 -4.343) 5.088 1.908 ( 3.452 -2.188 0.186) 4.091 2.007 ( 2.511 2.691 0.572) 3.725 2.016 ( 3.469 2.095 -0.222) 4.059 2.040 ( 7.979 2.670 -0.090) 8.414 2.160 ( -3.280 2.713 -3.709) 5.646 2.253 ( 6.670 0.557 1.226) 6.805 2.306 ( 5.887 0.802 -1.267) 6.075 2.529 ( -7.641 1.683 -0.691) 7.854 2.571 ( -10.032 2.795 0.029) 10.415 2.687 ( 4.689 -1.963 2.536) 5.681 2.742 ( 8.318 -1.954 -1.622) 8.697 2.810 ( 8.728 -1.385 0.299) 8.843 2.874 ( 6.470 1.528 1.484) 6.812 3.289 ( -40.526 -0.403 1.288) 40.549 3.338 ( -38.492 -1.332 -1.495) 38.544 4.553 ( 7.705 -1.237 -0.194) 7.806 4.588 ( 7.295 -0.374 -0.275) 7.310 4.841 ( -6.869 -0.385 0.068) 6.880 4.858 ( -6.752 0.087 0.089) 6.754 4.893 ( -5.549 -1.226 -0.386) 5.696 4.951 ( -5.215 1.125 0.764) 5.389 5.754 ( 19.996 -0.117 0.077) 19.996 5.759 ( 20.032 -0.123 -0.124) 20.033 6.713 ( -1.241 0.345 -0.072) 1.290 6.727 ( -0.878 0.860 0.085) 1.232 6.813 ( -0.796 -0.251 1.070) 1.357 6.844 ( -0.940 -0.556 -0.988) 1.473 7.336 ( 1.863 -0.261 0.898) 2.084 7.361 ( 1.873 -0.584 -0.939) 2.175 8.139 ( -5.680 0.285 0.152) 5.689 8.151 ( -5.632 0.385 -0.122) 5.646 12.521 ( 0.703 0.187 0.232) 0.763 12.525 ( 0.175 0.081 -0.060) 0.202 12.989 ( -0.599 0.009 1.244) 1.381 13.035 ( -1.137 -1.538 -1.445) 2.397 13.084 ( 1.256 0.571 0.720) 1.556 13.147 ( 0.401 1.965 -2.572) 3.261 13.331 ( -1.357 -4.575 2.488) 5.382 13.568 ( 0.472 1.216 -1.320) 1.855 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -7.048 -1.520 0.345) 7.218 1.254 ( -6.549 -1.346 -0.344) 6.695 1.372 ( -5.954 -2.641 0.261) 6.519 1.429 ( -10.404 -1.125 -0.311) 10.470 1.512 ( 0.675 -0.539 -0.845) 1.208 1.639 ( 1.162 2.363 0.368) 2.659 1.703 ( -2.444 -0.948 2.493) 3.618 1.757 ( 5.557 2.171 1.101) 6.067 1.833 ( -0.189 -0.785 0.918) 1.223 1.870 ( 2.528 -0.038 -2.533) 3.579 1.903 ( 3.017 1.857 2.561) 4.371 1.942 ( 1.813 2.050 -2.137) 3.472 2.006 ( 5.770 -0.067 -0.296) 5.778 2.101 ( 7.796 1.605 -1.112) 8.037 2.161 ( 5.520 -0.062 0.964) 5.604 2.251 ( -1.287 2.600 -1.917) 3.477 2.518 ( 4.462 1.379 3.408) 5.782 2.558 ( 6.245 -4.272 -1.072) 7.642 2.584 ( 3.052 -0.864 -1.795) 3.645 2.677 ( 2.761 0.428 -0.069) 2.795 2.878 ( -9.035 1.180 0.849) 9.151 2.914 ( -7.304 1.118 0.072) 7.389 4.010 ( -37.114 -0.283 0.910) 37.126 4.026 ( -36.553 -0.723 -0.861) 36.571 4.410 ( 6.151 -1.279 -0.222) 6.286 4.462 ( 5.667 0.122 -0.034) 5.669 4.937 ( -3.839 -0.319 0.033) 3.852 4.952 ( -3.478 0.066 0.022) 3.478 4.964 ( -3.205 -0.966 -0.175) 3.352 5.033 ( -2.596 0.862 0.368) 2.760 5.334 ( 25.566 -0.146 -0.090) 25.566 5.346 ( 25.025 0.190 0.029) 25.026 6.739 ( -1.083 0.576 0.135) 1.234 6.748 ( -0.679 0.470 -0.243) 0.861 6.826 ( -0.125 -0.306 1.077) 1.126 6.846 ( -0.461 -0.457 -0.970) 1.167 7.314 ( 0.759 -0.392 0.403) 0.945 7.336 ( 0.434 -0.172 -0.390) 0.608 8.219 ( -3.078 -0.073 -0.075) 3.079 8.234 ( -3.079 0.320 0.101) 3.097 12.512 ( 0.517 -0.004 0.290) 0.593 12.525 ( -0.084 0.180 -0.164) 0.258 12.996 ( -0.019 -0.586 1.067) 1.217 13.029 ( -0.460 -1.802 -2.031) 2.754 13.083 ( 0.208 0.818 2.278) 2.430 13.143 ( 0.767 3.013 -2.175) 3.795 13.325 ( -0.602 -3.964 1.175) 4.178 13.559 ( 0.687 0.685 -0.374) 1.040 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -1.553 -0.138 0.387) 1.606 1.322 ( -4.789 -0.668 -1.478) 5.056 1.373 ( 4.545 -0.897 0.529) 4.663 1.479 ( 0.854 -0.314 2.657) 2.809 1.566 ( 2.025 2.193 -2.615) 3.968 1.660 ( -4.504 0.303 0.839) 4.591 1.693 ( 4.185 2.433 0.082) 4.842 1.709 ( 3.061 -1.919 -1.014) 3.753 1.807 ( -1.776 -1.085 1.828) 2.770 1.836 ( 3.758 -0.840 -1.395) 4.095 1.876 ( 1.154 -0.237 -0.237) 1.202 1.915 ( -1.487 0.193 -0.524) 1.588 1.972 ( -4.561 0.247 1.478) 4.801 2.057 ( -1.738 0.716 -0.308) 1.905 2.091 ( 0.419 -2.151 -0.253) 2.206 2.285 ( -0.720 2.367 0.047) 2.475 2.435 ( 1.719 -6.311 -0.664) 6.575 2.505 ( -0.944 2.579 1.304) 3.040 2.584 ( -1.377 2.744 -0.775) 3.166 2.630 ( 1.788 0.145 0.087) 1.796 2.971 ( 0.826 -0.296 -0.023) 0.877 3.001 ( -0.408 -0.496 0.043) 0.644 4.339 ( 0.330 -0.644 -0.009) 0.723 4.395 ( -0.403 0.121 -0.005) 0.421 4.483 ( 2.069 0.297 0.097) 2.093 4.502 ( -2.305 0.307 -0.084) 2.327 4.956 ( 0.837 0.206 0.048) 0.863 4.961 ( -0.084 -0.038 -0.069) 0.115 4.978 ( 0.184 -0.363 -0.079) 0.414 4.996 ( -1.594 -0.652 0.330) 1.754 5.010 ( 0.617 0.065 -0.256) 0.672 5.059 ( 0.219 0.388 0.026) 0.446 6.750 ( 0.163 -0.349 0.047) 0.388 6.760 ( -0.477 0.316 -0.063) 0.576 6.816 ( 0.784 -0.647 0.027) 1.017 6.855 ( -0.479 0.693 -0.011) 0.843 7.303 ( 0.219 -0.304 0.001) 0.374 7.334 ( -0.219 0.240 -0.001) 0.325 8.248 ( -0.257 -0.209 0.000) 0.331 8.262 ( 0.216 0.016 -0.000) 0.217 12.504 ( 0.159 -0.442 -0.001) 0.470 12.528 ( -0.101 0.147 0.002) 0.178 12.997 ( -0.120 -0.364 1.080) 1.146 13.013 ( -0.237 -1.896 -1.658) 2.530 13.098 ( -0.417 0.192 1.607) 1.671 13.149 ( 0.725 4.280 -1.180) 4.499 13.306 ( -0.016 -3.286 0.166) 3.290 13.557 ( -0.146 0.502 -0.016) 0.523 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 13.697 -2.822 -0.000) 13.985 1.274 ( 7.161 3.895 -0.000) 8.151 1.347 ( 2.812 4.229 -0.000) 5.079 1.487 ( 5.556 2.669 -0.000) 6.164 1.540 ( -4.423 -0.236 0.000) 4.430 1.631 ( 1.760 -1.533 -0.000) 2.334 1.638 ( 1.830 -3.662 -0.000) 4.094 1.683 ( 2.369 -0.541 -0.000) 2.430 1.790 ( -1.621 0.737 0.000) 1.781 1.823 ( -3.505 -0.120 0.000) 3.507 1.958 ( -6.040 -3.475 0.000) 6.968 1.979 ( -2.371 0.336 0.000) 2.395 2.062 ( -3.254 -0.974 0.000) 3.396 2.113 ( -4.082 0.142 0.000) 4.085 2.138 ( -8.136 -3.484 0.000) 8.851 2.326 ( -1.789 0.955 0.000) 2.028 2.423 ( -5.859 -3.846 0.000) 7.009 2.581 ( -3.796 3.818 0.000) 5.384 2.643 ( -3.906 0.281 0.000) 3.917 2.658 ( -5.039 2.613 0.000) 5.677 2.841 ( 11.532 -1.988 -0.000) 11.702 2.912 ( 8.278 -2.013 -0.000) 8.520 3.992 ( 37.346 -0.165 -0.000) 37.347 4.042 ( 35.634 1.185 -0.000) 35.654 4.421 ( -5.981 0.307 0.000) 5.989 4.462 ( -5.552 1.149 0.000) 5.670 4.936 ( 3.776 0.020 -0.000) 3.776 4.953 ( 3.555 0.088 -0.000) 3.556 4.972 ( 1.963 -0.535 -0.000) 2.034 5.016 ( 3.835 0.259 -0.000) 3.844 5.339 ( -25.166 -0.218 0.000) 25.167 5.343 ( -25.357 -0.050 0.000) 25.357 6.737 ( 0.672 -0.850 -0.000) 1.084 6.754 ( 1.105 -0.537 -0.000) 1.228 6.802 ( 0.396 0.012 -0.000) 0.396 6.865 ( 0.220 1.091 -0.000) 1.113 7.303 ( -0.392 -0.111 0.000) 0.408 7.347 ( -0.854 0.562 0.000) 1.023 8.226 ( 2.591 -0.217 -0.000) 2.600 8.227 ( 3.478 -0.315 -0.000) 3.492 12.503 ( -0.526 -0.557 0.000) 0.767 12.529 ( 0.110 -0.012 -0.000) 0.111 12.993 ( 0.088 -2.269 0.000) 2.271 13.010 ( -0.481 1.009 0.000) 1.118 13.111 ( -0.847 -0.912 0.000) 1.245 13.174 ( 0.228 5.275 -0.000) 5.280 13.279 ( 0.715 -2.437 -0.000) 2.539 13.572 ( -1.105 0.429 0.000) 1.185 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -0.000 0.000 10.351) 10.351 0.331 ( -0.000 0.000 11.688) 11.688 0.617 ( 0.000 -0.000 -3.740) 3.740 0.710 ( -0.000 0.000 27.223) 27.223 0.781 ( 0.000 -0.000 -9.700) 9.700 1.450 ( -0.000 0.000 3.175) 3.175 1.487 ( 0.000 -0.000 -1.289) 1.289 1.520 ( 0.000 -0.000 -18.234) 18.234 1.719 ( -0.000 0.000 1.788) 1.788 1.794 ( -0.000 0.000 1.778) 1.778 1.913 ( -0.000 0.000 1.082) 1.082 2.023 ( 0.000 -0.000 -3.608) 3.608 2.070 ( 0.000 -0.000 -3.189) 3.189 2.078 ( -0.000 0.000 0.286) 0.286 2.176 ( -0.000 0.000 0.209) 0.209 2.258 ( 0.000 -0.000 -2.637) 2.637 2.400 ( -0.000 0.000 2.604) 2.604 2.444 ( 0.000 -0.000 -0.146) 0.146 2.475 ( -0.000 0.000 5.661) 5.661 2.599 ( 0.000 -0.000 -1.754) 1.754 3.214 ( -0.000 0.000 0.798) 0.798 3.240 ( 0.000 -0.000 -0.549) 0.549 3.291 ( -0.000 0.000 0.915) 0.915 3.326 ( 0.000 -0.000 -0.879) 0.879 4.505 ( -0.000 0.000 0.135) 0.135 4.512 ( 0.000 -0.000 -0.257) 0.257 4.550 ( -0.000 0.000 3.106) 3.106 4.680 ( 0.000 -0.000 -3.521) 3.521 4.828 ( -0.000 0.000 0.776) 0.776 4.859 ( 0.000 -0.000 -0.811) 0.811 6.248 ( -0.000 0.000 0.534) 0.534 6.272 ( 0.000 -0.000 -0.699) 0.699 6.714 ( -0.000 0.000 0.002) 0.002 6.714 ( -0.000 0.000 0.007) 0.007 6.763 ( -0.000 0.000 0.076) 0.076 6.765 ( 0.000 -0.000 -0.055) 0.055 7.548 ( -0.000 0.000 0.319) 0.319 7.564 ( 0.000 -0.000 -0.499) 0.499 7.798 ( 0.000 -0.000 -0.009) 0.009 7.798 ( 0.000 -0.000 -0.027) 0.027 12.533 ( -0.000 0.000 0.410) 0.410 12.563 ( 0.000 -0.000 -1.087) 1.087 12.850 ( -0.000 0.000 0.999) 0.999 12.906 ( 0.000 -0.000 -2.024) 2.024 13.075 ( -0.000 0.000 1.616) 1.616 13.129 ( 0.000 -0.000 -1.328) 1.328 13.362 ( -0.000 0.000 0.159) 0.159 13.374 ( 0.000 -0.000 -0.474) 0.474 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -15.143 2.909 8.903) 17.806 0.741 ( -10.747 2.247 13.606) 17.484 0.830 ( -8.110 2.758 -3.829) 9.383 1.001 ( -29.590 2.364 -1.720) 29.734 1.067 ( -29.016 7.227 6.195) 30.537 1.399 ( 1.519 0.766 -12.632) 12.746 1.531 ( -6.484 0.542 0.399) 6.519 1.565 ( -7.761 0.109 -4.147) 8.800 1.750 ( -2.595 -0.607 3.939) 4.756 1.808 ( -2.168 -0.114 1.931) 2.906 1.906 ( 1.171 -5.305 -2.896) 6.157 1.967 ( -0.390 2.053 -1.904) 2.827 2.124 ( -5.274 -0.226 -0.748) 5.331 2.138 ( -5.422 1.474 0.878) 5.687 2.247 ( -5.459 -2.365 0.757) 5.997 2.281 ( -3.821 0.796 -1.680) 4.249 2.318 ( 3.391 -2.713 0.588) 4.383 2.403 ( 7.831 6.728 0.521) 10.338 2.460 ( -0.426 -5.194 2.339) 5.712 2.545 ( 3.298 1.777 -0.121) 3.748 3.090 ( 10.153 -2.029 0.745) 10.380 3.128 ( 9.592 1.887 0.392) 9.784 3.243 ( 7.312 -0.375 1.605) 7.496 3.268 ( 7.434 0.171 -0.543) 7.456 4.566 ( -6.468 -0.540 0.153) 6.492 4.569 ( -6.360 -0.299 0.116) 6.368 4.640 ( -6.888 -0.178 2.283) 7.259 4.714 ( -4.168 -0.137 -2.744) 4.992 4.800 ( 2.711 -0.247 0.690) 2.808 4.821 ( 3.387 -0.471 -0.778) 3.507 6.210 ( 5.148 -0.073 0.123) 5.150 6.223 ( 5.526 0.262 -0.515) 5.556 6.692 ( 0.536 -0.848 0.467) 1.107 6.707 ( 0.614 0.652 0.064) 0.898 6.778 ( -1.242 -0.363 0.362) 1.343 6.791 ( -1.727 0.488 -0.179) 1.803 7.484 ( 5.806 -0.275 0.040) 5.813 7.499 ( 4.777 0.485 -0.610) 4.840 7.879 ( -7.042 0.146 0.312) 7.051 7.889 ( -7.599 0.142 -0.394) 7.610 12.532 ( 0.277 -0.013 0.478) 0.553 12.551 ( 0.645 -0.047 -0.890) 1.101 12.927 ( -3.145 -0.628 -0.325) 3.224 12.959 ( -5.487 -0.025 -2.882) 6.198 13.100 ( -1.372 1.151 0.508) 1.862 13.118 ( 0.897 0.898 -0.864) 1.536 13.358 ( -0.723 -4.502 0.482) 4.585 13.452 ( -5.714 3.241 -3.329) 7.364 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -11.799 1.052 9.191) 14.993 0.942 ( -6.946 4.229 9.745) 12.693 1.019 ( -11.774 1.684 -4.317) 12.653 1.181 ( -0.836 1.873 -12.270) 12.441 1.485 ( -5.418 0.302 2.784) 6.099 1.565 ( -10.632 3.257 -2.752) 11.455 1.647 ( -6.066 -0.946 0.764) 6.187 1.699 ( -6.188 2.461 1.701) 6.873 1.798 ( -0.438 -5.036 0.599) 5.090 1.901 ( -7.197 -0.285 1.891) 7.446 1.960 ( -7.251 0.889 -0.875) 7.358 1.990 ( -3.667 2.717 -4.058) 6.107 2.126 ( 4.943 0.601 -1.700) 5.262 2.213 ( 9.974 2.542 2.021) 10.490 2.306 ( -9.919 1.551 2.451) 10.334 2.336 ( 0.762 -0.605 0.805) 1.263 2.347 ( -8.976 0.889 -2.182) 9.280 2.387 ( 2.575 1.647 0.316) 3.073 2.624 ( -25.684 -1.041 1.626) 25.757 2.667 ( -24.691 -1.911 -3.060) 24.953 2.880 ( 11.027 -1.506 1.344) 11.211 2.941 ( 11.272 0.059 -0.783) 11.299 3.055 ( 12.581 -1.613 0.681) 12.702 3.090 ( 9.964 0.612 0.744) 10.010 4.679 ( 2.308 -1.267 -0.180) 2.639 4.698 ( -3.632 -1.229 0.057) 3.835 4.714 ( -0.038 0.452 -0.331) 0.562 4.723 ( -4.997 0.158 0.198) 5.003 4.790 ( -6.039 -1.503 0.245) 6.228 4.839 ( -5.878 1.162 0.015) 5.991 6.051 ( 12.503 -0.132 0.111) 12.504 6.058 ( 12.809 0.029 -0.209) 12.811 6.693 ( -0.775 -0.230 0.061) 0.811 6.710 ( -0.296 0.817 0.115) 0.876 6.800 ( -1.265 -0.368 0.743) 1.512 6.821 ( -1.394 -0.004 -0.620) 1.525 7.393 ( 3.873 -0.324 0.761) 3.960 7.413 ( 3.947 -0.277 -0.964) 4.073 8.018 ( -7.333 0.456 0.517) 7.365 8.027 ( -7.349 0.328 -0.528) 7.375 12.528 ( 0.322 -0.055 0.214) 0.391 12.536 ( 0.775 0.147 -0.258) 0.830 12.974 ( -1.899 -0.188 1.364) 2.346 13.008 ( -2.315 -1.196 -2.062) 3.322 13.105 ( 1.145 0.800 0.398) 1.452 13.125 ( -0.264 1.604 -1.609) 2.287 13.349 ( -1.884 -5.587 1.657) 6.124 13.535 ( -2.070 2.940 -2.149) 4.189 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -6.452 2.450 6.445) 9.443 1.128 ( -7.508 0.019 -0.730) 7.543 1.221 ( -10.774 -0.426 -4.076) 11.527 1.230 ( -9.571 -0.054 -1.736) 9.727 1.529 ( -0.389 -1.291 0.412) 1.409 1.633 ( -0.182 2.677 -0.350) 2.705 1.714 ( -0.785 -2.993 4.271) 5.274 1.763 ( -3.090 -1.682 -4.425) 5.653 1.824 ( -3.222 -0.056 2.105) 3.849 1.909 ( 3.422 -2.009 0.093) 3.969 1.994 ( 8.721 4.747 -1.259) 10.009 2.032 ( 1.620 0.479 1.779) 2.453 2.040 ( 5.569 1.616 -0.123) 5.800 2.134 ( -4.059 4.066 -2.008) 6.086 2.262 ( 6.459 0.341 0.635) 6.499 2.298 ( 7.004 0.855 -0.627) 7.084 2.525 ( -7.861 1.530 -0.235) 8.012 2.571 ( -10.560 2.840 0.026) 10.936 2.706 ( 5.000 -2.263 2.058) 5.861 2.727 ( 8.248 -2.139 -1.748) 8.699 2.812 ( 9.428 -1.623 0.104) 9.567 2.883 ( 5.805 2.031 0.551) 6.175 3.299 ( -40.630 -0.885 0.949) 40.651 3.326 ( -38.347 -0.807 -1.026) 38.369 4.552 ( 7.669 -1.407 -0.068) 7.798 4.586 ( 7.280 -0.156 -0.110) 7.283 4.841 ( -6.899 -0.459 0.026) 6.915 4.858 ( -6.678 0.167 0.041) 6.680 4.891 ( -5.600 -1.434 -0.137) 5.783 4.955 ( -5.178 1.221 0.272) 5.327 5.755 ( 20.037 -0.186 0.044) 20.038 5.759 ( 19.976 -0.083 -0.062) 19.976 6.713 ( -1.279 0.285 -0.020) 1.310 6.728 ( -0.794 0.870 0.024) 1.178 6.822 ( -1.029 -0.450 0.922) 1.453 6.835 ( -0.698 -0.331 -0.890) 1.178 7.344 ( 1.973 -0.406 0.938) 2.222 7.353 ( 1.714 -0.449 -0.954) 2.012 8.140 ( -5.530 0.170 0.069) 5.533 8.150 ( -5.796 0.487 -0.057) 5.816 12.523 ( 0.370 0.139 0.169) 0.429 12.525 ( 0.466 0.126 -0.103) 0.493 13.001 ( -0.646 -0.449 1.513) 1.705 13.020 ( -1.054 -1.410 -1.803) 2.520 13.095 ( 0.608 0.102 1.351) 1.485 13.127 ( 0.791 2.840 -1.788) 3.448 13.346 ( -1.394 -5.081 0.937) 5.351 13.560 ( 0.272 1.708 -0.546) 1.813 ======================= Grid point 38 (27/171) ======================= q-point: (-0.30 -0.70 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -6.452 -2.260 0.000) 6.837 1.253 ( -5.910 -0.722 0.000) 5.954 1.373 ( -6.793 -2.601 0.000) 7.274 1.428 ( -11.834 -1.113 0.000) 11.886 1.508 ( 1.427 -0.583 -0.000) 1.542 1.640 ( 1.467 2.436 -0.000) 2.844 1.715 ( -1.988 -1.111 0.000) 2.277 1.762 ( 4.837 2.673 -0.000) 5.526 1.845 ( 4.207 -1.142 -0.000) 4.359 1.849 ( -0.579 -0.517 0.000) 0.776 1.918 ( 2.138 2.045 -0.000) 2.959 1.929 ( 1.245 2.321 -0.000) 2.634 2.005 ( 6.375 -0.326 -0.000) 6.383 2.096 ( 7.825 1.781 -0.000) 8.025 2.165 ( 5.937 -0.668 -0.000) 5.974 2.243 ( -1.935 3.249 0.000) 3.782 2.543 ( 3.338 -1.721 -0.000) 3.756 2.544 ( 6.073 0.358 -0.000) 6.083 2.575 ( 4.436 -2.420 -0.000) 5.053 2.677 ( 2.512 0.435 -0.000) 2.549 2.881 ( -8.953 1.160 0.000) 9.028 2.914 ( -7.093 1.010 0.000) 7.165 4.017 ( -37.204 -0.450 0.000) 37.207 4.020 ( -36.530 -0.554 0.000) 36.534 4.409 ( 6.153 -1.364 -0.000) 6.303 4.462 ( 5.689 0.236 -0.000) 5.694 4.937 ( -3.847 -0.353 0.000) 3.863 4.952 ( -3.450 0.112 0.000) 3.452 4.963 ( -3.309 -1.103 0.000) 3.488 5.034 ( -2.512 0.934 0.000) 2.680 5.334 ( 25.591 -0.174 -0.000) 25.591 5.346 ( 25.007 0.193 -0.000) 25.008 6.740 ( -1.219 0.544 0.000) 1.335 6.746 ( -0.541 0.469 0.000) 0.717 6.832 ( 0.275 -0.633 -0.000) 0.690 6.840 ( -0.858 -0.098 0.000) 0.863 7.316 ( 0.869 -0.519 -0.000) 1.012 7.334 ( 0.319 -0.057 -0.000) 0.324 8.219 ( -3.086 -0.098 0.000) 3.087 8.235 ( -3.080 0.315 0.000) 3.096 12.513 ( 0.538 -0.125 -0.000) 0.553 12.524 ( -0.103 0.259 0.000) 0.279 13.004 ( 0.191 -0.439 -0.000) 0.479 13.017 ( -0.671 -2.126 0.000) 2.229 13.096 ( -0.207 -0.015 0.000) 0.208 13.131 ( 1.118 4.176 -0.000) 4.323 13.330 ( -0.576 -4.346 0.000) 4.384 13.557 ( 0.641 0.836 -0.000) 1.053 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -0.000 0.000 8.594) 8.594 0.414 ( -0.000 0.000 6.945) 6.945 0.591 ( 0.000 -0.000 -1.206) 1.206 0.696 ( 0.000 -0.000 -10.078) 10.078 0.936 ( -0.000 0.000 26.163) 26.163 1.348 ( 0.000 -0.000 -22.061) 22.061 1.468 ( -0.000 0.000 1.361) 1.361 1.479 ( 0.000 -0.000 -0.584) 0.584 1.743 ( -0.000 0.000 3.604) 3.604 1.797 ( 0.000 -0.000 -1.219) 1.219 1.930 ( -0.000 0.000 2.806) 2.806 1.991 ( 0.000 -0.000 -3.926) 3.926 2.053 ( 0.000 -0.000 -0.704) 0.704 2.072 ( 0.000 -0.000 -1.614) 1.614 2.187 ( -0.000 0.000 2.174) 2.174 2.234 ( 0.000 -0.000 -2.916) 2.916 2.419 ( -0.000 0.000 1.944) 1.944 2.441 ( 0.000 -0.000 -0.621) 0.621 2.519 ( -0.000 0.000 4.701) 4.701 2.581 ( 0.000 -0.000 -2.618) 2.618 3.221 ( -0.000 0.000 0.856) 0.856 3.235 ( 0.000 -0.000 -0.703) 0.703 3.299 ( -0.000 0.000 1.069) 1.069 3.318 ( 0.000 -0.000 -1.047) 1.047 4.506 ( -0.000 0.000 0.191) 0.191 4.510 ( 0.000 -0.000 -0.266) 0.266 4.580 ( -0.000 0.000 3.767) 3.767 4.648 ( 0.000 -0.000 -4.024) 4.024 4.835 ( -0.000 0.000 0.921) 0.921 4.852 ( 0.000 -0.000 -0.942) 0.942 6.253 ( -0.000 0.000 0.675) 0.675 6.266 ( 0.000 -0.000 -0.778) 0.778 6.714 ( -0.000 0.000 0.001) 0.001 6.714 ( -0.000 0.000 0.005) 0.005 6.764 ( -0.000 0.000 0.083) 0.083 6.765 ( 0.000 -0.000 -0.070) 0.070 7.551 ( -0.000 0.000 0.424) 0.424 7.559 ( 0.000 -0.000 -0.535) 0.535 7.798 ( 0.000 -0.000 -0.001) 0.001 7.798 ( 0.000 -0.000 -0.021) 0.021 12.538 ( -0.000 0.000 0.670) 0.670 12.553 ( 0.000 -0.000 -1.088) 1.088 12.860 ( -0.000 0.000 1.372) 1.372 12.889 ( 0.000 -0.000 -1.962) 1.962 13.089 ( -0.000 0.000 1.689) 1.689 13.117 ( 0.000 -0.000 -1.554) 1.554 13.364 ( -0.000 0.000 0.274) 0.274 13.370 ( 0.000 -0.000 -0.469) 0.469 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -14.130 2.334 8.653) 16.732 0.737 ( -12.538 2.896 -7.555) 14.922 0.890 ( -14.970 2.493 10.973) 18.728 0.964 ( -24.592 3.059 -6.526) 25.627 1.151 ( -18.655 4.357 12.668) 22.966 1.280 ( -6.801 3.091 -14.765) 16.548 1.531 ( -6.026 -0.155 -0.285) 6.035 1.543 ( -6.045 0.723 -1.129) 6.191 1.786 ( -3.566 -0.877 4.095) 5.500 1.812 ( -3.256 -0.392 -1.280) 3.521 1.888 ( 2.754 -5.434 -1.198) 6.209 1.954 ( 0.517 2.837 -1.058) 3.071 2.123 ( -5.504 -0.986 0.311) 5.600 2.143 ( -6.325 1.546 0.161) 6.514 2.248 ( -6.532 -2.246 -0.054) 6.908 2.268 ( -5.380 0.905 -1.018) 5.550 2.324 ( 5.176 -2.757 0.423) 5.880 2.407 ( 8.047 6.677 0.291) 10.461 2.474 ( 0.618 -6.098 0.870) 6.191 2.544 ( 3.601 2.550 -0.063) 4.413 3.095 ( 9.953 -2.350 0.304) 10.231 3.130 ( 9.815 2.018 0.097) 10.021 3.253 ( 6.664 -0.486 0.818) 6.732 3.263 ( 7.407 0.108 -0.489) 7.424 4.567 ( -6.524 -0.506 0.148) 6.545 4.569 ( -6.386 -0.428 -0.080) 6.401 4.661 ( -6.023 -0.510 2.576) 6.571 4.690 ( -5.196 0.257 -2.728) 5.874 4.807 ( 3.005 -0.342 0.802) 3.129 4.814 ( 3.181 -0.397 -0.834) 3.313 6.212 ( 5.298 -0.156 0.209) 5.305 6.219 ( 5.372 0.413 -0.340) 5.398 6.695 ( 0.549 -0.893 0.140) 1.058 6.708 ( 0.593 0.683 0.026) 0.905 6.780 ( -1.535 -0.566 0.155) 1.644 6.790 ( -1.542 0.618 -0.092) 1.664 7.484 ( 5.404 -0.450 0.025) 5.423 7.495 ( 5.241 0.756 -0.212) 5.299 7.882 ( -7.229 0.129 0.354) 7.239 7.885 ( -7.413 0.186 -0.386) 7.426 12.537 ( 0.369 -0.061 0.631) 0.734 12.544 ( 0.468 0.048 -0.789) 0.919 12.926 ( -4.269 -0.859 -0.010) 4.354 12.941 ( -4.640 0.455 -1.087) 4.788 13.105 ( -0.442 1.037 0.636) 1.294 13.111 ( 0.341 0.933 -0.755) 1.248 13.361 ( -1.465 -4.766 0.226) 4.991 13.433 ( -4.490 3.881 -1.078) 6.032 ======================= Grid point 48 (30/171) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -11.591 1.310 0.000) 11.665 0.957 ( -12.954 1.597 0.000) 13.052 1.058 ( -3.091 2.137 0.000) 3.758 1.082 ( -2.887 3.542 0.000) 4.569 1.501 ( -5.181 -0.387 0.000) 5.195 1.549 ( -9.984 3.910 0.000) 10.723 1.651 ( -6.628 -1.149 0.000) 6.727 1.707 ( -7.293 2.858 0.000) 7.833 1.800 ( 0.066 -6.086 0.000) 6.087 1.913 ( -7.022 -0.273 0.000) 7.027 1.953 ( -11.699 2.749 0.000) 12.018 1.971 ( 0.042 2.086 -0.000) 2.087 2.118 ( 5.246 0.075 -0.000) 5.246 2.221 ( 10.581 2.891 -0.000) 10.969 2.326 ( -8.186 1.034 0.000) 8.251 2.328 ( -10.160 1.146 0.000) 10.224 2.340 ( 0.565 -0.601 -0.000) 0.825 2.388 ( 2.333 1.660 -0.000) 2.863 2.638 ( -26.111 -2.132 0.000) 26.198 2.648 ( -24.407 -0.594 0.000) 24.414 2.886 ( 10.283 -2.082 -0.000) 10.491 2.937 ( 11.843 0.311 -0.000) 11.847 3.058 ( 12.868 -1.897 -0.000) 13.007 3.094 ( 9.660 0.896 -0.000) 9.702 4.679 ( 2.332 -1.324 -0.000) 2.682 4.698 ( -3.544 -1.274 0.000) 3.766 4.712 ( 0.386 0.544 -0.000) 0.667 4.724 ( -5.428 0.180 0.000) 5.431 4.791 ( -6.003 -1.750 0.000) 6.253 4.839 ( -6.061 1.359 0.000) 6.212 6.052 ( 12.476 -0.183 -0.000) 12.477 6.057 ( 12.808 0.090 -0.000) 12.809 6.693 ( -0.733 -0.257 0.000) 0.777 6.711 ( -0.301 0.820 0.000) 0.873 6.804 ( -1.513 -0.625 0.000) 1.638 6.817 ( -1.127 0.236 0.000) 1.152 7.397 ( 3.517 -0.547 -0.000) 3.559 7.407 ( 4.254 -0.033 -0.000) 4.254 8.022 ( -7.177 0.365 0.000) 7.186 8.023 ( -7.508 0.438 0.000) 7.521 12.529 ( 0.454 -0.112 -0.000) 0.468 12.534 ( 0.597 0.232 -0.000) 0.641 12.984 ( -2.383 -0.670 0.000) 2.475 12.995 ( -2.080 -0.718 0.000) 2.201 13.109 ( 0.539 0.249 -0.000) 0.594 13.116 ( 0.468 2.148 -0.000) 2.198 13.356 ( -2.166 -5.847 0.000) 6.236 13.525 ( -2.154 3.448 0.000) 4.065 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.000 -0.000 -3.849) 3.849 0.427 ( -0.000 0.000 3.849) 3.849 0.618 ( 0.000 -0.000 -7.420) 7.420 0.618 ( -0.000 0.000 7.420) 7.420 1.150 ( 0.000 -0.000 -24.526) 24.526 1.150 ( -0.000 0.000 24.526) 24.526 1.475 ( 0.000 -0.000 -0.429) 0.429 1.475 ( -0.000 0.000 0.429) 0.429 1.775 ( 0.000 -0.000 -3.604) 3.604 1.775 ( -0.000 0.000 3.604) 3.604 1.958 ( 0.000 -0.000 -3.676) 3.676 1.958 ( -0.000 0.000 3.676) 3.676 2.057 ( 0.000 -0.000 -1.497) 1.497 2.057 ( -0.000 0.000 1.497) 1.497 2.209 ( 0.000 -0.000 -2.936) 2.936 2.209 ( -0.000 0.000 2.936) 2.936 2.433 ( 0.000 -0.000 -1.249) 1.249 2.433 ( -0.000 0.000 1.249) 1.249 2.555 ( 0.000 -0.000 -3.623) 3.623 2.555 ( -0.000 0.000 3.623) 3.623 3.228 ( 0.000 -0.000 -0.815) 0.815 3.228 ( -0.000 0.000 0.815) 0.815 3.308 ( 0.000 -0.000 -1.114) 1.114 3.308 ( -0.000 0.000 1.114) 1.114 4.508 ( 0.000 -0.000 -0.239) 0.239 4.508 ( -0.000 0.000 0.239) 0.239 4.613 ( 0.000 -0.000 -4.096) 4.096 4.613 ( -0.000 0.000 4.096) 4.096 4.844 ( 0.000 -0.000 -0.979) 0.979 4.844 ( -0.000 0.000 0.979) 0.979 6.259 ( 0.000 -0.000 -0.765) 0.765 6.259 ( -0.000 0.000 0.765) 0.765 6.714 ( 0.000 -0.000 -0.001) 0.001 6.714 ( -0.000 0.000 0.001) 0.001 6.764 ( 0.000 -0.000 -0.081) 0.081 6.764 ( -0.000 0.000 0.081) 0.081 7.555 ( 0.000 -0.000 -0.504) 0.504 7.555 ( -0.000 0.000 0.504) 0.504 7.798 ( 0.000 -0.000 -0.011) 0.011 7.798 ( -0.000 0.000 0.011) 0.011 12.545 ( 0.000 -0.000 -0.924) 0.924 12.545 ( -0.000 0.000 0.924) 0.924 12.873 ( 0.000 -0.000 -1.715) 1.715 12.873 ( -0.000 0.000 1.715) 1.715 13.103 ( 0.000 -0.000 -1.668) 1.668 13.103 ( -0.000 0.000 1.668) 1.668 13.366 ( 0.000 -0.000 -0.390) 0.390 13.366 ( -0.000 0.000 0.390) 0.390 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.181 ( -0.000 13.523 -0.000) 13.523 0.311 ( -0.000 20.606 -0.000) 20.606 0.439 ( -0.000 29.030 -0.000) 29.030 0.742 ( -0.000 8.815 -0.000) 8.815 1.002 ( -0.000 8.692 -0.000) 8.692 1.377 ( -0.000 1.068 -0.000) 1.068 1.518 ( 0.000 -0.757 0.000) 0.757 1.699 ( 0.000 -5.257 0.000) 5.257 1.721 ( -0.000 0.463 -0.000) 0.463 1.772 ( -0.000 0.428 -0.000) 0.428 1.930 ( 0.000 -2.909 0.000) 2.909 2.060 ( 0.000 -1.972 0.000) 1.972 2.070 ( 0.000 -1.383 0.000) 1.383 2.096 ( -0.000 4.735 -0.000) 4.735 2.149 ( -0.000 0.786 -0.000) 0.786 2.183 ( 0.000 -1.439 0.000) 1.439 2.308 ( 0.000 -4.977 0.000) 4.977 2.311 ( 0.000 -1.482 0.000) 1.482 2.476 ( -0.000 2.837 -0.000) 2.837 2.803 ( 0.000 -1.778 0.000) 1.778 3.139 ( -0.000 0.126 -0.000) 0.126 3.200 ( 0.000 -0.340 0.000) 0.340 3.280 ( -0.000 0.316 -0.000) 0.316 3.460 ( 0.000 -1.191 0.000) 1.191 4.493 ( 0.000 -1.362 0.000) 1.362 4.504 ( 0.000 -1.619 0.000) 1.619 4.514 ( -0.000 0.566 -0.000) 0.566 4.725 ( 0.000 -0.558 0.000) 0.558 4.817 ( 0.000 -0.094 0.000) 0.094 4.861 ( 0.000 -1.184 0.000) 1.184 6.245 ( -0.000 0.485 -0.000) 0.485 6.281 ( 0.000 -0.148 0.000) 0.148 6.660 ( 0.000 -0.156 0.000) 0.156 6.709 ( 0.000 -0.639 0.000) 0.639 6.765 ( -0.000 0.484 -0.000) 0.484 6.806 ( -0.000 0.135 -0.000) 0.135 7.552 ( -0.000 1.013 -0.000) 1.013 7.573 ( -0.000 0.271 -0.000) 0.271 7.796 ( 0.000 -0.330 0.000) 0.330 7.796 ( 0.000 -0.325 0.000) 0.325 12.529 ( 0.000 -0.111 0.000) 0.111 12.576 ( 0.000 -0.436 0.000) 0.436 12.842 ( -0.000 0.570 -0.000) 0.570 13.029 ( 0.000 -1.702 0.000) 1.702 13.078 ( -0.000 1.820 -0.000) 1.820 13.163 ( -0.000 2.014 -0.000) 2.014 13.370 ( 0.000 -1.520 0.000) 1.520 13.391 ( -0.000 0.047 -0.000) 0.047 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -9.645 12.365 4.851) 16.415 0.599 ( -11.793 14.356 2.007) 18.687 1.012 ( -10.849 5.042 -1.327) 12.037 1.076 ( -33.415 14.246 0.732) 36.333 1.201 ( -15.085 10.227 -0.389) 18.229 1.479 ( -9.166 0.983 1.313) 9.312 1.578 ( 3.784 -3.578 -3.181) 6.102 1.619 ( -10.280 -2.299 0.821) 10.566 1.716 ( 3.085 -0.157 0.250) 3.099 1.741 ( -1.820 0.710 0.740) 2.089 1.985 ( 0.196 -1.379 -6.043) 6.201 2.025 ( -7.702 -1.894 -1.275) 8.033 2.077 ( 0.242 -1.928 6.374) 6.664 2.160 ( -2.614 3.291 -2.515) 4.898 2.190 ( -2.401 -1.321 0.770) 2.847 2.248 ( -1.312 -0.534 1.379) 1.977 2.312 ( -12.297 -2.940 -0.170) 12.645 2.357 ( -4.488 -2.744 0.200) 5.264 2.467 ( 2.578 2.616 0.460) 3.702 2.563 ( 14.395 1.512 -0.299) 14.478 3.081 ( 6.402 0.085 -0.847) 6.458 3.126 ( 9.402 1.155 0.901) 9.515 3.192 ( 9.263 -0.036 0.746) 9.293 3.291 ( 11.629 0.298 -0.359) 11.638 4.547 ( -6.661 -1.498 0.036) 6.828 4.558 ( -6.703 -0.485 0.092) 6.721 4.611 ( -8.191 -0.194 0.134) 8.195 4.752 ( -3.292 -0.671 -0.625) 3.417 4.784 ( 3.118 -0.215 0.273) 3.137 4.818 ( 3.485 -1.395 -0.122) 3.756 6.211 ( 5.193 -0.119 -0.085) 5.195 6.229 ( 5.775 -0.233 0.031) 5.780 6.669 ( -0.939 -0.078 0.241) 0.973 6.709 ( -0.114 -0.188 0.029) 0.221 6.774 ( -0.438 0.540 0.017) 0.695 6.803 ( -0.731 0.556 -0.054) 0.920 7.485 ( 6.854 0.098 -0.046) 6.855 7.509 ( 4.564 -0.618 -0.070) 4.606 7.878 ( -7.188 0.329 0.049) 7.196 7.894 ( -8.117 -0.126 0.009) 8.118 12.525 ( 0.203 -0.108 0.063) 0.239 12.562 ( 0.902 -0.505 -0.146) 1.044 12.920 ( -3.787 -1.228 -0.057) 3.982 13.020 ( -0.629 -2.210 -1.097) 2.546 13.121 ( -2.886 2.083 -0.002) 3.559 13.171 ( 0.952 2.715 -0.657) 2.952 13.266 ( 2.735 -4.420 0.739) 5.250 13.558 ( -6.818 -3.534 -1.538) 7.832 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -11.129 10.053 5.128) 15.850 0.896 ( -10.613 6.863 1.901) 12.781 1.168 ( -5.709 2.317 -2.278) 6.568 1.400 ( -2.597 1.473 -4.612) 5.494 1.459 ( 0.784 -0.878 0.144) 1.186 1.535 ( -8.590 1.398 5.062) 10.068 1.653 ( 1.571 0.345 -0.470) 1.676 1.723 ( -1.132 1.342 -1.605) 2.379 1.805 ( -13.382 4.386 0.285) 14.086 1.853 ( -4.298 -2.582 -0.112) 5.015 1.941 ( 1.777 -2.563 -1.006) 3.276 2.119 ( 3.771 -0.642 3.007) 4.866 2.161 ( -6.957 2.238 -3.249) 7.998 2.200 ( -4.616 0.020 0.251) 4.623 2.303 ( -9.515 3.734 0.914) 10.263 2.330 ( 5.606 2.488 -0.396) 6.146 2.374 ( 1.746 -0.334 1.189) 2.139 2.408 ( -9.932 1.466 -1.062) 10.095 2.607 ( -25.214 0.439 -0.227) 25.219 2.651 ( -25.655 -3.970 0.268) 25.962 2.902 ( 10.748 1.119 -2.945) 11.200 2.940 ( 10.599 -1.359 0.197) 10.688 2.995 ( 11.908 -0.306 2.548) 12.181 3.055 ( 12.842 -1.584 0.674) 12.957 4.669 ( -2.877 -1.428 -0.270) 3.224 4.682 ( 3.655 -0.858 0.259) 3.763 4.707 ( -8.538 -0.296 -0.091) 8.544 4.731 ( 1.538 -0.704 -0.351) 1.727 4.780 ( -7.557 -0.066 -0.438) 7.570 4.833 ( -5.207 -0.166 0.791) 5.270 6.049 ( 12.658 -0.015 -0.018) 12.658 6.060 ( 12.870 -0.298 -0.048) 12.873 6.694 ( -1.650 0.302 -0.104) 1.681 6.716 ( -0.469 0.592 0.218) 0.786 6.787 ( -0.542 0.286 0.159) 0.633 6.827 ( -1.502 -0.485 -0.123) 1.583 7.378 ( 4.535 -0.029 0.175) 4.539 7.421 ( 3.827 -1.029 -0.315) 3.975 8.019 ( -7.385 0.781 0.131) 7.427 8.038 ( -7.412 0.114 -0.068) 7.414 12.523 ( -0.038 -0.010 0.087) 0.095 12.540 ( 1.125 -0.125 -0.028) 1.133 12.966 ( -1.813 0.451 -0.073) 1.870 13.010 ( -0.687 -2.391 -0.290) 2.504 13.143 ( 1.307 -0.113 -2.849) 3.136 13.196 ( 0.087 1.501 -0.100) 1.507 13.217 ( -1.457 -1.547 2.763) 3.486 13.595 ( -1.129 -2.157 -1.095) 2.669 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -11.308 6.670 3.738) 13.651 1.093 ( -8.039 -0.480 0.332) 8.060 1.246 ( -4.357 -2.245 -0.366) 4.915 1.380 ( -1.740 -1.574 -4.254) 4.858 1.512 ( -2.998 0.999 -0.630) 3.222 1.628 ( -0.714 0.133 0.082) 0.731 1.653 ( -0.448 0.942 1.957) 2.217 1.724 ( -0.212 0.782 3.063) 3.168 1.828 ( 1.858 -0.837 -0.121) 2.041 1.871 ( 2.007 -2.569 -0.391) 3.283 1.992 ( -2.248 0.840 0.179) 2.407 2.043 ( 3.757 0.449 0.760) 3.859 2.134 ( 6.233 3.996 -2.713) 7.885 2.231 ( 1.443 2.469 -0.130) 2.863 2.254 ( 4.614 1.390 0.536) 4.848 2.340 ( 1.788 0.211 -1.289) 2.214 2.580 ( -4.956 0.214 -0.862) 5.035 2.605 ( -11.399 2.483 0.213) 11.668 2.640 ( 10.306 1.469 0.546) 10.425 2.743 ( 10.281 -2.051 -2.508) 10.779 2.787 ( 3.382 -1.547 -0.129) 3.721 2.842 ( 6.827 0.698 3.875) 7.881 3.276 ( -40.698 0.276 0.365) 40.701 3.327 ( -39.619 -1.984 -0.420) 39.671 4.545 ( 7.731 -0.862 -0.669) 7.808 4.577 ( 7.121 -0.992 0.352) 7.198 4.835 ( -6.965 -0.429 -0.138) 6.980 4.853 ( -7.062 -0.381 0.081) 7.072 4.897 ( -5.564 -0.398 -1.455) 5.765 4.941 ( -5.411 0.534 1.760) 5.715 5.753 ( 19.891 -0.016 -0.053) 19.891 5.759 ( 19.964 -0.193 -0.074) 19.965 6.726 ( -1.396 0.695 -0.462) 1.626 6.738 ( -1.079 0.905 0.337) 1.448 6.798 ( -0.435 -0.008 0.470) 0.641 6.843 ( -0.964 -1.047 -0.309) 1.456 7.323 ( 1.808 -0.014 0.317) 1.836 7.361 ( 1.806 -0.938 -0.386) 2.071 8.145 ( -5.649 0.541 -0.068) 5.676 8.156 ( -5.383 0.270 0.048) 5.390 12.522 ( 0.840 0.373 0.107) 0.925 12.527 ( -0.099 0.142 0.038) 0.177 12.984 ( -0.496 -0.794 -0.931) 1.321 13.018 ( -1.198 -0.291 1.112) 1.660 13.098 ( 1.151 -1.647 -2.606) 3.291 13.179 ( 1.352 -0.290 2.420) 2.787 13.272 ( -1.928 2.018 -0.285) 2.805 13.579 ( 0.535 -1.764 -0.469) 1.902 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -7.084 -2.908 -1.843) 7.876 1.230 ( -8.208 -0.034 0.651) 8.234 1.323 ( -5.037 -1.361 1.933) 5.564 1.426 ( -5.131 -2.129 -1.468) 5.746 1.539 ( -0.704 0.779 -1.570) 1.889 1.635 ( 0.071 0.948 0.326) 1.005 1.670 ( -1.067 0.314 1.674) 2.010 1.751 ( 1.664 0.509 1.125) 2.072 1.819 ( -1.956 1.441 4.563) 5.170 1.837 ( 0.774 -0.481 1.446) 1.709 1.953 ( 5.768 1.842 -2.885) 6.708 1.997 ( 3.732 1.527 -1.019) 4.159 2.038 ( 5.069 0.589 -2.455) 5.663 2.129 ( 7.730 0.901 0.249) 7.787 2.175 ( 7.698 1.659 -1.543) 8.024 2.299 ( 1.235 -0.166 -0.228) 1.266 2.487 ( 3.803 -1.349 -0.879) 4.130 2.517 ( 5.504 -0.439 0.063) 5.522 2.595 ( 1.005 -1.112 -0.550) 1.597 2.680 ( 5.852 0.583 2.243) 6.294 2.877 ( -9.840 1.468 0.705) 9.974 2.931 ( -7.486 0.716 -0.464) 7.535 3.998 ( -37.213 0.124 0.353) 37.215 4.023 ( -36.482 -0.906 -0.266) 36.494 4.405 ( 5.788 -0.710 -0.989) 5.915 4.455 ( 5.221 -0.384 0.751) 5.289 4.931 ( -3.949 -0.463 -0.232) 3.983 4.950 ( -3.703 -0.302 0.067) 3.716 4.968 ( -2.911 0.026 -1.020) 3.085 5.028 ( -2.759 0.350 1.272) 3.058 5.337 ( 25.268 0.023 -0.357) 25.271 5.347 ( 24.856 0.154 0.130) 24.857 6.748 ( -0.513 0.711 -0.115) 0.884 6.759 ( -0.527 0.344 -0.299) 0.697 6.809 ( -0.496 0.121 0.616) 0.800 6.846 ( -0.608 -0.862 -0.204) 1.074 7.306 ( 0.411 0.035 0.116) 0.428 7.336 ( 0.395 -0.547 -0.160) 0.694 8.223 ( -2.864 0.120 -0.368) 2.890 8.236 ( -2.934 0.273 0.237) 2.956 12.512 ( 0.624 0.437 -0.010) 0.762 12.529 ( 0.000 0.187 -0.027) 0.189 12.980 ( -0.435 -1.074 -0.688) 1.347 13.038 ( -0.937 -1.287 -1.387) 2.112 13.068 ( 0.707 0.550 0.602) 1.079 13.166 ( 0.922 -0.487 2.617) 2.817 13.308 ( -0.813 2.374 -1.789) 3.082 13.556 ( 0.395 -1.518 0.093) 1.572 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -4.348 -0.732 0.184) 4.413 1.344 ( -5.998 -0.659 -2.605) 6.572 1.372 ( 1.100 1.230 0.493) 1.722 1.429 ( 1.038 -0.367 0.237) 1.126 1.601 ( 0.064 -1.289 3.021) 3.285 1.651 ( 0.294 1.088 -2.181) 2.455 1.680 ( -0.753 -1.369 2.691) 3.111 1.728 ( -0.032 -0.112 -0.762) 0.771 1.799 ( 4.130 2.981 -1.297) 5.256 1.857 ( 2.843 0.042 -1.356) 3.151 1.890 ( 4.656 -0.749 -1.713) 5.017 1.919 ( -2.119 0.442 3.949) 4.503 1.940 ( 0.017 0.100 -1.190) 1.194 2.053 ( 1.041 -1.041 0.042) 1.473 2.099 ( -0.399 0.319 -1.728) 1.802 2.281 ( 0.741 -0.603 2.144) 2.347 2.401 ( -0.050 -3.282 -4.170) 5.306 2.533 ( -2.432 3.982 0.818) 4.737 2.596 ( 0.688 -0.173 2.423) 2.525 2.631 ( -0.785 0.392 0.321) 0.935 2.970 ( 1.324 -0.143 -0.372) 1.382 2.995 ( 0.995 -0.607 -0.505) 1.271 4.340 ( -0.487 0.172 -0.723) 0.889 4.394 ( -0.893 -0.143 0.162) 0.919 4.484 ( 0.244 0.354 0.312) 0.531 4.503 ( -1.451 -0.086 0.340) 1.493 4.958 ( -0.226 0.256 0.149) 0.372 4.963 ( -0.370 0.206 -0.063) 0.428 4.977 ( 0.339 -0.363 -0.227) 0.546 4.990 ( -0.505 -0.052 -0.442) 0.673 5.010 ( 0.729 -0.354 -0.295) 0.863 5.059 ( 0.688 0.105 0.448) 0.828 6.747 ( 0.619 -0.271 -0.265) 0.726 6.762 ( 0.397 0.065 0.230) 0.464 6.814 ( -0.077 -0.111 -0.617) 0.632 6.858 ( -0.685 0.354 0.665) 1.018 7.304 ( -0.072 0.026 -0.337) 0.346 7.334 ( -0.361 -0.055 0.267) 0.452 8.249 ( -0.006 0.018 -0.231) 0.232 8.262 ( 0.285 -0.032 0.021) 0.287 12.504 ( 0.303 0.010 -0.472) 0.561 12.530 ( 0.136 0.152 0.153) 0.255 12.980 ( -0.477 -0.616 -0.674) 1.030 13.026 ( -0.826 -2.005 -2.541) 3.340 13.078 ( 0.438 1.655 2.191) 2.780 13.163 ( 0.236 -0.498 3.073) 3.122 13.324 ( -0.204 2.533 -3.319) 4.180 13.547 ( -0.475 -1.180 0.649) 1.428 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 14.202 -1.319 -2.383) 14.461 1.314 ( 7.364 2.629 1.679) 7.997 1.406 ( 2.078 2.688 0.039) 3.398 1.472 ( 1.400 0.657 2.784) 3.184 1.544 ( 2.202 0.702 1.192) 2.601 1.588 ( 2.918 -2.018 -1.220) 3.752 1.645 ( 1.014 -0.258 -4.023) 4.157 1.727 ( -2.118 -0.927 -2.974) 3.767 1.802 ( -0.792 0.866 -0.951) 1.511 1.841 ( -3.829 -0.426 -1.773) 4.241 1.891 ( -6.592 -2.231 1.628) 7.147 1.971 ( -1.290 -0.031 2.033) 2.408 2.016 ( 0.669 -1.383 1.435) 2.102 2.098 ( -10.397 -1.199 0.725) 10.491 2.130 ( -3.476 -0.035 -1.203) 3.679 2.288 ( -0.377 -0.530 3.759) 3.815 2.421 ( -5.626 -1.802 -3.786) 7.016 2.615 ( -3.832 0.252 1.887) 4.279 2.644 ( -5.019 3.080 0.379) 5.900 2.690 ( -4.416 1.485 0.312) 4.670 2.833 ( 10.887 -1.340 -1.845) 11.123 2.885 ( 9.121 -1.777 -0.445) 9.303 3.997 ( 37.298 0.003 -0.744) 37.305 4.052 ( 35.479 0.755 0.667) 35.493 4.426 ( -6.360 0.459 -0.050) 6.377 4.471 ( -5.824 0.498 0.621) 5.879 4.936 ( 3.529 -0.129 -0.189) 3.536 4.951 ( 3.482 -0.145 0.102) 3.486 4.972 ( 2.312 0.256 -0.559) 2.393 5.019 ( 3.762 -0.157 -0.016) 3.765 5.336 ( -25.443 -0.034 -0.019) 25.443 5.343 ( -25.468 -0.082 0.005) 25.468 6.728 ( 0.909 -0.459 -0.187) 1.035 6.745 ( 1.329 -0.384 0.225) 1.402 6.810 ( 0.204 0.108 -0.855) 0.885 6.872 ( 0.142 0.575 0.819) 1.011 7.307 ( -0.549 0.034 -0.579) 0.799 7.349 ( -1.042 0.264 0.500) 1.186 8.221 ( 3.206 0.018 0.037) 3.207 8.226 ( 3.160 -0.295 -0.216) 3.181 12.502 ( -0.433 -0.212 -0.539) 0.723 12.528 ( 0.179 0.046 0.150) 0.238 12.975 ( 0.093 -0.830 -1.113) 1.392 13.029 ( -1.466 -0.540 -1.453) 2.133 13.087 ( 0.374 0.575 1.833) 1.957 13.177 ( -0.188 -0.061 3.817) 3.822 13.327 ( 0.162 2.605 -4.543) 5.239 13.559 ( -1.195 -0.915 1.203) 1.926 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 16.240 -2.072 -5.657) 17.321 1.120 ( 15.355 0.632 -0.831) 15.390 1.326 ( 10.255 2.128 3.454) 11.029 1.376 ( 3.148 -1.079 5.667) 6.571 1.491 ( 2.933 -0.464 -3.192) 4.360 1.636 ( -3.007 -0.132 0.605) 3.070 1.642 ( -1.382 0.178 -1.939) 2.387 1.688 ( 1.998 -0.377 -4.894) 5.300 1.901 ( -0.513 2.806 2.116) 3.552 1.940 ( -3.208 1.964 -0.728) 3.831 1.952 ( -0.100 -0.780 -0.752) 1.088 1.982 ( -5.184 -3.273 0.016) 6.131 2.011 ( -4.505 -2.743 1.643) 5.524 2.213 ( -2.498 1.040 1.529) 3.108 2.229 ( -4.087 -0.905 0.740) 4.251 2.315 ( -1.878 -0.692 0.972) 2.225 2.522 ( 13.369 -0.582 0.177) 13.383 2.541 ( -3.775 -1.508 0.676) 4.121 2.652 ( 7.049 0.409 -3.030) 7.684 2.764 ( -8.284 -0.114 -0.496) 8.300 2.809 ( -8.759 0.290 -0.246) 8.767 2.858 ( -10.925 0.623 -0.103) 10.943 3.271 ( 40.817 -0.049 -0.868) 40.826 3.382 ( 37.349 0.886 1.149) 37.377 4.566 ( -7.921 0.303 -0.012) 7.927 4.604 ( -7.557 0.462 0.596) 7.594 4.840 ( 6.661 0.010 -0.197) 6.664 4.855 ( 6.933 -0.094 0.011) 6.933 4.912 ( 4.833 0.577 0.003) 4.868 4.923 ( 5.937 -0.625 -0.586) 5.999 5.753 ( -19.987 -0.008 -0.093) 19.987 5.763 ( -20.219 0.062 0.093) 20.219 6.709 ( 0.758 -0.254 -0.070) 0.803 6.717 ( 1.479 -0.290 -0.050) 1.508 6.800 ( 0.684 0.041 -0.626) 0.928 6.866 ( 1.261 0.313 0.605) 1.433 7.325 ( -1.877 0.032 -0.538) 1.953 7.382 ( -2.236 0.289 0.561) 2.324 8.131 ( 6.158 -0.214 -0.203) 6.165 8.150 ( 5.274 -0.073 0.154) 5.277 12.515 ( -1.305 -0.088 -0.184) 1.320 12.525 ( 0.140 0.009 0.011) 0.140 12.960 ( 0.364 -0.591 -0.979) 1.200 13.049 ( -0.955 0.431 -0.651) 1.234 13.094 ( -0.418 -0.343 1.562) 1.653 13.190 ( 0.870 -0.209 3.609) 3.718 13.324 ( -0.179 2.429 -4.372) 5.005 13.584 ( -1.298 -0.632 1.885) 2.374 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 14.619 -0.000 -8.596) 16.959 0.794 ( 19.469 0.000 -1.871) 19.559 1.144 ( 10.838 0.000 3.614) 11.425 1.346 ( 7.708 0.000 1.078) 7.783 1.472 ( -4.971 0.000 1.853) 5.305 1.496 ( 17.880 0.000 -3.522) 18.224 1.667 ( -2.184 -0.000 -0.221) 2.195 1.686 ( 7.704 0.000 2.869) 8.221 1.737 ( 6.459 -0.000 -2.987) 7.116 1.955 ( 9.364 0.000 -1.057) 9.423 1.982 ( -1.452 0.000 4.411) 4.644 2.069 ( -1.151 0.000 2.554) 2.802 2.074 ( -4.239 -0.000 -5.467) 6.918 2.219 ( -0.824 0.000 4.952) 5.020 2.244 ( 12.401 0.000 -0.777) 12.425 2.311 ( 1.096 -0.000 -3.892) 4.044 2.332 ( -5.392 -0.000 -0.362) 5.405 2.378 ( 11.916 0.000 0.638) 11.933 2.610 ( 25.351 0.000 -0.087) 25.352 2.800 ( 22.057 0.000 3.931) 22.405 2.825 ( -15.101 -0.000 -1.753) 15.203 2.944 ( -8.351 -0.000 -1.291) 8.450 3.005 ( -11.116 -0.000 -1.662) 11.239 3.086 ( -12.364 -0.000 -0.063) 12.364 4.697 ( -3.876 -0.000 0.304) 3.887 4.704 ( 5.745 0.000 -0.310) 5.753 4.707 ( 8.903 0.000 -0.202) 8.905 4.737 ( -5.359 -0.000 0.943) 5.442 4.776 ( 7.683 0.000 -0.851) 7.730 4.835 ( 4.558 0.000 -0.022) 4.558 6.050 ( -12.784 -0.000 -0.001) 12.784 6.065 ( -12.863 -0.000 0.141) 12.864 6.689 ( 1.242 -0.000 -0.281) 1.273 6.699 ( 0.147 -0.000 -0.033) 0.151 6.783 ( 0.867 -0.000 -0.385) 0.949 6.836 ( 2.228 0.000 0.258) 2.242 7.379 ( -4.486 -0.000 -0.275) 4.495 7.441 ( -3.915 -0.000 0.561) 3.954 8.005 ( 7.342 0.000 -0.166) 7.344 8.036 ( 7.290 0.000 0.215) 7.293 12.524 ( -0.035 -0.000 -0.063) 0.072 12.542 ( -1.608 -0.000 0.162) 1.616 12.948 ( 0.395 -0.000 -0.390) 0.556 13.058 ( 0.107 0.000 0.331) 0.347 13.114 ( -1.253 0.000 1.022) 1.617 13.158 ( 3.602 0.000 1.139) 3.777 13.339 ( -1.603 -0.000 -1.588) 2.256 13.611 ( -0.806 0.000 3.009) 3.115 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 16.269 0.000 -0.000) 16.269 0.786 ( 19.775 0.000 -0.000) 19.775 1.160 ( 10.572 0.000 -0.000) 10.572 1.350 ( 8.773 0.000 -0.000) 8.773 1.479 ( 17.477 0.000 -0.000) 17.477 1.480 ( -6.558 -0.000 0.000) 6.558 1.666 ( -2.542 -0.000 0.000) 2.542 1.704 ( 16.263 0.000 -0.000) 16.263 1.719 ( -1.249 -0.000 0.000) 1.249 1.950 ( 9.755 0.000 -0.000) 9.755 2.016 ( -3.667 -0.000 0.000) 3.667 2.035 ( -1.290 -0.000 0.000) 1.290 2.080 ( -2.385 -0.000 0.000) 2.385 2.241 ( 12.552 0.000 -0.000) 12.552 2.251 ( -0.642 -0.000 0.000) 0.642 2.285 ( 2.129 0.000 -0.000) 2.129 2.331 ( -5.815 -0.000 0.000) 5.815 2.380 ( 12.378 0.000 -0.000) 12.378 2.610 ( 25.558 0.000 -0.000) 25.558 2.817 ( -15.690 -0.000 0.000) 15.690 2.819 ( 23.598 0.000 -0.000) 23.598 2.936 ( -9.583 -0.000 0.000) 9.583 2.999 ( -11.392 -0.000 0.000) 11.392 3.085 ( -12.428 -0.000 0.000) 12.428 4.699 ( -6.279 -0.000 0.000) 6.279 4.702 ( 8.083 0.000 -0.000) 8.083 4.706 ( 8.980 0.000 -0.000) 8.980 4.741 ( -6.491 -0.000 0.000) 6.491 4.772 ( 8.843 0.000 -0.000) 8.843 4.835 ( 4.515 0.000 -0.000) 4.515 6.050 ( -12.826 -0.000 0.000) 12.826 6.065 ( -12.885 -0.000 0.000) 12.885 6.688 ( 1.342 0.000 -0.000) 1.342 6.699 ( 0.137 0.000 -0.000) 0.137 6.781 ( 0.858 0.000 -0.000) 0.858 6.837 ( 2.274 0.000 -0.000) 2.274 7.378 ( -4.529 -0.000 0.000) 4.529 7.444 ( -3.978 -0.000 0.000) 3.978 8.004 ( 7.337 0.000 -0.000) 7.337 8.037 ( 7.282 0.000 -0.000) 7.282 12.524 ( -0.024 -0.000 0.000) 0.024 12.543 ( -1.677 -0.000 0.000) 1.677 12.946 ( 0.280 0.000 -0.000) 0.280 13.059 ( -0.175 -0.000 0.000) 0.175 13.119 ( -1.236 -0.000 0.000) 1.236 13.163 ( 4.049 0.000 -0.000) 4.049 13.332 ( -2.085 -0.000 0.000) 2.085 13.624 ( -1.520 -0.000 0.000) 1.520 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( -0.000 9.606 14.063) 17.031 0.327 ( -0.000 19.635 3.658) 19.973 0.473 ( -0.000 26.043 8.102) 27.274 0.745 ( -0.000 9.379 0.393) 9.387 0.981 ( -0.000 8.691 -4.763) 9.910 1.392 ( -0.000 1.102 3.260) 3.441 1.512 ( 0.000 -0.576 -1.247) 1.374 1.681 ( 0.000 -4.798 -4.150) 6.344 1.720 ( 0.000 0.361 -0.433) 0.564 1.776 ( -0.000 1.279 0.991) 1.618 1.920 ( 0.000 -2.254 -2.104) 3.084 1.988 ( 0.000 -3.811 -6.153) 7.238 2.092 ( -0.000 3.941 -0.620) 3.990 2.139 ( 0.000 0.380 -1.077) 1.142 2.178 ( 0.000 -1.553 -0.953) 1.822 2.180 ( -0.000 -4.683 12.110) 12.984 2.307 ( 0.000 -0.849 -0.940) 1.267 2.324 ( 0.000 -5.031 3.091) 5.905 2.482 ( -0.000 3.032 1.556) 3.408 2.767 ( 0.000 1.943 -6.962) 7.228 3.159 ( -0.000 -1.910 3.658) 4.127 3.201 ( 0.000 -0.384 0.263) 0.466 3.282 ( -0.000 0.325 0.370) 0.492 3.434 ( 0.000 1.279 -5.091) 5.249 4.493 ( 0.000 -1.374 -0.015) 1.374 4.503 ( 0.000 -1.620 -0.117) 1.624 4.519 ( -0.000 0.596 1.140) 1.286 4.720 ( 0.000 -0.498 -1.291) 1.383 4.816 ( 0.000 -0.156 -0.058) 0.167 4.860 ( 0.000 -1.178 -0.304) 1.216 6.246 ( -0.000 0.486 0.188) 0.521 6.281 ( 0.000 -0.105 -0.034) 0.110 6.669 ( -0.000 -1.159 1.789) 2.131 6.709 ( 0.000 -0.655 -0.029) 0.655 6.766 ( -0.000 0.491 0.048) 0.493 6.800 ( 0.000 0.799 -1.310) 1.534 7.552 ( -0.000 1.023 0.123) 1.030 7.574 ( -0.000 0.335 0.245) 0.415 7.796 ( 0.000 -0.329 -0.006) 0.329 7.796 ( 0.000 -0.324 -0.014) 0.325 12.529 ( -0.000 -0.096 0.104) 0.141 12.574 ( 0.000 -0.407 -0.458) 0.612 12.844 ( -0.000 0.583 0.333) 0.671 13.003 ( 0.000 0.565 -5.187) 5.218 13.078 ( -0.000 2.295 0.342) 2.321 13.161 ( -0.000 2.005 -0.526) 2.073 13.369 ( 0.000 -1.470 -0.138) 1.476 13.381 ( 0.000 0.849 -1.671) 1.874 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -9.103 9.465 10.758) 16.975 0.635 ( -10.794 13.740 6.432) 18.619 0.990 ( -9.329 5.903 -3.753) 11.660 1.087 ( -31.633 13.077 1.723) 34.273 1.196 ( -18.440 10.432 -0.501) 21.193 1.492 ( -5.880 -0.377 0.534) 5.916 1.547 ( -0.420 -0.723 -2.763) 2.887 1.617 ( -7.053 -2.377 -1.376) 7.569 1.717 ( 0.525 0.100 -0.118) 0.547 1.756 ( -0.824 -0.428 2.497) 2.664 1.927 ( -0.698 -1.453 -6.555) 6.751 2.011 ( -7.451 -0.902 -2.251) 7.836 2.123 ( 0.574 -3.481 2.258) 4.189 2.149 ( -2.933 1.315 1.742) 3.656 2.185 ( -4.483 0.842 -1.518) 4.807 2.267 ( 0.046 -0.713 2.493) 2.593 2.310 ( -10.791 -3.156 -0.039) 11.244 2.360 ( -4.063 -2.567 0.423) 4.824 2.474 ( 3.388 3.142 1.080) 4.746 2.559 ( 12.977 1.128 -0.573) 13.038 3.072 ( 7.886 -0.185 -0.992) 7.951 3.136 ( 8.959 0.811 1.121) 9.065 3.204 ( 8.392 -0.134 1.867) 8.598 3.285 ( 11.013 0.105 -0.936) 11.053 4.548 ( -6.700 -1.500 0.100) 6.866 4.559 ( -6.818 -0.646 0.131) 6.850 4.614 ( -7.835 -0.120 0.592) 7.858 4.743 ( -2.842 -0.624 -1.420) 3.238 4.788 ( 2.311 -0.263 0.420) 2.364 4.816 ( 3.415 -1.369 -0.342) 3.695 6.210 ( 5.211 -0.001 -0.111) 5.212 6.229 ( 5.812 -0.161 -0.025) 5.815 6.672 ( -0.666 -0.297 0.544) 0.910 6.710 ( -0.167 -0.188 0.076) 0.263 6.774 ( -0.522 0.445 0.045) 0.687 6.802 ( -0.855 0.549 -0.135) 1.025 7.484 ( 6.644 0.066 -0.113) 6.646 7.508 ( 4.919 -0.322 -0.159) 4.932 7.879 ( -7.241 0.331 0.146) 7.250 7.894 ( -8.054 -0.062 -0.025) 8.055 12.526 ( 0.212 -0.084 0.193) 0.299 12.560 ( 0.824 -0.422 -0.408) 1.012 12.919 ( -3.859 -1.089 -0.144) 4.012 13.003 ( -1.492 -1.657 -2.723) 3.520 13.121 ( -2.333 1.865 0.018) 2.987 13.162 ( 1.111 2.600 -1.196) 3.070 13.276 ( 2.321 -3.770 1.483) 4.669 13.536 ( -7.011 -1.950 -3.394) 8.029 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -10.219 8.151 8.639) 15.669 0.920 ( -9.275 6.983 3.860) 12.235 1.140 ( -6.416 2.956 -4.110) 8.173 1.355 ( -0.572 0.633 -6.104) 6.163 1.460 ( -1.862 0.040 0.499) 1.928 1.582 ( -7.856 1.313 5.228) 9.527 1.649 ( 0.182 0.341 -0.489) 0.624 1.709 ( -2.348 1.893 -1.184) 3.240 1.794 ( -7.152 0.910 -3.023) 7.818 1.862 ( -7.883 0.074 2.203) 8.185 1.936 ( 0.870 -2.429 -0.055) 2.581 2.118 ( -7.645 0.926 -4.337) 8.838 2.159 ( 3.870 1.020 3.770) 5.498 2.196 ( -0.986 0.897 -1.216) 1.804 2.312 ( -11.489 3.155 1.121) 11.967 2.330 ( 4.610 1.963 0.541) 5.040 2.384 ( 2.080 -0.102 1.157) 2.382 2.396 ( -8.692 1.159 -1.578) 8.910 2.604 ( -26.641 -0.276 -0.349) 26.645 2.653 ( -26.127 -3.046 -0.013) 26.304 2.880 ( 11.453 0.843 -2.091) 11.673 2.939 ( 11.466 -1.553 -0.367) 11.576 3.013 ( 13.063 -1.391 1.518) 13.224 3.066 ( 10.988 -0.497 1.915) 11.165 4.666 ( -0.713 -1.331 -0.294) 1.538 4.683 ( 1.899 -0.810 0.014) 2.064 4.707 ( -8.483 -0.535 0.226) 8.503 4.727 ( 0.692 -0.523 -0.585) 1.046 4.775 ( -6.892 -0.657 -0.544) 6.944 4.841 ( -5.608 0.273 1.016) 5.706 6.049 ( 12.623 -0.032 -0.013) 12.623 6.059 ( 12.916 -0.263 -0.094) 12.919 6.693 ( -1.462 0.187 -0.120) 1.479 6.718 ( -0.559 0.633 0.291) 0.894 6.789 ( -0.709 0.104 0.287) 0.771 6.825 ( -1.369 -0.361 -0.220) 1.433 7.380 ( 4.401 -0.098 0.333) 4.415 7.417 ( 3.912 -0.905 -0.555) 4.053 8.021 ( -7.357 0.746 0.248) 7.399 8.037 ( -7.379 0.186 -0.152) 7.383 12.524 ( 0.024 -0.012 0.158) 0.160 12.540 ( 1.007 -0.029 -0.057) 1.009 12.965 ( -1.713 0.091 -0.046) 1.716 13.006 ( -1.516 -2.261 -0.806) 2.839 13.121 ( 1.533 -0.453 -2.032) 2.585 13.190 ( -0.588 3.295 -1.140) 3.536 13.243 ( -0.660 -2.592 3.192) 4.165 13.582 ( -1.551 -1.545 -1.755) 2.806 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -9.730 5.785 5.494) 12.583 1.096 ( -6.854 -1.023 0.510) 6.949 1.242 ( -5.843 -1.038 -0.711) 5.976 1.337 ( -2.520 -0.540 -5.738) 6.290 1.511 ( -2.048 0.139 0.117) 2.056 1.633 ( -0.521 -0.601 1.143) 1.392 1.663 ( 0.326 0.864 0.371) 0.995 1.757 ( -2.338 -0.055 4.436) 5.015 1.819 ( -0.005 0.564 -2.069) 2.145 1.871 ( 1.851 -2.435 0.436) 3.090 1.998 ( -1.339 0.022 1.196) 1.796 2.049 ( 5.160 0.711 0.613) 5.245 2.108 ( 6.907 3.615 -3.171) 8.416 2.224 ( -1.470 3.011 -1.265) 3.581 2.261 ( 6.366 1.764 1.106) 6.698 2.327 ( 3.496 0.265 -1.571) 3.842 2.572 ( -6.424 1.974 -1.010) 6.796 2.607 ( -10.549 1.877 0.445) 10.724 2.646 ( 9.369 -0.050 0.965) 9.419 2.722 ( 10.655 -2.770 -2.318) 11.251 2.786 ( 3.526 -1.668 -0.103) 3.902 2.874 ( 6.856 1.228 3.418) 7.759 3.279 ( -40.782 0.106 0.563) 40.786 3.323 ( -39.506 -1.684 -0.628) 39.547 4.539 ( 7.749 -1.075 -0.674) 7.852 4.579 ( 7.065 -0.661 0.280) 7.101 4.833 ( -7.005 -0.590 -0.158) 7.031 4.854 ( -6.990 -0.338 0.153) 6.999 4.886 ( -5.725 -0.694 -1.164) 5.883 4.955 ( -5.263 0.750 1.475) 5.517 5.753 ( 19.944 -0.085 -0.067) 19.944 5.758 ( 19.915 -0.182 -0.092) 19.916 6.722 ( -1.471 0.582 -0.351) 1.620 6.740 ( -0.878 0.908 0.189) 1.277 6.803 ( -0.642 -0.108 0.694) 0.952 6.839 ( -0.850 -0.873 -0.486) 1.312 7.327 ( 1.826 -0.131 0.498) 1.897 7.357 ( 1.740 -0.841 -0.583) 2.019 8.144 ( -5.475 0.415 -0.075) 5.491 8.156 ( -5.520 0.354 0.050) 5.532 12.523 ( 0.693 0.340 0.152) 0.787 12.527 ( 0.084 0.155 0.033) 0.179 12.979 ( -0.550 -1.142 -0.374) 1.322 13.021 ( -1.530 -1.340 -0.581) 2.115 13.084 ( 1.224 -0.205 -0.405) 1.306 13.193 ( 1.310 1.605 0.634) 2.167 13.272 ( -1.696 -0.226 0.402) 1.758 13.574 ( 0.303 -1.399 -0.614) 1.557 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -6.876 -3.008 -1.418) 7.638 1.235 ( -6.421 -0.696 0.358) 6.468 1.337 ( -4.775 -1.268 1.174) 5.078 1.417 ( -7.337 -1.200 -0.473) 7.450 1.523 ( -1.110 0.511 -1.888) 2.249 1.648 ( 0.557 0.622 2.071) 2.232 1.680 ( -2.688 -0.133 0.922) 2.845 1.766 ( 3.866 0.752 2.606) 4.722 1.832 ( -0.519 0.463 -0.383) 0.794 1.868 ( -2.466 0.609 3.979) 4.721 1.929 ( 7.301 2.109 -2.389) 7.966 1.985 ( 3.581 1.463 -1.723) 4.234 2.019 ( 4.891 0.611 -1.912) 5.287 2.128 ( 8.503 1.103 -0.463) 8.587 2.163 ( 7.891 0.255 -1.214) 7.988 2.297 ( -0.006 1.632 -0.211) 1.646 2.474 ( 5.722 -4.973 -1.767) 7.784 2.524 ( 4.488 0.392 1.176) 4.656 2.594 ( 0.385 0.362 0.133) 0.545 2.694 ( 5.428 1.554 1.079) 5.749 2.885 ( -9.212 0.975 0.951) 9.312 2.927 ( -7.264 0.392 -0.542) 7.294 4.002 ( -37.131 -0.015 0.490) 37.135 4.020 ( -36.630 -0.775 -0.407) 36.641 4.398 ( 5.858 -0.916 -0.785) 5.981 4.460 ( 5.169 -0.064 0.550) 5.199 4.929 ( -4.018 -0.689 -0.233) 4.083 4.950 ( -3.674 -0.226 0.072) 3.682 4.960 ( -3.147 -0.218 -0.763) 3.245 5.038 ( -2.507 0.566 1.015) 2.764 5.334 ( 25.392 -0.055 -0.303) 25.394 5.348 ( 24.775 0.159 0.072) 24.776 6.748 ( -0.645 0.621 -0.031) 0.896 6.756 ( -0.478 0.309 -0.357) 0.672 6.815 ( -0.172 -0.104 0.681) 0.710 6.844 ( -0.850 -0.512 -0.295) 1.035 7.307 ( 0.549 -0.163 0.131) 0.587 7.334 ( 0.244 -0.386 -0.175) 0.489 8.221 ( -2.882 0.041 -0.288) 2.896 8.237 ( -2.911 0.253 0.156) 2.926 12.512 ( 0.728 0.214 -0.013) 0.759 12.529 ( -0.022 0.274 -0.022) 0.276 12.976 ( -0.492 -1.312 -0.138) 1.408 13.019 ( -0.681 -2.323 -2.453) 3.446 13.082 ( 0.407 1.700 2.100) 2.732 13.185 ( 0.989 0.879 1.726) 2.175 13.292 ( -0.776 0.514 -1.842) 2.064 13.556 ( 0.276 -1.164 0.053) 1.198 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -6.161 -0.654 0.036) 6.196 1.322 ( -5.561 -0.932 -2.305) 6.092 1.369 ( 1.854 0.255 -0.762) 2.021 1.450 ( 1.440 0.113 3.724) 3.994 1.613 ( -1.553 0.510 -1.709) 2.365 1.636 ( 1.039 -0.730 0.948) 1.585 1.691 ( 1.643 -0.146 -0.779) 1.824 1.735 ( 1.333 -0.542 2.196) 2.626 1.791 ( 2.994 2.727 -0.347) 4.065 1.841 ( 2.751 -0.461 -2.061) 3.468 1.878 ( 6.525 -0.227 -1.008) 6.606 1.926 ( -1.632 0.136 -1.420) 2.167 1.956 ( -2.622 0.367 3.599) 4.468 2.052 ( 0.090 -1.070 -0.029) 1.074 2.085 ( -0.696 -0.276 -1.717) 1.874 2.299 ( 0.375 -0.115 2.076) 2.112 2.369 ( -0.075 -3.701 -3.363) 5.001 2.539 ( -2.417 2.979 0.639) 3.889 2.613 ( -0.017 0.995 1.529) 1.824 2.633 ( 0.488 0.680 0.176) 0.855 2.967 ( 1.823 -0.363 -0.320) 1.886 2.991 ( 0.713 -0.818 -0.376) 1.148 4.335 ( -0.358 -0.146 -0.540) 0.664 4.395 ( -0.988 -0.067 0.080) 0.994 4.487 ( 1.243 0.456 0.353) 1.370 4.505 ( -2.675 0.099 0.181) 2.683 4.959 ( -0.215 0.231 0.187) 0.367 4.963 ( -0.082 0.165 -0.045) 0.189 4.974 ( 0.393 -0.282 -0.490) 0.688 4.989 ( -0.781 -0.209 0.025) 0.809 5.007 ( 0.692 -0.581 -0.348) 0.968 5.062 ( 0.759 0.276 0.322) 0.870 6.745 ( 0.617 -0.359 -0.152) 0.730 6.764 ( 0.211 0.138 0.100) 0.272 6.810 ( 0.245 -0.304 -0.377) 0.543 6.863 ( -0.825 0.568 0.441) 1.094 7.301 ( 0.033 -0.118 -0.242) 0.271 7.336 ( -0.465 0.056 0.185) 0.504 8.247 ( -0.132 -0.085 -0.174) 0.234 8.262 ( 0.385 -0.025 0.005) 0.386 12.501 ( 0.374 -0.181 -0.345) 0.540 12.531 ( 0.101 0.197 0.088) 0.238 12.976 ( -0.396 -1.087 -0.190) 1.173 13.007 ( -0.970 -1.606 -1.896) 2.667 13.095 ( 0.419 1.265 1.718) 2.174 13.189 ( 0.290 0.859 2.909) 3.047 13.295 ( -0.216 0.982 -3.486) 3.628 13.552 ( -0.568 -0.812 0.442) 1.084 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 15.612 -1.693 -1.382) 15.764 1.323 ( 6.818 2.717 0.514) 7.357 1.410 ( 1.089 3.894 0.810) 4.124 1.498 ( 0.436 0.393 3.202) 3.255 1.548 ( 0.534 0.615 -0.873) 1.194 1.579 ( 4.722 -2.573 -0.300) 5.386 1.619 ( 2.094 -1.004 -1.956) 3.036 1.696 ( 0.592 -0.768 -3.714) 3.838 1.802 ( -3.115 1.290 0.522) 3.411 1.829 ( -4.074 -0.037 -1.211) 4.250 1.903 ( -6.277 -2.881 1.093) 6.992 1.982 ( -1.129 0.253 0.760) 1.384 2.028 ( 1.039 -2.127 1.255) 2.679 2.102 ( -11.263 -1.172 0.246) 11.327 2.122 ( -3.406 0.313 -0.676) 3.486 2.318 ( -0.699 -0.250 3.107) 3.195 2.392 ( -6.034 -1.956 -3.055) 7.041 2.624 ( -4.686 1.139 0.461) 4.845 2.650 ( -4.301 2.089 0.864) 4.859 2.692 ( -4.697 1.782 0.144) 5.026 2.819 ( 11.871 -1.491 -1.230) 12.027 2.882 ( 9.320 -1.916 -0.295) 9.520 3.992 ( 37.349 -0.058 -0.385) 37.351 4.056 ( 35.126 0.824 0.333) 35.137 4.426 ( -6.291 0.295 0.014) 6.298 4.475 ( -5.757 0.712 0.348) 5.812 4.934 ( 3.525 -0.184 -0.105) 3.532 4.952 ( 3.497 -0.122 0.058) 3.500 4.968 ( 2.052 -0.058 -0.352) 2.082 5.019 ( 4.038 0.095 -0.013) 4.039 5.336 ( -25.384 -0.115 -0.011) 25.384 5.343 ( -25.524 -0.041 0.003) 25.524 6.727 ( 0.862 -0.511 -0.095) 1.007 6.747 ( 1.404 -0.384 0.119) 1.461 6.805 ( 0.205 0.097 -0.454) 0.507 6.877 ( 0.136 0.639 0.431) 0.783 7.303 ( -0.500 -0.023 -0.312) 0.590 7.352 ( -1.108 0.300 0.263) 1.178 8.222 ( 3.214 -0.084 0.094) 3.217 8.224 ( 3.103 -0.241 -0.204) 3.119 12.498 ( -0.502 -0.280 -0.303) 0.650 12.529 ( 0.202 0.049 0.062) 0.217 12.968 ( 0.120 -1.198 -0.588) 1.340 13.020 ( -1.583 -0.212 -0.750) 1.765 13.100 ( 0.243 0.205 1.038) 1.086 13.210 ( -0.122 0.785 4.183) 4.258 13.287 ( 0.134 1.717 -4.684) 4.991 13.567 ( -1.356 -0.585 0.643) 1.611 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 17.664 -2.244 -2.038) 17.922 1.115 ( 16.061 0.631 -0.294) 16.076 1.348 ( 10.055 2.682 1.472) 10.510 1.419 ( 2.284 -0.813 4.220) 4.867 1.462 ( 3.214 -1.496 -3.353) 4.880 1.628 ( -1.804 0.247 -0.746) 1.968 1.638 ( 2.280 0.255 -0.506) 2.350 1.661 ( -4.177 -0.668 -1.210) 4.399 1.914 ( -2.869 2.993 1.154) 4.304 1.930 ( 2.621 0.330 -1.069) 2.850 1.950 ( -4.461 0.837 -0.002) 4.539 1.982 ( -4.570 -3.293 0.002) 5.633 2.022 ( -3.047 -2.959 0.760) 4.315 2.211 ( -6.141 0.614 -0.417) 6.185 2.243 ( -2.465 -0.104 1.142) 2.719 2.321 ( 0.587 -0.837 0.441) 1.113 2.523 ( 15.304 -0.823 0.049) 15.326 2.547 ( -11.197 -1.579 0.473) 11.317 2.633 ( 12.580 0.413 -1.383) 12.663 2.760 ( -8.901 -0.320 -0.286) 8.911 2.808 ( -8.653 0.393 -0.017) 8.662 2.858 ( -11.246 0.837 -0.056) 11.278 3.266 ( 40.999 -0.104 -0.289) 41.001 3.388 ( 37.224 0.950 0.398) 37.238 4.566 ( -7.978 0.252 0.012) 7.982 4.608 ( -7.578 0.537 0.215) 7.600 4.839 ( 6.660 -0.023 -0.071) 6.660 4.855 ( 6.993 -0.081 -0.002) 6.993 4.912 ( 4.058 0.076 0.059) 4.059 4.919 ( 6.726 -0.156 -0.284) 6.734 5.753 ( -19.990 -0.019 -0.032) 19.990 5.764 ( -20.246 0.063 0.032) 20.246 6.708 ( 0.696 -0.331 -0.023) 0.771 6.716 ( 1.599 -0.233 -0.025) 1.616 6.796 ( 0.662 0.031 -0.214) 0.696 6.869 ( 1.311 0.333 0.208) 1.369 7.322 ( -1.887 0.015 -0.186) 1.896 7.385 ( -2.292 0.302 0.195) 2.320 8.130 ( 6.186 -0.232 -0.071) 6.191 8.151 ( 5.202 -0.058 0.052) 5.202 12.514 ( -1.429 -0.094 -0.066) 1.433 12.526 ( 0.178 0.014 0.000) 0.178 12.954 ( 0.286 -0.682 -0.330) 0.810 13.045 ( -1.132 0.446 -0.219) 1.236 13.103 ( -0.480 -0.420 0.558) 0.848 13.217 ( 1.829 -0.444 2.339) 3.002 13.292 ( -1.152 2.629 -2.610) 3.879 13.595 ( -1.658 -0.402 0.669) 1.833 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -0.000 17.473 6.163) 18.528 0.374 ( -0.000 10.404 12.812) 16.504 0.569 ( -0.000 15.702 12.854) 20.292 0.754 ( -0.000 12.117 3.029) 12.490 0.926 ( -0.000 8.801 -7.762) 11.734 1.425 ( -0.000 1.057 4.204) 4.335 1.500 ( 0.000 -0.200 -1.514) 1.527 1.625 ( 0.000 -3.242 -9.668) 10.197 1.715 ( 0.000 0.298 -0.477) 0.562 1.788 ( -0.000 1.384 1.621) 2.132 1.902 ( 0.000 -1.587 -1.793) 2.394 1.952 ( 0.000 -6.946 -2.893) 7.524 2.091 ( -0.000 2.466 0.382) 2.496 2.120 ( 0.000 1.228 -2.907) 3.156 2.169 ( 0.000 -1.593 -0.929) 1.844 2.264 ( 0.000 -8.356 5.873) 10.214 2.300 ( -0.000 1.623 0.608) 1.733 2.351 ( 0.000 -5.222 3.059) 6.052 2.502 ( -0.000 3.313 2.952) 4.438 2.708 ( 0.000 4.463 -6.327) 7.743 3.188 ( 0.000 -3.076 2.839) 4.186 3.204 ( 0.000 -0.511 0.467) 0.692 3.287 ( -0.000 0.352 0.713) 0.795 3.391 ( 0.000 2.729 -4.588) 5.338 4.493 ( 0.000 -1.418 0.023) 1.418 4.502 ( 0.000 -1.620 -0.208) 1.633 4.533 ( -0.000 0.622 2.181) 2.268 4.704 ( 0.000 -0.335 -2.434) 2.457 4.817 ( 0.000 -0.433 0.321) 0.539 4.856 ( 0.000 -1.157 -0.573) 1.291 6.248 ( -0.000 0.487 0.372) 0.613 6.279 ( 0.000 0.092 -0.357) 0.368 6.684 ( 0.000 -1.828 1.510) 2.371 6.709 ( 0.000 -0.702 -0.067) 0.705 6.766 ( -0.000 0.513 0.098) 0.522 6.789 ( -0.000 1.278 -1.186) 1.743 7.554 ( -0.000 1.050 0.249) 1.079 7.575 ( -0.000 0.663 -0.101) 0.671 7.796 ( 0.000 -0.326 -0.009) 0.327 7.796 ( 0.000 -0.323 -0.023) 0.324 12.530 ( -0.000 -0.058 0.245) 0.252 12.568 ( 0.000 -0.332 -0.797) 0.864 12.848 ( -0.000 0.619 0.688) 0.925 12.959 ( 0.000 2.046 -4.676) 5.104 13.084 ( -0.000 2.272 0.970) 2.470 13.154 ( -0.000 1.982 -0.984) 2.213 13.367 ( 0.000 -1.326 -0.235) 1.347 13.369 ( 0.000 0.779 -0.955) 1.232 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -9.566 7.753 10.401) 16.118 0.711 ( -9.308 11.176 11.389) 18.473 0.951 ( -7.538 6.735 -5.436) 11.478 1.100 ( -27.768 10.853 0.807) 29.824 1.197 ( -22.641 11.552 0.972) 25.436 1.469 ( 1.337 -1.505 -5.188) 5.565 1.546 ( -6.003 1.925 1.234) 6.424 1.597 ( -7.508 -0.872 -3.237) 8.222 1.719 ( -0.994 -0.291 0.901) 1.373 1.778 ( -0.657 -1.550 2.502) 3.016 1.878 ( -1.353 -2.002 -5.144) 5.683 1.990 ( -5.846 -0.442 -2.356) 6.319 2.127 ( -1.597 -1.810 0.004) 2.413 2.163 ( -5.930 0.052 -1.004) 6.015 2.182 ( -2.476 -0.860 1.830) 3.197 2.278 ( -4.957 -0.879 -0.107) 5.036 2.318 ( -3.530 -1.832 1.936) 4.423 2.364 ( -2.965 -3.094 0.426) 4.307 2.484 ( 4.861 3.921 1.071) 6.337 2.555 ( 10.560 0.316 -0.305) 10.569 3.066 ( 8.955 -0.773 -0.425) 8.998 3.143 ( 9.190 0.658 0.740) 9.243 3.221 ( 7.276 -0.276 2.027) 7.558 3.276 ( 10.087 -0.208 -1.181) 10.158 4.549 ( -6.772 -1.496 0.156) 6.937 4.560 ( -7.018 -0.889 -0.063) 7.074 4.622 ( -7.115 -0.097 1.316) 7.236 4.729 ( -3.051 -0.486 -1.870) 3.612 4.791 ( 1.964 -0.337 0.368) 2.026 4.813 ( 3.252 -1.298 -0.494) 3.536 6.210 ( 5.306 0.108 0.021) 5.307 6.228 ( 5.794 -0.018 -0.180) 5.797 6.677 ( -0.328 -0.532 0.536) 0.824 6.711 ( -0.250 -0.188 0.095) 0.327 6.775 ( -0.657 0.292 0.056) 0.722 6.801 ( -1.018 0.543 -0.154) 1.164 7.483 ( 6.382 0.035 -0.125) 6.383 7.507 ( 5.398 0.052 -0.162) 5.400 7.880 ( -7.338 0.331 0.234) 7.349 7.893 ( -7.966 0.051 -0.135) 7.967 12.528 ( 0.237 -0.058 0.327) 0.408 12.556 ( 0.686 -0.275 -0.589) 0.945 12.918 ( -3.929 -0.848 -0.164) 4.023 12.977 ( -2.382 -0.934 -3.011) 3.951 13.122 ( -1.387 1.534 0.066) 2.069 13.152 ( 1.025 2.658 -1.011) 3.022 13.288 ( 1.746 -3.103 1.402) 3.826 13.506 ( -6.843 -0.338 -3.310) 7.609 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -9.808 5.637 9.504) 14.775 0.962 ( -6.734 7.091 6.111) 11.531 1.101 ( -7.363 3.525 -5.020) 9.584 1.295 ( 0.201 1.311 -8.150) 8.257 1.470 ( -3.025 0.171 1.688) 3.469 1.616 ( -6.615 0.533 2.837) 7.218 1.642 ( -2.309 1.564 -1.536) 3.184 1.712 ( -3.568 1.920 2.052) 4.542 1.762 ( -3.559 -1.340 -4.059) 5.562 1.883 ( -8.014 0.599 2.480) 8.411 1.941 ( -0.401 -1.982 1.117) 2.310 2.075 ( -10.267 2.858 -5.195) 11.856 2.181 ( 0.905 2.353 -2.017) 3.229 2.193 ( 6.788 -0.659 3.690) 7.754 2.321 ( -10.038 1.711 0.995) 10.231 2.339 ( 1.789 2.287 1.320) 3.190 2.380 ( -10.389 1.244 -1.806) 10.618 2.395 ( 4.492 -0.226 0.841) 4.576 2.601 ( -28.610 -1.214 -0.361) 28.638 2.650 ( -26.034 -1.702 -0.478) 26.093 2.867 ( 11.635 0.166 -0.828) 11.666 2.935 ( 12.291 -1.486 -0.540) 12.392 3.021 ( 13.921 -2.401 0.353) 14.131 3.085 ( 9.641 0.377 2.230) 9.902 4.664 ( 1.365 -1.184 -0.253) 1.825 4.682 ( -1.036 -0.897 -0.211) 1.386 4.711 ( -6.382 -0.662 0.505) 6.436 4.722 ( -0.867 -0.404 -0.529) 1.093 4.771 ( -6.345 -1.166 -0.513) 6.471 4.849 ( -5.986 0.657 0.830) 6.079 6.049 ( 12.594 -0.064 0.013) 12.594 6.058 ( 12.958 -0.212 -0.119) 12.960 6.692 ( -1.296 0.070 -0.083) 1.300 6.720 ( -0.609 0.667 0.237) 0.934 6.791 ( -0.964 -0.164 0.333) 1.033 6.823 ( -1.161 -0.165 -0.258) 1.200 7.384 ( 4.173 -0.211 0.447) 4.202 7.412 ( 4.087 -0.727 -0.662) 4.204 8.023 ( -7.313 0.687 0.337) 7.353 8.036 ( -7.357 0.292 -0.248) 7.367 12.526 ( 0.119 -0.023 0.188) 0.224 12.539 ( 0.844 0.099 -0.079) 0.853 12.966 ( -1.733 -0.368 0.139) 1.777 12.997 ( -2.196 -2.077 -1.317) 3.297 13.110 ( 1.510 -0.315 -0.771) 1.724 13.179 ( -0.266 3.696 -1.345) 3.942 13.268 ( -0.710 -2.658 2.548) 3.750 13.567 ( -2.002 -0.832 -1.755) 2.790 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -5.894 4.328 5.191) 8.967 1.102 ( -7.399 -1.338 1.627) 7.693 1.235 ( -7.627 0.224 -0.827) 7.675 1.286 ( -3.282 0.491 -6.158) 6.996 1.512 ( -1.130 -0.420 0.240) 1.229 1.648 ( -1.283 -1.398 2.056) 2.797 1.663 ( 0.342 0.467 0.040) 0.580 1.789 ( -2.332 -0.144 -0.116) 2.339 1.799 ( -2.277 0.830 0.408) 2.457 1.877 ( 1.603 -1.840 0.783) 2.563 2.012 ( -0.717 -0.518 1.919) 2.113 2.053 ( 6.642 1.129 0.141) 6.739 2.082 ( 7.575 2.993 -2.802) 8.614 2.212 ( -3.062 4.070 -1.448) 5.294 2.270 ( 6.698 1.767 0.986) 6.997 2.315 ( 5.281 0.253 -1.327) 5.451 2.564 ( -7.279 2.740 -0.722) 7.811 2.611 ( -11.085 2.221 0.434) 11.314 2.656 ( 9.417 -1.544 1.306) 9.632 2.704 ( 10.672 -3.135 -2.108) 11.321 2.785 ( 4.042 -1.880 -0.093) 4.459 2.898 ( 6.719 1.553 2.301) 7.270 3.285 ( -40.949 -0.152 0.637) 40.954 3.317 ( -39.297 -1.298 -0.686) 39.325 4.534 ( 7.766 -1.213 -0.478) 7.875 4.581 ( 7.006 -0.409 0.157) 7.020 4.832 ( -7.030 -0.734 -0.117) 7.069 4.856 ( -6.911 -0.308 0.214) 6.921 4.877 ( -5.850 -0.917 -0.829) 5.979 4.966 ( -5.171 0.892 0.981) 5.338 5.752 ( 20.004 -0.161 -0.055) 20.005 5.757 ( 19.859 -0.164 -0.074) 19.859 6.720 ( -1.513 0.490 -0.213) 1.605 6.741 ( -0.723 0.888 0.077) 1.148 6.809 ( -0.927 -0.273 0.760) 1.229 6.835 ( -0.645 -0.634 -0.588) 1.079 7.331 ( 1.882 -0.293 0.624) 2.005 7.352 ( 1.635 -0.699 -0.693) 1.908 8.144 ( -5.322 0.303 -0.055) 5.331 8.157 ( -5.637 0.423 0.035) 5.653 12.525 ( 0.490 0.300 0.154) 0.595 12.527 ( 0.324 0.175 -0.002) 0.368 12.978 ( -0.666 -1.508 0.285) 1.673 13.010 ( -1.271 -2.065 -1.780) 3.008 13.089 ( 0.713 0.761 1.158) 1.558 13.191 ( 1.081 3.519 -0.790) 3.765 13.278 ( -1.215 -2.338 0.897) 2.783 13.569 ( 0.069 -1.020 -0.529) 1.151 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -6.742 -3.109 -0.740) 7.461 1.236 ( -4.540 -1.245 0.004) 4.708 1.343 ( -4.871 -1.263 0.422) 5.049 1.418 ( -10.339 -0.322 0.360) 10.350 1.509 ( 0.088 0.131 -1.211) 1.221 1.660 ( 0.707 0.508 0.435) 0.973 1.692 ( -3.425 -0.446 1.886) 3.935 1.794 ( 4.259 1.074 3.697) 5.742 1.824 ( -0.670 0.076 -1.203) 1.379 1.874 ( 1.299 1.583 -2.585) 3.298 1.930 ( 4.064 1.646 2.393) 4.995 1.970 ( 3.333 1.667 -1.539) 4.032 2.007 ( 4.752 0.179 -1.148) 4.892 2.123 ( 9.254 1.478 -0.532) 9.386 2.155 ( 8.037 -0.815 -0.683) 8.107 2.295 ( -0.988 2.968 -0.120) 3.131 2.462 ( 6.939 -6.261 -1.042) 9.404 2.532 ( 3.474 -0.752 0.715) 3.625 2.596 ( 0.580 1.859 0.326) 1.974 2.699 ( 4.843 2.192 0.278) 5.323 2.892 ( -8.705 0.728 0.767) 8.769 2.923 ( -6.965 0.026 -0.442) 6.980 4.006 ( -37.047 -0.190 0.572) 37.052 4.016 ( -36.764 -0.604 -0.523) 36.772 4.392 ( 5.895 -1.033 -0.426) 6.000 4.464 ( 5.141 0.144 0.282) 5.151 4.928 ( -4.071 -0.870 -0.147) 4.165 4.951 ( -3.615 -0.207 0.097) 3.623 4.955 ( -3.318 -0.319 -0.449) 3.363 5.044 ( -2.366 0.685 0.557) 2.525 5.332 ( 25.479 -0.114 -0.175) 25.480 5.348 ( 24.725 0.156 0.030) 24.726 6.748 ( -0.874 0.573 0.078) 1.048 6.753 ( -0.297 0.261 -0.307) 0.500 6.820 ( 0.224 -0.422 0.508) 0.697 6.842 ( -1.197 -0.097 -0.280) 1.233 7.308 ( 0.684 -0.351 0.090) 0.774 7.333 ( 0.098 -0.227 -0.117) 0.274 8.219 ( -2.890 -0.018 -0.158) 2.894 8.238 ( -2.899 0.232 0.077) 2.909 12.512 ( 0.812 0.030 -0.010) 0.813 12.529 ( -0.040 0.348 -0.011) 0.350 12.978 ( -0.544 -1.632 0.556) 1.807 13.000 ( -0.616 -2.194 -1.993) 3.027 13.098 ( 0.303 1.564 1.540) 2.216 13.195 ( 1.032 3.154 0.658) 3.383 13.279 ( -0.729 -1.918 -1.119) 2.337 13.556 ( 0.182 -0.895 0.015) 0.914 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -5.607 -0.587 -0.022) 5.637 1.308 ( -7.377 -1.000 -0.932) 7.503 1.365 ( 3.129 -0.329 -0.200) 3.152 1.479 ( 1.245 0.278 2.352) 2.676 1.591 ( -1.750 1.086 -2.064) 2.916 1.655 ( 0.906 -0.935 2.551) 2.864 1.676 ( 1.392 -1.018 -2.281) 2.859 1.749 ( 8.600 2.586 0.754) 9.012 1.795 ( -2.604 -0.059 0.920) 2.762 1.826 ( 3.296 -0.003 -1.229) 3.517 1.873 ( 6.227 -0.159 -0.268) 6.235 1.915 ( -2.838 -0.140 -0.914) 2.985 1.979 ( -1.684 0.548 1.505) 2.324 2.056 ( -0.200 -1.335 0.931) 1.640 2.070 ( -1.351 -0.291 -1.707) 2.197 2.316 ( 0.079 0.992 1.673) 1.947 2.345 ( 0.005 -4.785 -2.110) 5.229 2.543 ( -2.452 2.267 0.236) 3.348 2.622 ( -1.062 2.163 0.679) 2.503 2.633 ( 1.900 0.458 -0.101) 1.957 2.965 ( 2.152 -0.486 -0.127) 2.210 2.989 ( 0.523 -0.974 -0.134) 1.114 4.331 ( -0.302 -0.315 -0.198) 0.479 4.396 ( -1.008 -0.041 0.022) 1.009 4.489 ( 2.004 0.492 0.161) 2.070 4.506 ( -3.593 0.234 0.044) 3.601 4.960 ( -0.725 -0.042 0.093) 0.732 4.963 ( 0.864 0.518 0.031) 1.008 4.970 ( 0.108 -0.377 -0.287) 0.487 4.990 ( -0.992 -0.326 0.087) 1.048 5.005 ( 0.786 -0.647 -0.173) 1.033 5.064 ( 0.796 0.348 0.115) 0.876 6.744 ( 0.617 -0.414 -0.048) 0.745 6.764 ( 0.083 0.186 0.022) 0.205 6.808 ( 0.437 -0.402 -0.122) 0.606 6.866 ( -0.893 0.678 0.153) 1.132 7.300 ( 0.088 -0.194 -0.087) 0.230 7.337 ( -0.520 0.112 0.065) 0.536 8.246 ( -0.199 -0.143 -0.064) 0.253 8.262 ( 0.437 -0.027 -0.000) 0.438 12.499 ( 0.412 -0.285 -0.126) 0.516 12.531 ( 0.086 0.211 0.028) 0.230 12.976 ( -0.212 -1.643 0.113) 1.660 12.995 ( -1.204 -1.114 -0.834) 1.840 13.106 ( 0.417 0.899 0.658) 1.189 13.211 ( 0.439 3.335 1.878) 3.853 13.269 ( -0.341 -1.433 -2.161) 2.615 13.555 ( -0.621 -0.622 0.153) 0.892 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 16.091 -1.821 -0.000) 16.194 1.325 ( 6.351 2.615 -0.000) 6.868 1.414 ( 0.847 4.678 -0.000) 4.754 1.519 ( 6.491 1.591 -0.000) 6.683 1.534 ( -7.204 -1.170 0.000) 7.298 1.582 ( 5.776 -3.202 -0.000) 6.604 1.611 ( 2.908 -0.956 -0.000) 3.061 1.677 ( 1.285 -0.251 -0.000) 1.310 1.806 ( -3.779 1.296 0.000) 3.996 1.823 ( -3.955 0.119 0.000) 3.957 1.908 ( -6.082 -3.105 0.000) 6.828 1.985 ( -0.791 0.315 0.000) 0.851 2.034 ( 0.754 -2.417 -0.000) 2.532 2.103 ( -11.620 -1.180 0.000) 11.680 2.119 ( -3.272 0.516 0.000) 3.313 2.334 ( -0.138 0.205 0.000) 0.248 2.376 ( -6.866 -2.356 0.000) 7.258 2.626 ( -4.878 1.422 0.000) 5.081 2.655 ( -4.281 1.731 0.000) 4.618 2.693 ( -4.812 1.945 0.000) 5.190 2.814 ( 12.371 -1.558 -0.000) 12.469 2.881 ( 9.388 -1.982 -0.000) 9.594 3.990 ( 37.365 -0.079 -0.000) 37.365 4.058 ( 34.992 0.847 -0.000) 35.002 4.426 ( -6.258 0.241 0.000) 6.263 4.477 ( -5.736 0.786 0.000) 5.790 4.934 ( 3.525 -0.202 -0.000) 3.531 4.952 ( 3.504 -0.118 -0.000) 3.506 4.966 ( 1.961 -0.166 -0.000) 1.968 5.019 ( 4.134 0.180 -0.000) 4.138 5.336 ( -25.362 -0.145 0.000) 25.362 5.343 ( -25.544 -0.026 0.000) 25.544 6.726 ( 0.846 -0.531 -0.000) 0.999 6.747 ( 1.432 -0.385 -0.000) 1.483 6.803 ( 0.205 0.096 -0.000) 0.226 6.879 ( 0.134 0.661 -0.000) 0.675 7.302 ( -0.484 -0.043 0.000) 0.486 7.353 ( -1.131 0.312 0.000) 1.173 8.223 ( 3.711 -0.216 -0.000) 3.717 8.223 ( 2.587 -0.127 -0.000) 2.590 12.497 ( -0.528 -0.304 0.000) 0.609 12.529 ( 0.210 0.048 -0.000) 0.215 12.965 ( 0.126 -1.334 0.000) 1.340 13.017 ( -1.630 -0.099 0.000) 1.633 13.104 ( 0.197 0.053 -0.000) 0.204 13.244 ( -0.436 3.773 -0.000) 3.798 13.252 ( 0.462 -1.250 -0.000) 1.332 13.570 ( -1.418 -0.480 0.000) 1.497 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 11.091 0.000 13.994) 17.856 0.817 ( 18.604 0.000 3.517) 18.933 1.105 ( 11.438 -0.000 -5.391) 12.644 1.324 ( 4.062 -0.000 -4.655) 6.178 1.457 ( 0.020 -0.000 -0.986) 0.986 1.530 ( 18.933 0.000 4.004) 19.351 1.661 ( 4.526 -0.000 -2.726) 5.283 1.670 ( -1.102 0.000 0.544) 1.229 1.766 ( 7.311 0.000 3.947) 8.309 1.949 ( -0.414 -0.000 -3.254) 3.280 1.964 ( 8.661 0.000 0.853) 8.703 2.038 ( 1.648 -0.000 -4.885) 5.156 2.117 ( -6.732 0.000 4.512) 8.104 2.181 ( -3.128 -0.000 -3.712) 4.854 2.254 ( 11.908 0.000 1.656) 12.023 2.337 ( -4.257 -0.000 0.707) 4.316 2.340 ( 0.439 0.000 2.684) 2.720 2.370 ( 10.715 0.000 -1.202) 10.782 2.612 ( 24.937 0.000 0.463) 24.942 2.761 ( 21.325 -0.000 -4.959) 21.894 2.845 ( -13.777 0.000 2.849) 14.068 2.950 ( -8.324 -0.000 0.109) 8.324 3.025 ( -10.467 0.000 2.851) 10.848 3.086 ( -12.180 -0.000 0.070) 12.181 4.694 ( -3.095 -0.000 -0.259) 3.105 4.707 ( 5.121 0.000 0.399) 5.136 4.709 ( 8.742 0.000 0.269) 8.747 4.727 ( -4.476 -0.000 -1.190) 4.631 4.785 ( 6.648 0.000 1.136) 6.744 4.834 ( 4.740 0.000 -0.162) 4.742 6.050 ( -12.688 -0.000 0.042) 12.688 6.063 ( -12.804 -0.000 -0.258) 12.807 6.692 ( 1.006 0.000 0.407) 1.086 6.700 ( 0.177 0.000 0.051) 0.185 6.787 ( 0.904 0.000 0.726) 1.159 6.833 ( 2.093 -0.000 -0.505) 2.153 7.383 ( -4.364 -0.000 0.538) 4.397 7.435 ( -3.778 -0.000 -0.979) 3.902 8.007 ( 7.356 0.000 0.324) 7.363 8.034 ( 7.312 0.000 -0.402) 7.323 12.525 ( -0.076 0.000 0.132) 0.152 12.540 ( -1.417 -0.000 -0.290) 1.446 12.953 ( 0.720 0.000 0.834) 1.102 13.052 ( 0.954 -0.000 -1.052) 1.420 13.104 ( -1.399 -0.000 -1.268) 1.888 13.145 ( 2.613 -0.000 -1.753) 3.147 13.358 ( -0.527 0.000 2.713) 2.764 13.577 ( 0.718 -0.000 -4.802) 4.856 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -0.000 15.276 7.275) 16.920 0.472 ( -0.000 13.118 10.690) 16.922 0.638 ( -0.000 6.723 2.138) 7.055 0.835 ( -0.000 13.577 16.763) 21.571 0.853 ( 0.000 9.048 -9.326) 12.994 1.456 ( -0.000 0.599 2.406) 2.480 1.489 ( 0.000 0.169 -0.998) 1.012 1.518 ( 0.000 -0.055 -14.955) 14.955 1.717 ( -0.000 -0.259 1.171) 1.199 1.797 ( -0.000 0.295 0.271) 0.401 1.895 ( 0.000 -2.077 0.252) 2.092 1.935 ( 0.000 -7.366 -1.289) 7.478 2.092 ( -0.000 1.535 -0.440) 1.597 2.093 ( 0.000 1.815 -3.039) 3.539 2.168 ( 0.000 -1.406 0.877) 1.658 2.266 ( 0.000 -3.211 -2.429) 4.026 2.334 ( -0.000 -2.675 4.569) 5.294 2.372 ( 0.000 -5.098 1.747) 5.389 2.530 ( -0.000 3.255 3.738) 4.956 2.662 ( 0.000 4.160 -4.680) 6.261 3.206 ( 0.000 -2.720 1.488) 3.101 3.208 ( 0.000 -0.714 0.553) 0.903 3.294 ( -0.000 0.415 1.028) 1.109 3.358 ( 0.000 2.254 -3.267) 3.969 4.493 ( 0.000 -1.478 0.086) 1.481 4.500 ( 0.000 -1.616 -0.255) 1.636 4.555 ( -0.000 0.598 3.042) 3.100 4.679 ( 0.000 -0.107 -3.304) 3.305 4.821 ( 0.000 -0.693 0.648) 0.949 4.850 ( 0.000 -1.119 -0.777) 1.362 6.252 ( -0.000 0.487 0.540) 0.727 6.275 ( 0.000 0.274 -0.610) 0.669 6.694 ( 0.000 -1.699 0.940) 1.942 6.708 ( 0.000 -0.789 -0.121) 0.798 6.767 ( -0.000 0.559 0.156) 0.580 6.780 ( -0.000 1.195 -0.790) 1.433 7.556 ( -0.000 1.088 0.373) 1.150 7.573 ( -0.000 0.956 -0.396) 1.034 7.795 ( 0.000 -0.323 -0.006) 0.323 7.796 ( 0.000 -0.321 -0.025) 0.322 12.533 ( -0.000 -0.020 0.438) 0.438 12.561 ( 0.000 -0.227 -0.980) 1.006 12.855 ( -0.000 0.680 1.080) 1.276 12.926 ( 0.000 1.713 -3.404) 3.811 13.094 ( -0.000 2.116 1.328) 2.498 13.144 ( -0.000 1.954 -1.323) 2.360 13.364 ( 0.000 0.280 -0.404) 0.491 13.365 ( 0.000 -1.106 -0.264) 1.137 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -9.912 8.029 8.905) 15.556 0.810 ( -10.470 7.224 9.612) 15.943 0.908 ( -5.931 7.501 -2.860) 9.981 1.091 ( -22.973 8.178 -3.307) 24.609 1.219 ( -22.988 12.336 4.339) 26.447 1.418 ( -0.001 1.584 -6.657) 6.843 1.551 ( -5.916 2.040 -0.191) 6.261 1.567 ( -8.374 0.472 -3.349) 9.031 1.735 ( -2.265 -1.151 2.871) 3.834 1.796 ( -0.518 -2.339 1.706) 2.941 1.839 ( -1.602 -2.406 -4.040) 4.968 1.975 ( -4.138 -0.746 -1.272) 4.393 2.122 ( -2.089 -0.705 -1.166) 2.495 2.159 ( -6.599 -0.126 0.697) 6.636 2.192 ( -4.895 -2.133 0.146) 5.342 2.273 ( -6.714 -1.328 -0.677) 6.877 2.334 ( -0.137 1.224 1.361) 1.835 2.368 ( -1.015 -4.993 0.640) 5.135 2.491 ( 6.338 4.488 0.663) 7.794 2.554 ( 8.152 -0.512 0.047) 8.169 3.064 ( 9.528 -1.330 -0.053) 9.620 3.148 ( 9.552 0.662 0.452) 9.585 3.236 ( 6.480 -0.357 1.519) 6.665 3.266 ( 9.204 -0.525 -1.071) 9.281 4.551 ( -6.850 -1.485 0.216) 7.012 4.558 ( -7.170 -1.094 -0.257) 7.257 4.636 ( -6.186 -0.286 1.857) 6.465 4.712 ( -3.807 -0.140 -2.098) 4.350 4.794 ( 2.135 -0.505 0.398) 2.230 4.808 ( 2.942 -1.153 -0.557) 3.209 6.210 ( 5.464 0.147 0.142) 5.468 6.226 ( 5.699 0.144 -0.265) 5.707 6.681 ( -0.078 -0.670 0.351) 0.760 6.711 ( -0.328 -0.187 0.078) 0.385 6.775 ( -0.794 0.140 0.046) 0.807 6.800 ( -1.145 0.545 -0.116) 1.273 7.482 ( 6.195 0.020 -0.091) 6.195 7.506 ( 5.778 0.331 -0.111) 5.788 7.882 ( -7.466 0.318 0.294) 7.479 7.891 ( -7.863 0.174 -0.244) 7.869 12.532 ( 0.296 -0.067 0.436) 0.531 12.550 ( 0.514 -0.090 -0.644) 0.829 12.917 ( -3.883 -0.564 -0.108) 3.925 12.955 ( -2.900 -0.464 -2.171) 3.652 13.122 ( -0.281 1.158 0.101) 1.196 13.145 ( 0.577 2.874 -0.670) 3.007 13.299 ( 1.188 -2.620 0.966) 3.034 13.483 ( -6.375 0.570 -2.211) 6.771 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -9.946 3.839 7.869) 13.251 1.016 ( -4.853 5.231 3.751) 8.062 1.066 ( -7.104 4.881 -0.493) 8.633 1.219 ( -0.244 3.041 -9.650) 10.120 1.485 ( -2.926 -0.236 1.779) 3.433 1.626 ( -3.127 2.018 -1.766) 4.120 1.633 ( -7.873 1.428 1.294) 8.105 1.729 ( -0.374 -1.834 -2.163) 2.860 1.738 ( -5.187 0.412 1.958) 5.559 1.899 ( -5.575 -0.539 1.245) 5.738 1.954 ( -2.140 -1.053 2.030) 3.132 2.034 ( -12.199 4.058 -4.282) 13.550 2.165 ( 1.908 3.242 -1.615) 4.094 2.219 ( 8.419 -1.150 2.224) 8.783 2.330 ( -7.808 0.584 1.119) 7.909 2.348 ( -0.948 2.119 0.566) 2.389 2.365 ( -10.637 1.901 -1.309) 10.884 2.400 ( 4.970 -0.210 0.420) 4.992 2.599 ( -30.522 -2.160 -0.242) 30.599 2.646 ( -25.270 -0.364 -0.484) 25.277 2.864 ( 11.154 -0.567 -0.098) 11.169 2.931 ( 13.081 -1.334 -0.413) 13.155 3.022 ( 14.026 -2.809 0.028) 14.304 3.100 ( 9.186 0.676 1.333) 9.307 4.662 ( 2.902 -1.035 -0.158) 3.085 4.680 ( -3.337 -1.086 -0.154) 3.512 4.714 ( -1.588 -0.466 0.118) 1.659 4.720 ( -4.982 -0.525 -0.007) 5.010 4.767 ( -6.104 -1.511 -0.357) 6.298 4.854 ( -6.256 0.912 0.450) 6.338 6.049 ( 12.578 -0.103 0.025) 12.579 6.057 ( 12.983 -0.158 -0.091) 12.984 6.692 ( -1.191 -0.011 -0.039) 1.191 6.722 ( -0.622 0.687 0.126) 0.935 6.794 ( -1.239 -0.442 0.240) 1.337 6.821 ( -0.928 0.054 -0.189) 0.949 7.387 ( 3.835 -0.364 0.425) 3.876 7.407 ( 4.386 -0.525 -0.555) 4.452 8.026 ( -7.238 0.600 0.373) 7.272 8.033 ( -7.384 0.417 -0.321) 7.402 12.527 ( 0.225 -0.049 0.140) 0.269 12.538 ( 0.683 0.221 -0.068) 0.721 12.968 ( -1.982 -0.836 0.479) 2.204 12.985 ( -2.293 -1.797 -1.336) 3.205 13.107 ( 1.124 -0.236 -0.013) 1.148 13.169 ( 0.238 3.984 -0.973) 4.108 13.285 ( -0.830 -2.710 1.435) 3.176 13.554 ( -2.318 -0.278 -1.098) 2.580 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -3.880 -1.729 0.232) 4.254 1.147 ( -6.548 3.026 4.805) 8.667 1.228 ( -8.742 1.371 -1.336) 8.949 1.239 ( -4.544 1.287 -3.730) 6.018 1.514 ( -0.552 -0.720 0.097) 0.912 1.655 ( -1.061 -0.087 -0.011) 1.065 1.673 ( -0.402 -2.168 1.659) 2.759 1.765 ( -2.900 2.068 -2.276) 4.227 1.819 ( -3.002 -0.815 1.548) 3.474 1.882 ( 1.469 -1.505 0.308) 2.126 2.027 ( -1.603 -0.793 1.263) 2.189 2.053 ( 8.255 2.385 0.084) 8.593 2.063 ( 8.453 1.606 -1.597) 8.751 2.203 ( -3.896 4.949 -0.650) 6.332 2.277 ( 6.554 1.686 0.463) 6.784 2.306 ( 6.542 0.230 -0.591) 6.573 2.560 ( -7.699 3.003 -0.254) 8.268 2.614 ( -11.754 2.687 0.177) 12.059 2.667 ( 9.743 -2.723 1.292) 10.199 2.688 ( 10.636 -3.065 -1.562) 11.179 2.784 ( 4.378 -2.023 -0.039) 4.823 2.911 ( 6.624 1.702 0.808) 6.887 3.289 ( -41.233 -0.433 0.354) 41.237 3.312 ( -38.980 -0.938 -0.372) 38.993 4.532 ( 7.776 -1.280 -0.171) 7.882 4.582 ( 6.970 -0.273 0.048) 6.975 4.832 ( -7.040 -0.816 -0.042) 7.088 4.857 ( -6.866 -0.257 0.138) 6.872 4.872 ( -5.916 -1.075 -0.344) 6.023 4.971 ( -5.125 0.962 0.344) 5.226 5.752 ( 20.045 -0.211 -0.021) 20.046 5.757 ( 19.820 -0.151 -0.028) 19.821 6.719 ( -1.533 0.439 -0.071) 1.597 6.741 ( -0.639 0.871 0.018) 1.081 6.815 ( -1.316 -0.507 0.456) 1.483 6.830 ( -0.298 -0.354 -0.390) 0.606 7.337 ( 2.090 -0.506 0.537) 2.216 7.346 ( 1.398 -0.499 -0.563) 1.588 8.143 ( -5.234 0.240 -0.020) 5.240 8.157 ( -5.703 0.461 0.012) 5.721 12.526 ( 0.168 0.263 0.091) 0.325 12.527 ( 0.669 0.201 -0.032) 0.700 12.983 ( -0.836 -1.842 0.943) 2.232 12.995 ( -0.975 -2.061 -1.564) 2.765 13.098 ( 0.289 0.875 0.711) 1.164 13.184 ( 1.001 4.429 -0.595) 4.579 13.284 ( -0.907 -3.242 0.427) 3.393 13.566 ( -0.077 -0.776 -0.211) 0.808 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 -0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -6.701 -3.153 0.000) 7.406 1.236 ( -3.732 -1.447 0.000) 4.002 1.345 ( -5.097 -1.269 0.000) 5.253 1.420 ( -11.756 0.060 0.000) 11.757 1.504 ( 0.920 -0.080 -0.000) 0.924 1.660 ( 0.462 0.401 -0.000) 0.611 1.702 ( -3.234 -0.458 0.000) 3.266 1.812 ( -0.935 2.204 0.000) 2.394 1.822 ( 4.556 -1.827 -0.000) 4.909 1.853 ( 3.105 2.691 -0.000) 4.109 1.945 ( 2.320 1.399 -0.000) 2.709 1.961 ( 3.238 2.003 -0.000) 3.808 2.001 ( 4.667 -0.241 -0.000) 4.674 2.121 ( 9.549 1.684 -0.000) 9.696 2.152 ( 8.143 -1.213 -0.000) 8.233 2.295 ( -1.365 3.462 0.000) 3.722 2.457 ( 7.348 -6.656 -0.000) 9.914 2.535 ( 3.058 -1.324 -0.000) 3.333 2.598 ( 0.771 2.489 -0.000) 2.606 2.700 ( 4.584 2.400 -0.000) 5.175 2.896 ( -8.575 0.719 0.000) 8.605 2.920 ( -6.773 -0.184 0.000) 6.775 4.011 ( -37.322 -0.281 0.000) 37.323 4.012 ( -36.507 -0.516 0.000) 36.510 4.391 ( 5.905 -1.071 -0.000) 6.001 4.465 ( 5.133 0.217 -0.000) 5.137 4.927 ( -4.090 -0.939 0.000) 4.196 4.952 ( -3.565 -0.180 0.000) 3.569 4.952 ( -3.405 -0.368 0.000) 3.425 5.047 ( -2.321 0.723 0.000) 2.431 5.331 ( 25.512 -0.136 -0.000) 25.512 5.348 ( 24.708 0.154 -0.000) 24.709 6.748 ( -1.213 0.608 0.000) 1.357 6.751 ( 0.027 0.189 -0.000) 0.191 6.823 ( 0.485 -0.636 -0.000) 0.800 6.840 ( -1.443 0.154 0.000) 1.452 7.309 ( 0.744 -0.432 -0.000) 0.860 7.332 ( 0.034 -0.158 0.000) 0.162 8.218 ( -2.892 -0.041 0.000) 2.892 8.239 ( -2.895 0.223 0.000) 2.903 12.512 ( 0.844 -0.040 -0.000) 0.845 12.529 ( -0.046 0.376 -0.000) 0.379 12.985 ( -0.511 -2.013 0.000) 2.077 12.987 ( -0.660 -1.865 0.000) 1.978 13.105 ( 0.280 1.396 -0.000) 1.424 13.197 ( 1.031 4.484 -0.000) 4.601 13.274 ( -0.694 -3.210 0.000) 3.284 13.557 ( 0.147 -0.796 0.000) 0.809 ======================= Grid point 150 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 13.786 -1.786 8.137) 16.107 1.129 ( 13.888 0.610 1.127) 13.947 1.294 ( 10.805 1.510 -4.034) 11.632 1.325 ( 4.591 -0.844 -6.437) 7.952 1.515 ( 2.586 0.140 2.637) 3.696 1.624 ( -3.211 -0.792 -1.771) 3.751 1.667 ( 0.093 0.694 3.831) 3.895 1.736 ( 3.026 -0.330 6.135) 6.849 1.878 ( 1.172 3.021 -3.340) 4.654 1.940 ( -4.961 1.365 -0.496) 5.169 1.960 ( -3.179 -1.801 0.377) 3.673 1.985 ( -1.645 -2.094 1.118) 2.888 1.999 ( -6.612 -2.446 -0.965) 7.116 2.180 ( 1.950 -0.150 -5.044) 5.410 2.236 ( -6.612 -0.203 1.565) 6.798 2.306 ( -4.367 -0.536 -1.181) 4.556 2.520 ( 10.343 -0.149 -0.289) 10.348 2.537 ( 3.536 -1.663 -0.339) 3.922 2.680 ( 2.352 0.560 3.351) 4.132 2.766 ( -7.254 0.310 -0.116) 7.261 2.814 ( -9.064 0.141 0.863) 9.106 2.859 ( -10.259 0.183 -0.006) 10.260 3.280 ( 40.450 0.062 1.431) 40.475 3.369 ( 37.600 0.761 -1.768) 37.649 4.566 ( -7.829 0.415 0.136) 7.841 4.598 ( -7.531 0.316 -0.839) 7.584 4.842 ( 6.668 0.078 0.278) 6.674 4.855 ( 6.837 -0.139 -0.056) 6.839 4.912 ( 5.230 1.023 0.079) 5.329 4.928 ( 5.523 -1.015 0.628) 5.650 5.754 ( -19.986 0.013 0.145) 19.986 5.762 ( -20.172 0.057 -0.145) 20.172 6.710 ( 0.856 -0.136 0.109) 0.874 6.717 ( 1.293 -0.376 0.028) 1.347 6.806 ( 0.726 0.064 0.985) 1.225 6.859 ( 1.171 0.275 -0.948) 1.531 7.331 ( -1.867 0.063 0.835) 2.046 7.376 ( -2.142 0.265 -0.864) 2.324 8.133 ( 6.096 -0.178 0.306) 6.106 8.149 ( 5.408 -0.104 -0.246) 5.414 12.517 ( -1.082 -0.077 0.262) 1.116 12.525 ( 0.056 -0.002 -0.047) 0.074 12.971 ( 0.488 -0.411 1.586) 1.710 13.056 ( -0.372 0.527 0.913) 1.118 13.078 ( -0.588 -0.398 -2.098) 2.215 13.160 ( 0.316 -0.301 -3.490) 3.517 13.362 ( 0.376 2.749 4.575) 5.351 13.564 ( -0.741 -1.143 -2.769) 3.086 ======================= Grid point 151 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 7.467 0.000 16.218) 17.854 0.852 ( 17.310 0.000 4.773) 17.956 1.056 ( 12.288 -0.000 -5.931) 13.645 1.263 ( 1.013 -0.000 -9.574) 9.627 1.460 ( 4.898 0.000 1.610) 5.156 1.552 ( 17.530 0.000 0.700) 17.544 1.646 ( 5.360 0.000 -0.347) 5.372 1.675 ( 0.940 0.000 0.563) 1.096 1.804 ( 5.346 0.000 4.995) 7.316 1.927 ( 1.062 -0.000 -1.887) 2.165 1.965 ( 8.185 0.000 -0.916) 8.237 1.991 ( 3.484 -0.000 -5.955) 6.900 2.147 ( -8.400 0.000 2.536) 8.774 2.159 ( -5.525 -0.000 -1.424) 5.706 2.272 ( 10.876 0.000 2.519) 11.164 2.344 ( -2.830 0.000 0.984) 2.997 2.354 ( 5.776 0.000 -0.267) 5.782 2.360 ( 3.645 0.000 -0.155) 3.648 2.619 ( 24.524 0.000 1.146) 24.550 2.720 ( 21.875 -0.000 -4.712) 22.377 2.871 ( -12.393 0.000 3.150) 12.787 2.946 ( -8.992 -0.000 -0.891) 9.036 3.049 ( -10.404 0.000 2.608) 10.726 3.086 ( -11.901 -0.000 -0.047) 11.901 4.693 ( -2.686 -0.000 -0.028) 2.687 4.710 ( 4.925 0.000 0.411) 4.942 4.711 ( 7.414 0.000 -0.156) 7.415 4.718 ( -3.333 -0.000 -0.778) 3.422 4.795 ( 6.324 0.000 1.242) 6.445 4.831 ( 5.101 0.000 -0.533) 5.129 6.051 ( -12.599 -0.000 0.127) 12.600 6.060 ( -12.722 -0.000 -0.331) 12.726 6.696 ( 0.753 0.000 0.362) 0.836 6.700 ( 0.228 0.000 0.042) 0.232 6.795 ( 0.991 0.000 0.969) 1.386 6.828 ( 1.887 -0.000 -0.731) 2.023 7.388 ( -4.183 -0.000 0.779) 4.255 7.425 ( -3.676 -0.000 -1.195) 3.865 8.010 ( 7.371 0.000 0.462) 7.386 8.030 ( 7.341 0.000 -0.539) 7.360 12.526 ( -0.164 0.000 0.209) 0.266 12.538 ( -1.142 -0.000 -0.364) 1.198 12.962 ( 1.194 0.000 1.361) 1.811 13.038 ( 1.904 -0.000 -2.178) 2.893 13.096 ( -1.459 -0.000 -0.444) 1.525 13.129 ( 1.550 -0.000 -1.842) 2.407 13.384 ( 0.629 0.000 3.426) 3.483 13.534 ( 1.986 -0.000 -5.247) 5.610 ======================= Grid point 153 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -0.000 13.660 7.117) 15.403 0.548 ( -0.000 14.762 5.587) 15.784 0.638 ( -0.000 6.059 0.932) 6.130 0.771 ( 0.000 9.221 -9.996) 13.600 1.005 ( -0.000 9.042 21.821) 23.621 1.365 ( 0.000 2.165 -19.315) 19.436 1.477 ( -0.000 1.140 0.982) 1.505 1.483 ( -0.000 0.478 -0.348) 0.591 1.736 ( -0.000 -0.893 3.044) 3.173 1.789 ( 0.000 -0.971 -2.123) 2.334 1.904 ( 0.000 -3.091 1.533) 3.450 1.927 ( 0.000 -6.060 -0.794) 6.112 2.073 ( -0.000 2.094 -1.491) 2.571 2.082 ( 0.000 1.331 -1.641) 2.113 2.184 ( -0.000 -1.187 2.860) 3.097 2.241 ( 0.000 -1.722 -3.278) 3.703 2.364 ( 0.000 -3.581 2.568) 4.407 2.381 ( 0.000 -4.628 0.385) 4.644 2.563 ( -0.000 3.023 3.845) 4.891 2.627 ( 0.000 3.395 -3.864) 5.144 3.213 ( 0.000 -1.007 0.459) 1.107 3.214 ( 0.000 -2.033 0.504) 2.094 3.304 ( -0.000 0.565 1.352) 1.466 3.334 ( 0.000 1.470 -2.353) 2.774 4.494 ( 0.000 -1.534 0.154) 1.542 4.498 ( 0.000 -1.603 -0.255) 1.623 4.584 ( -0.000 0.509 3.646) 3.681 4.649 ( 0.000 0.135 -3.811) 3.813 4.828 ( 0.000 -0.865 0.844) 1.208 4.843 ( 0.000 -1.060 -0.898) 1.389 6.257 ( -0.000 0.477 0.675) 0.827 6.269 ( 0.000 0.387 -0.735) 0.831 6.701 ( 0.000 -1.394 0.564) 1.503 6.707 ( 0.000 -0.925 -0.206) 0.947 6.769 ( -0.000 0.643 0.230) 0.682 6.775 ( -0.000 0.973 -0.510) 1.099 7.560 ( -0.000 1.124 0.480) 1.222 7.569 ( -0.000 1.099 -0.530) 1.220 7.795 ( 0.000 -0.321 0.001) 0.321 7.796 ( 0.000 -0.320 -0.020) 0.320 12.538 ( -0.000 -0.008 0.663) 0.663 12.552 ( 0.000 -0.119 -0.996) 1.003 12.866 ( -0.000 0.775 1.515) 1.702 12.901 ( 0.000 1.237 -2.585) 2.865 13.106 ( -0.000 2.000 1.519) 2.512 13.132 ( -0.000 1.935 -1.522) 2.462 13.362 ( 0.000 -0.154 -0.101) 0.184 13.363 ( 0.000 -0.831 -0.215) 0.859 ======================= Grid point 154 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -10.211 8.190 7.603) 15.138 0.811 ( -8.815 6.965 -5.838) 12.661 0.953 ( -10.505 5.696 9.630) 15.347 1.045 ( -18.354 7.025 -6.952) 20.846 1.263 ( -15.903 10.078 5.039) 19.491 1.362 ( -8.558 7.024 -5.739) 12.470 1.541 ( -7.982 2.015 -1.324) 8.338 1.553 ( -5.114 0.452 -0.429) 5.152 1.761 ( -2.710 -2.249 2.679) 4.425 1.804 ( -3.228 -1.040 -0.565) 3.438 1.812 ( 0.850 -3.848 -1.453) 4.200 1.968 ( -3.001 -0.891 -0.458) 3.164 2.113 ( -2.393 -0.171 -0.601) 2.473 2.171 ( -6.833 -0.369 1.680) 7.046 2.185 ( -6.800 -2.449 -1.415) 7.365 2.270 ( -6.218 -1.323 -0.161) 6.359 2.340 ( 0.164 2.856 0.245) 2.871 2.373 ( 0.590 -6.228 0.415) 6.270 2.495 ( 7.112 4.669 0.213) 8.511 2.555 ( 6.809 -0.927 0.077) 6.872 3.064 ( 9.755 -1.647 0.023) 9.893 3.151 ( 9.792 0.706 0.162) 9.819 3.246 ( 5.933 -0.335 0.754) 5.990 3.259 ( 8.831 -0.771 -0.633) 8.887 4.553 ( -6.846 -1.496 0.233) 7.011 4.556 ( -7.279 -1.182 -0.269) 7.379 4.651 ( -5.213 -0.775 1.297) 5.428 4.696 ( -4.769 0.449 -1.359) 4.979 4.798 ( 2.716 -0.782 0.397) 2.855 4.804 ( 2.362 -0.905 -0.462) 2.571 6.212 ( 5.617 0.130 0.099) 5.619 6.224 ( 5.581 0.269 -0.145) 5.589 6.683 ( 0.046 -0.722 0.119) 0.733 6.712 ( -0.372 -0.185 0.030) 0.416 6.775 ( -0.879 0.045 0.018) 0.880 6.799 ( -1.207 0.551 -0.043) 1.328 7.481 ( 6.108 0.017 -0.033) 6.109 7.505 ( 5.972 0.470 -0.039) 5.990 7.885 ( -7.607 0.274 0.240) 7.616 7.889 ( -7.742 0.284 -0.227) 7.751 12.535 ( 0.415 -0.169 0.338) 0.561 12.545 ( 0.325 0.122 -0.417) 0.542 12.916 ( -3.705 -0.329 -0.026) 3.720 12.942 ( -3.203 -0.328 -0.782) 3.313 13.123 ( 0.604 0.832 0.057) 1.030 13.141 ( 0.038 3.131 -0.247) 3.141 13.304 ( 0.832 -2.367 0.347) 2.533 13.470 ( -6.006 0.916 -0.766) 6.123 ======================= Grid point 155 (67/171) ======================= q-point: (-0.30 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -8.976 3.844 0.000) 9.765 0.992 ( -9.012 3.094 0.000) 9.529 1.108 ( -2.507 4.335 0.000) 5.008 1.150 ( -1.149 5.539 -0.000) 5.657 1.494 ( -2.594 -0.595 0.000) 2.662 1.617 ( -4.201 3.250 0.000) 5.312 1.640 ( -8.857 1.353 0.000) 8.960 1.716 ( 1.764 -3.942 -0.000) 4.319 1.750 ( -5.759 1.292 0.000) 5.902 1.904 ( -4.123 -1.229 0.000) 4.303 1.967 ( -1.478 -1.186 0.000) 1.895 2.012 ( -14.679 5.161 0.000) 15.559 2.158 ( 2.171 3.659 -0.000) 4.255 2.228 ( 9.253 -1.385 -0.000) 9.356 2.337 ( -4.435 -0.361 0.000) 4.450 2.347 ( -8.559 1.747 0.000) 8.736 2.361 ( -6.717 3.053 0.000) 7.378 2.402 ( 5.082 -0.193 -0.000) 5.086 2.598 ( -31.360 -2.595 0.000) 31.467 2.644 ( -24.804 0.221 0.000) 24.805 2.864 ( 10.814 -0.885 -0.000) 10.850 2.929 ( 13.445 -1.249 -0.000) 13.503 3.022 ( 14.002 -2.917 -0.000) 14.302 3.106 ( 9.078 0.745 -0.000) 9.109 4.661 ( 3.446 -0.974 -0.000) 3.581 4.680 ( -4.116 -1.175 0.000) 4.280 4.714 ( 0.401 -0.304 -0.000) 0.503 4.720 ( -6.719 -0.638 0.000) 6.749 4.765 ( -6.066 -1.642 0.000) 6.285 4.856 ( -6.355 1.002 0.000) 6.433 6.049 ( 12.573 -0.123 -0.000) 12.574 6.057 ( 12.992 -0.132 -0.000) 12.992 6.691 ( -1.155 -0.040 0.000) 1.156 6.722 ( -0.623 0.693 0.000) 0.932 6.795 ( -1.371 -0.574 0.000) 1.486 6.820 ( -0.812 0.163 0.000) 0.829 7.390 ( 3.559 -0.476 -0.000) 3.591 7.404 ( 4.648 -0.396 -0.000) 4.665 8.029 ( -7.022 0.483 0.000) 7.038 8.031 ( -7.582 0.549 0.000) 7.602 12.528 ( 0.278 -0.068 -0.000) 0.286 12.538 ( 0.610 0.277 -0.000) 0.669 12.973 ( -2.629 -1.116 0.000) 2.856 12.977 ( -1.731 -1.578 0.000) 2.342 13.107 ( 0.860 -0.255 -0.000) 0.897 13.164 ( 0.510 4.132 -0.000) 4.164 13.291 ( -0.882 -2.738 0.000) 2.877 13.550 ( -2.429 -0.068 0.000) 2.430 ======================= Grid point 161 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 12.019 -0.725 2.811) 12.364 1.296 ( 7.163 1.909 -2.594) 7.854 1.409 ( 4.186 2.374 0.709) 4.864 1.453 ( 4.871 1.007 -1.486) 5.191 1.534 ( 0.826 1.057 -1.092) 1.730 1.595 ( 1.143 -2.650 0.315) 2.903 1.682 ( 0.048 0.455 4.500) 4.523 1.741 ( -5.548 -0.203 0.621) 5.587 1.819 ( 1.969 -0.102 2.543) 3.217 1.859 ( -2.606 -1.038 2.106) 3.508 1.877 ( -6.554 -1.141 -1.248) 6.769 1.947 ( 0.111 -0.508 -3.392) 3.431 2.007 ( -2.090 -0.492 -0.475) 2.199 2.089 ( -9.263 -1.373 -1.468) 9.479 2.143 ( -3.264 -0.221 1.797) 3.733 2.255 ( 0.124 -0.762 -3.896) 3.971 2.455 ( -5.168 -1.693 4.205) 6.874 2.593 ( -3.281 -0.365 -3.156) 4.567 2.644 ( -5.894 3.751 0.154) 6.988 2.687 ( -4.061 1.203 -0.356) 4.250 2.849 ( 10.123 -1.135 1.749) 10.336 2.889 ( 8.804 -1.698 0.383) 8.974 4.004 ( 37.200 0.100 1.040) 37.214 4.045 ( 35.934 0.646 -0.975) 35.953 4.427 ( -6.399 0.736 0.177) 6.443 4.465 ( -5.938 0.164 -0.731) 5.986 4.937 ( 3.539 -0.039 0.226) 3.547 4.950 ( 3.456 -0.206 -0.133) 3.465 4.977 ( 2.700 0.719 0.557) 2.849 5.019 ( 3.355 -0.535 0.006) 3.398 5.336 ( -25.521 0.071 0.020) 25.521 5.343 ( -25.395 -0.138 -0.006) 25.396 6.730 ( 0.986 -0.388 0.262) 1.091 6.743 ( 1.221 -0.393 -0.298) 1.317 6.819 ( 0.193 0.141 1.161) 1.185 6.863 ( 0.154 0.482 -1.126) 1.234 7.313 ( -0.634 0.128 0.760) 0.998 7.344 ( -0.936 0.194 -0.682) 1.175 8.221 ( 3.225 0.107 -0.002) 3.227 8.228 ( 3.203 -0.325 0.180) 3.224 12.507 ( -0.336 -0.112 0.660) 0.749 12.526 ( 0.140 0.026 -0.269) 0.305 12.986 ( 0.020 -0.334 1.510) 1.546 13.044 ( -1.370 -1.139 1.973) 2.658 13.070 ( 0.621 1.071 -2.109) 2.446 13.146 ( -0.256 -0.611 -3.504) 3.566 13.363 ( 0.182 3.513 3.905) 5.256 13.548 ( -0.989 -1.513 -1.516) 2.360 ======================= Grid point 162 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 10.809 -1.448 9.185) 14.258 1.136 ( 11.236 0.437 0.376) 11.250 1.261 ( 11.102 0.944 -3.761) 11.760 1.270 ( 8.227 -0.391 -6.104) 10.252 1.536 ( 1.739 0.680 2.205) 2.889 1.608 ( -1.795 -1.389 -2.042) 3.053 1.705 ( 1.657 1.112 4.980) 5.365 1.786 ( 3.314 -0.323 5.213) 6.186 1.845 ( 1.471 3.229 -4.011) 5.355 1.931 ( -3.547 -1.638 -1.852) 4.324 1.955 ( -9.313 0.180 -0.812) 9.350 1.994 ( -9.341 -3.072 -0.117) 9.834 2.005 ( 3.379 -0.530 3.388) 4.814 2.134 ( 3.223 -0.821 -5.619) 6.529 2.251 ( -6.821 0.045 1.702) 7.031 2.295 ( -5.922 -0.512 -1.338) 6.093 2.518 ( 8.616 0.206 -0.242) 8.621 2.535 ( 7.574 -1.844 -0.099) 7.796 2.707 ( -0.785 0.754 3.034) 3.223 2.761 ( -6.149 0.668 -1.038) 6.271 2.823 ( -9.594 0.348 1.219) 9.677 2.858 ( -9.230 -0.523 -0.238) 9.248 3.295 ( 39.930 0.239 1.908) 39.976 3.353 ( 37.972 0.572 -2.171) 38.039 4.568 ( -7.728 0.624 0.313) 7.759 4.591 ( -7.523 0.075 -0.867) 7.573 4.845 ( 6.689 0.191 0.282) 6.698 4.854 ( 6.734 -0.240 -0.111) 6.740 4.913 ( 5.388 1.346 0.093) 5.554 4.933 ( 5.352 -1.275 0.469) 5.522 5.755 ( -19.996 0.043 0.180) 19.997 5.761 ( -20.114 0.044 -0.180) 20.115 6.711 ( 0.971 -0.004 0.112) 0.978 6.717 ( 1.097 -0.476 -0.009) 1.195 6.816 ( 0.787 0.103 1.242) 1.474 6.850 ( 1.057 0.221 -1.204) 1.617 7.339 ( -1.870 0.104 1.051) 2.147 7.368 ( -2.035 0.229 -1.074) 2.312 8.136 ( 5.991 -0.119 0.362) 6.003 8.146 ( 5.583 -0.159 -0.313) 5.594 12.519 ( -0.804 -0.063 0.286) 0.856 12.525 ( -0.084 -0.017 -0.111) 0.140 12.986 ( 0.604 -0.146 2.104) 2.194 13.053 ( 0.985 0.520 -2.297) 2.553 13.071 ( -1.461 -0.498 1.245) 1.984 13.132 ( -0.071 -0.409 -3.122) 3.150 13.400 ( 0.708 3.630 4.122) 5.538 13.538 ( -0.220 -2.133 -3.072) 3.746 ======================= Grid point 163 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 15.707 0.000 5.525) 16.650 0.899 ( 4.527 0.000 15.362) 16.015 1.008 ( 13.278 -0.000 -4.982) 14.182 1.167 ( 1.056 -0.000 -13.036) 13.079 1.481 ( 7.249 0.000 3.175) 7.914 1.541 ( 11.998 -0.000 -2.972) 12.361 1.655 ( 9.194 0.000 1.998) 9.409 1.677 ( 4.249 0.000 -0.128) 4.251 1.849 ( 2.282 0.000 5.480) 5.937 1.918 ( 4.162 0.000 -0.064) 4.163 1.940 ( 0.133 -0.000 -5.519) 5.521 1.950 ( 10.688 -0.000 -2.752) 11.037 2.155 ( -7.074 -0.000 0.291) 7.080 2.160 ( -8.692 -0.000 0.588) 8.712 2.295 ( 9.591 0.000 2.879) 10.014 2.340 ( 9.093 -0.000 -2.217) 9.359 2.353 ( -1.685 0.000 1.040) 1.980 2.363 ( -0.804 -0.000 0.116) 0.812 2.632 ( 24.077 0.000 2.033) 24.163 2.683 ( 22.738 0.000 -3.965) 23.081 2.897 ( -11.251 0.000 2.876) 11.613 2.936 ( -9.650 -0.000 -1.634) 9.787 3.068 ( -10.747 -0.000 1.774) 10.893 3.085 ( -11.554 -0.000 -0.369) 11.560 4.694 ( -2.212 -0.000 0.314) 2.234 4.705 ( 0.428 -0.000 -0.873) 0.972 4.713 ( 4.747 0.000 0.323) 4.758 4.716 ( 3.102 0.000 -0.034) 3.102 4.806 ( 6.195 0.000 1.275) 6.325 4.825 ( 5.559 0.000 -0.922) 5.635 6.052 ( -12.558 -0.000 0.228) 12.560 6.057 ( -12.637 -0.000 -0.349) 12.642 6.698 ( 0.550 0.000 0.232) 0.597 6.700 ( 0.301 0.000 -0.007) 0.301 6.803 ( 1.150 0.000 1.072) 1.573 6.821 ( 1.635 -0.000 -0.918) 1.875 7.396 ( -3.978 0.000 0.988) 4.098 7.415 ( -3.680 -0.000 -1.233) 3.881 8.014 ( 7.382 0.000 0.566) 7.403 8.025 ( 7.366 0.000 -0.613) 7.391 12.529 ( -0.320 0.000 0.285) 0.429 12.534 ( -0.835 -0.000 -0.380) 0.918 12.976 ( 1.710 0.000 1.952) 2.595 13.017 ( 2.258 -0.000 -2.703) 3.522 13.096 ( -1.010 0.000 0.474) 1.116 13.115 ( 0.579 -0.000 -1.588) 1.690 13.415 ( 1.615 0.000 3.952) 4.269 13.490 ( 2.491 -0.000 -4.950) 5.542 ======================= Grid point 165 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -0.000 13.262 -4.435) 13.984 0.543 ( -0.000 13.262 4.435) 13.984 0.688 ( -0.000 8.575 -9.068) 12.481 0.688 ( -0.000 8.575 9.068) 12.481 1.190 ( 0.000 5.348 -21.606) 22.258 1.190 ( -0.000 5.348 21.606) 22.258 1.481 ( -0.000 0.760 -0.117) 0.769 1.481 ( 0.000 0.760 0.117) 0.769 1.765 ( 0.000 -1.303 -3.470) 3.707 1.765 ( -0.000 -1.303 3.470) 3.707 1.917 ( 0.000 -4.442 -1.120) 4.581 1.917 ( 0.000 -4.442 1.120) 4.581 2.071 ( -0.000 1.751 -0.668) 1.874 2.071 ( -0.000 1.751 0.668) 1.874 2.212 ( 0.000 -1.256 -3.407) 3.632 2.212 ( -0.000 -1.256 3.407) 3.632 2.378 ( 0.000 -4.079 -0.642) 4.129 2.378 ( 0.000 -4.079 0.642) 4.129 2.595 ( -0.000 2.998 -3.600) 4.685 2.595 ( -0.000 2.998 3.600) 4.685 3.215 ( -0.000 -1.436 -0.013) 1.436 3.215 ( 0.000 -1.436 0.013) 1.436 3.317 ( -0.000 0.890 -1.653) 1.877 3.317 ( -0.000 0.890 1.653) 1.877 4.496 ( 0.000 -1.576 -0.201) 1.589 4.496 ( 0.000 -1.576 0.201) 1.589 4.616 ( 0.000 0.350 -3.901) 3.917 4.616 ( -0.000 0.350 3.901) 3.917 4.835 ( 0.000 -0.979 -0.923) 1.346 4.835 ( 0.000 -0.979 0.923) 1.346 6.263 ( 0.000 0.449 -0.735) 0.861 6.263 ( -0.000 0.449 0.735) 0.861 6.704 ( 0.000 -1.124 -0.232) 1.147 6.704 ( 0.000 -1.124 0.232) 1.147 6.771 ( -0.000 0.778 -0.252) 0.818 6.771 ( 0.000 0.778 0.252) 0.818 7.564 ( -0.000 1.139 -0.474) 1.233 7.564 ( -0.000 1.139 0.474) 1.233 7.795 ( 0.000 -0.319 -0.011) 0.320 7.795 ( 0.000 -0.319 0.011) 0.320 12.544 ( 0.000 -0.040 -0.869) 0.870 12.544 ( -0.000 -0.040 0.869) 0.870 12.881 ( 0.000 0.940 -1.964) 2.177 12.881 ( -0.000 0.940 1.964) 2.177 13.119 ( -0.000 1.944 -1.583) 2.507 13.119 ( -0.000 1.944 1.583) 2.507 13.362 ( -0.000 -0.515 -0.006) 0.515 13.362 ( 0.000 -0.515 0.006) 0.515 ======================= Grid point 172 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -2.792 -0.558 0.259) 2.859 1.346 ( -2.451 -0.233 -2.397) 3.436 1.377 ( -2.295 1.538 2.262) 3.571 1.448 ( -0.589 -0.396 3.849) 3.914 1.571 ( -1.208 -1.406 -4.100) 4.500 1.640 ( 2.014 -2.196 -3.156) 4.340 1.683 ( -1.588 0.916 2.297) 2.939 1.736 ( 0.801 1.184 0.802) 1.639 1.812 ( 2.084 1.963 1.548) 3.254 1.860 ( 0.859 0.712 -0.888) 1.426 1.887 ( -0.976 0.023 -2.209) 2.415 1.905 ( 1.706 -1.100 0.769) 2.171 1.955 ( 4.302 0.376 2.217) 4.854 2.049 ( 1.827 -1.290 -0.947) 2.429 2.114 ( -0.070 1.459 1.816) 2.331 2.263 ( 1.073 -1.354 -1.941) 2.599 2.438 ( 0.075 -2.639 4.512) 5.228 2.526 ( -2.491 4.778 -0.700) 5.434 2.572 ( 0.973 -1.258 -3.252) 3.620 2.629 ( -1.668 -0.008 -0.215) 1.682 2.972 ( 0.884 0.099 0.288) 0.935 2.999 ( 1.230 -0.441 0.435) 1.377 4.346 ( -0.693 0.582 0.654) 1.117 4.393 ( -0.681 -0.293 -0.209) 0.771 4.482 ( -0.832 0.214 -0.134) 0.869 4.500 ( -0.195 -0.247 -0.384) 0.497 4.957 ( -0.351 0.224 -0.089) 0.426 4.964 ( -0.433 0.330 0.041) 0.546 4.978 ( 0.194 -0.384 0.002) 0.430 4.996 ( -0.433 -0.159 0.714) 0.850 5.012 ( 0.981 0.164 0.096) 0.999 5.055 ( 0.591 -0.178 -0.417) 0.745 6.749 ( 0.615 -0.172 0.364) 0.735 6.760 ( 0.562 -0.014 -0.356) 0.665 6.820 ( -0.459 0.183 0.730) 0.881 6.852 ( -0.458 0.034 -0.749) 0.878 7.307 ( -0.211 0.218 0.323) 0.443 7.332 ( -0.222 -0.215 -0.267) 0.408 8.251 ( 0.156 0.141 0.207) 0.295 8.262 ( 0.148 -0.058 -0.037) 0.163 12.508 ( 0.207 0.257 0.450) 0.558 12.528 ( 0.196 0.051 -0.191) 0.278 12.987 ( -0.539 -0.307 0.956) 1.140 13.049 ( -0.801 -2.226 2.848) 3.702 13.060 ( 0.518 1.740 -1.956) 2.668 13.137 ( 0.254 -1.005 -3.133) 3.300 13.349 ( -0.236 3.639 2.425) 4.380 13.542 ( -0.371 -1.665 -0.637) 1.821 ======================= Grid point 173 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 9.520 0.079 2.712) 9.899 1.273 ( 7.149 0.924 -2.699) 7.698 1.415 ( 6.445 2.681 0.452) 6.995 1.447 ( 8.715 1.045 -0.210) 8.780 1.526 ( -0.995 1.317 -0.684) 1.787 1.595 ( -0.791 -3.166 -0.149) 3.267 1.715 ( -1.452 0.590 3.126) 3.497 1.742 ( -7.088 -0.092 -0.085) 7.089 1.841 ( 2.943 0.090 2.558) 3.901 1.863 ( -4.682 -0.658 -0.773) 4.791 1.882 ( -1.921 -1.018 1.647) 2.728 1.916 ( 1.390 -1.139 -3.648) 4.066 2.008 ( -5.476 0.286 0.672) 5.524 2.074 ( -8.073 -1.836 -1.773) 8.467 2.160 ( -2.954 -0.061 2.247) 3.712 2.224 ( 0.480 -1.129 -3.435) 3.648 2.492 ( -4.503 -1.493 4.383) 6.459 2.563 ( -3.430 -0.807 -3.874) 5.236 2.645 ( -6.503 4.174 0.190) 7.730 2.685 ( -3.705 0.957 -0.239) 3.834 2.861 ( 9.809 -0.873 1.078) 9.907 2.891 ( 8.433 -1.763 0.178) 8.617 4.014 ( 37.041 0.232 1.229) 37.062 4.036 ( 36.368 0.504 -1.193) 36.391 4.428 ( -6.372 1.099 0.217) 6.470 4.460 ( -6.076 -0.242 -0.552) 6.106 4.939 ( 3.559 0.075 0.175) 3.564 4.949 ( 3.424 -0.302 -0.116) 3.439 4.981 ( 3.087 1.171 0.346) 3.319 5.019 ( 2.956 -0.916 -0.003) 3.095 5.336 ( -25.587 0.160 0.013) 25.588 5.343 ( -25.333 -0.187 -0.004) 25.333 6.732 ( 1.102 -0.304 0.272) 1.175 6.740 ( 1.082 -0.430 -0.294) 1.201 6.829 ( 0.168 0.205 1.343) 1.369 6.853 ( 0.179 0.371 -1.322) 1.384 7.319 ( -0.765 0.279 0.774) 1.123 7.338 ( -0.788 0.064 -0.726) 1.073 8.221 ( 3.244 0.170 0.007) 3.248 8.229 ( 3.233 -0.340 0.103) 3.252 12.512 ( -0.246 0.017 0.620) 0.667 12.523 ( 0.096 -0.039 -0.378) 0.392 13.000 ( -0.162 0.156 1.560) 1.576 13.049 ( 0.164 -0.212 -1.649) 1.671 13.066 ( -0.536 -0.215 2.199) 2.274 13.117 ( -0.279 -0.784 -3.198) 3.305 13.391 ( 0.184 4.509 2.471) 5.145 13.536 ( -0.817 -2.343 -1.224) 2.766 ======================= Grid point 174 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 7.890 -1.052 8.452) 11.610 1.124 ( 7.341 -0.316 -4.217) 8.472 1.230 ( 12.042 0.455 -2.108) 12.234 1.236 ( 13.149 0.517 -2.147) 13.333 1.551 ( 0.522 1.616 1.296) 2.136 1.592 ( -0.180 -2.383 -1.305) 2.723 1.749 ( 3.220 1.404 5.398) 6.440 1.793 ( 4.624 1.085 -4.302) 6.409 1.837 ( -0.679 2.631 2.296) 3.557 1.912 ( -3.299 -4.159 -1.979) 5.665 1.951 ( -9.990 1.938 -0.188) 10.178 1.994 ( -10.052 -3.201 0.004) 10.550 2.038 ( 3.588 0.170 3.872) 5.282 2.089 ( 3.738 -1.742 -4.665) 6.227 2.264 ( -6.714 0.439 1.269) 6.847 2.284 ( -6.833 -0.808 -1.136) 6.973 2.517 ( 8.209 0.374 -0.088) 8.218 2.534 ( 8.957 -1.930 -0.017) 9.162 2.731 ( -2.783 0.899 2.429) 3.802 2.749 ( -5.078 0.794 -1.767) 5.435 2.832 ( -10.479 1.070 0.672) 10.555 2.855 ( -7.967 -1.472 -0.255) 8.106 3.312 ( 39.419 0.577 2.042) 39.476 3.334 ( 38.376 0.226 -2.140) 38.437 4.571 ( -7.648 1.005 0.283) 7.719 4.585 ( -7.539 -0.323 -0.491) 7.562 4.847 ( 6.728 0.352 0.144) 6.738 4.853 ( 6.649 -0.396 -0.080) 6.662 4.914 ( 5.436 1.518 0.040) 5.644 4.935 ( 5.299 -1.406 0.172) 5.485 5.757 ( -20.027 0.094 0.165) 20.028 5.759 ( -20.054 0.002 -0.165) 20.055 6.711 ( 1.071 0.106 0.051) 1.078 6.717 ( 0.949 -0.566 -0.014) 1.105 6.827 ( 0.882 0.181 1.331) 1.607 6.839 ( 0.929 0.135 -1.315) 1.615 7.348 ( -1.908 0.155 1.161) 2.239 7.358 ( -1.934 0.182 -1.170) 2.268 8.139 ( 5.828 0.006 0.290) 5.835 8.144 ( 5.790 -0.280 -0.271) 5.803 12.521 ( -0.509 -0.043 0.252) 0.569 12.523 ( -0.294 -0.037 -0.185) 0.349 13.006 ( 0.632 0.277 2.269) 2.371 13.031 ( 0.835 -0.008 -2.468) 2.605 13.086 ( -0.829 -0.368 2.112) 2.298 13.107 ( -0.403 -0.413 -2.641) 2.703 13.428 ( 0.893 5.343 2.163) 5.833 13.516 ( 0.065 -3.902 -1.821) 4.306 ======================= Grid point 175 (75/171) ======================= q-point: ( 0.50 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 13.275 -0.015 -0.000) 13.275 0.943 ( 13.275 0.015 -0.000) 13.275 1.048 ( 3.505 -0.035 0.000) 3.505 1.048 ( 3.505 0.035 0.000) 3.505 1.511 ( 8.953 -0.287 -0.000) 8.958 1.511 ( 8.953 0.287 -0.000) 8.958 1.671 ( 8.064 -1.157 -0.000) 8.147 1.671 ( 8.064 1.157 -0.000) 8.147 1.895 ( -0.182 -3.406 0.000) 3.411 1.895 ( -0.182 3.406 0.000) 3.411 1.927 ( 8.539 -0.083 -0.000) 8.540 1.927 ( 8.539 0.083 -0.000) 8.540 2.159 ( -8.108 -4.407 0.000) 9.229 2.159 ( -8.108 4.407 0.000) 9.229 2.319 ( 8.930 -0.003 -0.000) 8.930 2.319 ( 8.930 0.003 -0.000) 8.930 2.361 ( -1.090 -1.640 0.000) 1.969 2.361 ( -1.090 1.640 0.000) 1.969 2.654 ( 23.500 -0.002 -0.000) 23.500 2.654 ( 23.500 0.002 -0.000) 23.500 2.919 ( -10.365 -0.978 0.000) 10.411 2.919 ( -10.365 0.978 0.000) 10.411 3.079 ( -11.162 -0.666 0.000) 11.182 3.079 ( -11.162 0.666 0.000) 11.182 4.698 ( -1.483 -0.958 0.000) 1.766 4.698 ( -1.483 0.958 0.000) 1.766 4.715 ( 4.450 -0.912 -0.000) 4.542 4.715 ( 4.450 0.912 -0.000) 4.542 4.816 ( 5.959 -1.104 -0.000) 6.061 4.816 ( 5.959 1.104 -0.000) 6.061 6.055 ( -12.575 -0.090 0.000) 12.576 6.055 ( -12.575 0.090 0.000) 12.576 6.700 ( 0.405 -0.591 -0.000) 0.716 6.700 ( 0.405 0.591 -0.000) 0.716 6.812 ( 1.376 -0.119 -0.000) 1.381 6.812 ( 1.376 0.119 -0.000) 1.381 7.405 ( -3.793 -0.081 0.000) 3.794 7.405 ( -3.793 0.081 0.000) 3.794 8.019 ( 7.380 -0.002 -0.000) 7.380 8.019 ( 7.380 0.002 -0.000) 7.380 12.531 ( -0.549 -0.049 0.000) 0.551 12.531 ( -0.549 0.049 0.000) 0.551 12.995 ( 2.122 -0.110 -0.000) 2.125 12.995 ( 2.122 0.110 -0.000) 2.125 13.103 ( -0.280 -0.018 0.000) 0.280 13.103 ( -0.280 0.018 0.000) 0.280 13.451 ( 2.294 -4.252 0.000) 4.832 13.451 ( 2.294 4.252 0.000) 4.832 ======================= Grid point 183 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -7.293 -2.884 1.584) 8.001 1.225 ( -9.291 0.494 -0.498) 9.318 1.307 ( -5.181 -1.497 -1.710) 5.658 1.438 ( -4.822 -2.817 1.151) 5.702 1.547 ( 1.992 0.971 0.489) 2.269 1.647 ( -0.651 1.288 2.652) 3.019 1.656 ( -0.653 0.589 -0.884) 1.247 1.732 ( -1.471 1.143 -4.176) 4.573 1.788 ( -0.247 0.286 -1.688) 1.729 1.828 ( 1.414 -0.128 -0.839) 1.650 1.974 ( 4.727 1.409 1.843) 5.265 2.002 ( 3.925 1.851 0.241) 4.346 2.058 ( 5.167 0.261 1.952) 5.529 2.125 ( 7.413 1.068 -0.682) 7.520 2.187 ( 7.306 2.859 1.117) 7.925 2.300 ( 2.332 -1.849 0.150) 2.980 2.486 ( 3.713 3.033 -0.663) 4.840 2.525 ( 3.819 -2.567 1.313) 4.785 2.604 ( 3.026 -2.067 1.652) 4.020 2.657 ( 5.572 -0.382 -2.993) 6.336 2.873 ( -10.230 1.927 -0.329) 10.415 2.934 ( -7.617 0.934 0.268) 7.679 3.996 ( -37.272 0.212 -0.184) 37.273 4.025 ( -36.362 -0.987 0.128) 36.376 4.413 ( 5.700 -0.398 0.853) 5.777 4.448 ( 5.289 -0.789 -0.705) 5.394 4.933 ( -3.889 -0.271 0.145) 3.901 4.949 ( -3.719 -0.396 -0.047) 3.740 4.976 ( -2.558 0.415 0.972) 2.768 5.017 ( -3.139 0.009 -1.122) 3.333 5.340 ( 25.120 0.107 0.328) 25.122 5.346 ( 24.973 0.128 -0.189) 24.974 6.749 ( -0.435 0.796 0.104) 0.913 6.761 ( -0.507 0.363 0.167) 0.646 6.805 ( -0.735 0.248 -0.369) 0.859 6.848 ( -0.467 -1.094 0.099) 1.193 7.305 ( 0.316 0.177 -0.066) 0.368 7.337 ( 0.501 -0.659 0.093) 0.834 8.227 ( -2.814 0.196 0.382) 2.847 8.233 ( -2.988 0.277 -0.301) 3.016 12.513 ( 0.541 0.613 0.004) 0.818 12.530 ( 0.019 0.120 0.019) 0.123 12.987 ( -0.397 -1.071 0.857) 1.428 13.035 ( -0.514 1.692 -1.231) 2.155 13.080 ( 0.241 -2.742 2.679) 3.841 13.142 ( 0.952 -0.706 -2.960) 3.189 13.321 ( -0.847 3.426 1.075) 3.689 13.555 ( 0.495 -1.829 -0.079) 1.896 ======================= Grid point 184 (77/171) ======================= q-point: ( 0.30 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -2.368 -0.261 0.970) 2.572 1.325 ( -0.424 -0.147 -2.037) 2.086 1.393 ( -4.173 1.775 1.157) 4.680 1.485 ( -0.755 0.157 4.608) 4.672 1.533 ( -2.781 -1.787 -4.581) 5.649 1.620 ( 1.803 -3.585 -1.309) 4.221 1.699 ( 2.740 1.967 1.186) 3.575 1.740 ( -1.441 1.670 0.169) 2.213 1.823 ( -0.103 1.030 0.874) 1.355 1.846 ( -3.732 0.405 -1.511) 4.047 1.880 ( 3.936 0.231 -0.110) 3.944 1.908 ( 0.678 -0.712 0.045) 0.985 1.973 ( 5.989 0.361 1.512) 6.187 2.040 ( 2.082 -1.641 -0.896) 2.798 2.127 ( 0.234 2.564 0.888) 2.724 2.251 ( 1.258 -2.190 -0.885) 2.676 2.473 ( 0.185 -1.600 3.069) 3.466 2.521 ( -2.270 4.827 -0.478) 5.356 2.545 ( 0.719 -2.104 -2.406) 3.276 2.627 ( -2.065 -0.251 -0.068) 2.081 2.974 ( 0.646 0.256 0.108) 0.703 3.002 ( 1.347 -0.357 0.171) 1.404 4.350 ( -0.892 0.918 0.275) 1.309 4.391 ( -0.454 -0.462 -0.108) 0.657 4.482 ( -1.770 0.115 -0.010) 1.774 4.497 ( 0.829 -0.341 -0.185) 0.915 4.956 ( -0.436 0.198 -0.029) 0.480 4.964 ( -0.439 0.410 0.013) 0.601 4.978 ( 0.158 -0.365 -0.014) 0.398 5.001 ( -0.789 -0.641 0.396) 1.091 5.012 ( 1.482 0.970 -0.058) 1.772 5.052 ( 0.508 -0.454 -0.176) 0.704 6.753 ( 0.554 -0.046 0.397) 0.683 6.757 ( 0.708 -0.124 -0.397) 0.821 6.825 ( -0.853 0.571 0.431) 1.113 6.847 ( -0.145 -0.373 -0.434) 0.591 7.309 ( -0.333 0.389 0.144) 0.532 7.330 ( -0.100 -0.366 -0.122) 0.399 8.252 ( 0.293 0.238 0.087) 0.387 8.261 ( 0.027 -0.095 -0.022) 0.101 12.511 ( 0.117 0.484 0.205) 0.538 12.527 ( 0.264 -0.086 -0.106) 0.297 12.994 ( -0.640 -0.231 0.573) 0.890 13.047 ( 0.566 2.255 -0.940) 2.508 13.073 ( -0.991 -3.379 2.397) 4.260 13.112 ( 0.541 -0.541 -2.466) 2.582 13.364 ( -0.270 4.308 0.906) 4.411 13.538 ( -0.299 -2.058 -0.279) 2.098 ======================= Grid point 185 (78/171) ======================= q-point: ( 0.40 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 7.600 1.148 -0.000) 7.687 1.256 ( 8.016 -0.196 -0.000) 8.019 1.416 ( 7.528 2.855 -0.000) 8.051 1.447 ( 10.449 1.029 -0.000) 10.500 1.523 ( -1.947 1.392 0.000) 2.393 1.594 ( -1.700 -3.338 0.000) 3.746 1.730 ( -1.404 0.819 0.000) 1.625 1.741 ( -8.537 -0.566 0.000) 8.556 1.857 ( -4.209 0.606 0.000) 4.252 1.858 ( 3.655 0.706 -0.000) 3.722 1.890 ( 1.199 -1.606 -0.000) 2.005 1.895 ( -0.805 -2.084 0.000) 2.234 2.013 ( -7.131 0.847 0.000) 7.181 2.065 ( -7.277 -2.335 0.000) 7.643 2.174 ( -3.391 0.595 0.000) 3.442 2.205 ( 1.180 -1.841 -0.000) 2.187 2.527 ( -2.075 -1.217 0.000) 2.406 2.530 ( -5.692 -1.163 0.000) 5.810 2.646 ( -6.753 4.349 0.000) 8.032 2.683 ( -3.536 0.845 0.000) 3.636 2.866 ( 9.778 -0.718 -0.000) 9.804 2.892 ( 8.234 -1.847 -0.000) 8.439 4.023 ( 36.953 0.433 -0.000) 36.955 4.027 ( 36.558 0.298 -0.000) 36.559 4.430 ( -6.337 1.319 0.000) 6.473 4.457 ( -6.150 -0.477 0.000) 6.168 4.940 ( 3.573 0.145 -0.000) 3.576 4.949 ( 3.404 -0.365 -0.000) 3.424 4.982 ( 3.257 1.367 -0.000) 3.532 5.019 ( 2.781 -1.085 -0.000) 2.986 5.337 ( -25.613 0.196 0.000) 25.614 5.343 ( -25.308 -0.207 0.000) 25.309 6.734 ( 1.221 -0.225 -0.000) 1.241 6.739 ( 0.955 -0.492 -0.000) 1.074 6.840 ( -0.070 0.392 -0.000) 0.398 6.842 ( 0.416 0.166 -0.000) 0.448 7.324 ( -0.925 0.488 0.000) 1.046 7.334 ( -0.621 -0.138 0.000) 0.636 8.221 ( 3.252 0.192 -0.000) 3.257 8.230 ( 3.244 -0.344 -0.000) 3.262 12.516 ( -0.233 0.180 0.000) 0.295 12.521 ( 0.101 -0.177 -0.000) 0.204 13.008 ( -0.437 0.440 0.000) 0.620 13.040 ( 0.779 0.245 -0.000) 0.817 13.083 ( -1.223 -1.546 0.000) 1.972 13.096 ( 0.134 -0.198 -0.000) 0.239 13.402 ( 0.182 5.066 -0.000) 5.069 13.530 ( -0.749 -2.847 0.000) 2.944 ======================= Grid point 194 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -12.173 7.169 -1.326) 14.189 1.091 ( -8.749 -0.178 -0.112) 8.751 1.248 ( -3.547 -2.974 0.093) 4.630 1.405 ( -0.974 -2.405 1.525) 3.010 1.520 ( -3.629 1.923 0.921) 4.209 1.624 ( -3.851 -0.152 -1.132) 4.017 1.640 ( 0.424 1.559 -0.394) 1.663 1.707 ( 2.690 1.295 -0.998) 3.148 1.827 ( 2.433 -1.870 -0.141) 3.072 1.874 ( 2.421 -2.542 0.192) 3.515 1.993 ( -2.558 1.541 0.147) 2.990 2.038 ( 2.688 0.176 -0.377) 2.720 2.151 ( 5.710 4.308 1.195) 7.251 2.228 ( 4.365 2.309 -0.420) 4.956 2.252 ( 2.451 0.956 0.033) 2.631 2.348 ( 0.766 0.129 0.499) 0.924 2.585 ( -3.227 -1.941 0.293) 3.777 2.604 ( -13.372 3.740 -0.006) 13.885 2.637 ( 11.659 2.601 -0.149) 11.946 2.763 ( 8.468 -0.892 1.862) 8.716 2.789 ( 6.671 -2.065 0.574) 7.007 2.811 ( 4.898 0.261 -3.006) 5.753 3.273 ( -40.660 0.358 -0.125) 40.662 3.330 ( -39.670 -2.148 0.147) 39.728 4.550 ( 7.726 -0.622 0.317) 7.757 4.574 ( 7.148 -1.307 -0.197) 7.270 4.836 ( -6.932 -0.317 0.055) 6.940 4.853 ( -7.105 -0.423 -0.024) 7.117 4.910 ( -5.239 -0.046 1.636) 5.489 4.926 ( -5.737 0.238 -1.761) 6.006 5.753 ( 19.861 0.024 0.020) 19.861 5.759 ( 19.991 -0.198 0.028) 19.992 6.730 ( -1.224 0.818 0.499) 1.554 6.734 ( -1.336 0.850 -0.453) 1.647 6.795 ( -0.318 0.040 -0.165) 0.361 6.844 ( -1.017 -1.140 0.105) 1.531 7.321 ( 1.804 0.047 -0.108) 1.808 7.363 ( 1.841 -0.988 0.135) 2.093 8.145 ( -5.773 0.630 0.028) 5.807 8.156 ( -5.282 0.207 -0.020) 5.286 12.522 ( 0.923 0.393 -0.038) 1.004 12.526 ( -0.203 0.136 -0.017) 0.245 12.994 ( -0.512 -0.637 1.333) 1.563 13.006 ( -0.830 0.102 -1.514) 1.729 13.124 ( 0.900 -2.811 3.237) 4.381 13.155 ( 1.346 -0.525 -3.146) 3.462 13.275 ( -1.945 3.048 0.207) 3.622 13.582 ( 0.678 -1.984 0.173) 2.104 ======================= Grid point 195 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -7.274 -3.238 0.000) 7.962 1.222 ( -9.775 1.032 0.000) 9.829 1.298 ( -5.194 -1.547 0.000) 5.420 1.443 ( -5.075 -3.076 0.000) 5.934 1.549 ( 3.597 1.102 -0.000) 3.762 1.647 ( 0.102 0.397 -0.000) 0.409 1.683 ( -0.999 2.340 0.000) 2.545 1.693 ( -3.217 0.749 0.000) 3.303 1.784 ( 0.018 -0.101 0.000) 0.102 1.824 ( 1.723 -0.077 -0.000) 1.725 1.982 ( 4.249 1.051 -0.000) 4.377 2.002 ( 4.129 2.172 -0.000) 4.665 2.067 ( 5.119 -0.006 -0.000) 5.119 2.121 ( 7.429 1.290 -0.000) 7.540 2.192 ( 7.080 3.360 -0.000) 7.837 2.301 ( 2.798 -2.582 -0.000) 3.807 2.483 ( 3.956 3.907 -0.000) 5.560 2.531 ( 2.426 -2.541 -0.000) 3.513 2.618 ( 5.507 -2.670 -0.000) 6.120 2.638 ( 4.180 -0.520 -0.000) 4.212 2.872 ( -10.342 2.106 0.000) 10.554 2.936 ( -7.659 1.011 0.000) 7.726 3.995 ( -37.294 0.241 0.000) 37.295 4.025 ( -36.317 -1.014 0.000) 36.331 4.418 ( 5.651 -0.154 -0.000) 5.653 4.445 ( 5.330 -1.069 -0.000) 5.436 4.934 ( -3.865 -0.191 0.000) 3.869 4.949 ( -3.725 -0.442 0.000) 3.751 4.981 ( -2.254 0.730 0.000) 2.369 5.012 ( -3.455 -0.284 0.000) 3.467 5.342 ( 24.956 0.196 -0.000) 24.957 5.344 ( 25.126 0.061 -0.000) 25.126 6.750 ( -0.409 0.832 0.000) 0.927 6.761 ( -0.486 0.367 0.000) 0.609 6.803 ( -0.830 0.290 0.000) 0.879 6.848 ( -0.420 -1.176 0.000) 1.249 7.305 ( 0.282 0.228 -0.000) 0.363 7.337 ( 0.539 -0.699 -0.000) 0.882 8.229 ( -2.609 0.242 0.000) 2.621 8.231 ( -3.194 0.261 0.000) 3.205 12.513 ( 0.509 0.680 -0.000) 0.849 12.530 ( 0.026 0.096 -0.000) 0.100 12.991 ( -0.392 -1.270 0.000) 1.329 13.028 ( -0.337 2.295 -0.000) 2.320 13.097 ( -0.348 -4.586 0.000) 4.599 13.124 ( 1.370 0.599 -0.000) 1.496 13.325 ( -0.862 3.769 -0.000) 3.867 13.554 ( 0.535 -1.954 -0.000) 2.026 ======================= Grid point 204 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -11.575 10.770 0.000) 15.810 0.888 ( -11.028 6.834 0.000) 12.974 1.177 ( -5.439 2.004 0.000) 5.796 1.426 ( -5.128 3.590 0.000) 6.260 1.454 ( 3.920 -2.625 -0.000) 4.718 1.510 ( -9.160 1.059 0.000) 9.221 1.656 ( 1.995 0.494 -0.000) 2.055 1.731 ( 0.024 0.868 -0.000) 0.868 1.801 ( -16.068 5.449 0.000) 16.967 1.855 ( -3.265 -3.220 0.000) 4.585 1.947 ( 2.233 -2.685 -0.000) 3.492 2.104 ( 3.512 0.118 -0.000) 3.514 2.179 ( -4.000 1.787 0.000) 4.381 2.195 ( -8.964 -0.631 0.000) 8.987 2.299 ( -8.324 3.835 0.000) 9.165 2.333 ( 6.475 3.013 -0.000) 7.142 2.368 ( 0.775 -0.583 -0.000) 0.970 2.412 ( -10.166 1.581 0.000) 10.288 2.608 ( -24.674 0.740 0.000) 24.685 2.650 ( -25.396 -4.318 0.000) 25.761 2.920 ( 10.680 1.179 -0.000) 10.745 2.936 ( 9.521 -0.992 -0.000) 9.572 2.981 ( 11.997 -0.268 -0.000) 12.000 3.053 ( 13.480 -1.909 -0.000) 13.615 4.670 ( -4.316 -1.480 0.000) 4.562 4.680 ( 4.564 -0.866 -0.000) 4.645 4.708 ( -8.139 -0.195 0.000) 8.141 4.733 ( 1.832 -0.795 -0.000) 1.997 4.782 ( -7.890 0.248 0.000) 7.894 4.829 ( -4.993 -0.406 0.000) 5.010 6.049 ( 12.675 -0.010 -0.000) 12.675 6.060 ( 12.849 -0.310 -0.000) 12.853 6.694 ( -1.745 0.354 0.000) 1.780 6.715 ( -0.412 0.570 0.000) 0.703 6.786 ( -0.485 0.349 0.000) 0.598 6.827 ( -1.547 -0.527 0.000) 1.634 7.377 ( 4.579 -0.006 -0.000) 4.579 7.422 ( 3.802 -1.075 -0.000) 3.951 8.019 ( -7.394 0.792 0.000) 7.436 8.039 ( -7.428 0.089 0.000) 7.428 12.523 ( -0.059 -0.010 0.000) 0.060 12.540 ( 1.168 -0.160 -0.000) 1.179 12.966 ( -1.874 0.592 0.000) 1.966 13.011 ( -0.332 -2.450 0.000) 2.473 13.161 ( 1.197 1.827 -0.000) 2.184 13.189 ( 1.492 -5.156 -0.000) 5.367 13.207 ( -2.895 3.016 0.000) 4.181 13.600 ( -0.954 -2.401 0.000) 2.583 ======================= Grid point 214 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -0.000 15.526 -0.000) 15.526 0.608 ( -0.000 19.114 -0.000) 19.114 0.855 ( -0.000 26.669 -0.000) 26.669 0.903 ( -0.000 12.109 -0.000) 12.109 1.170 ( -0.000 13.162 -0.000) 13.162 1.398 ( -0.000 1.750 -0.000) 1.750 1.497 ( 0.000 -2.185 0.000) 2.185 1.589 ( 0.000 -9.179 0.000) 9.179 1.730 ( -0.000 0.720 -0.000) 0.720 1.781 ( -0.000 0.807 -0.000) 0.807 1.887 ( 0.000 -3.179 0.000) 3.179 2.019 ( 0.000 -3.475 0.000) 3.475 2.036 ( 0.000 -3.578 0.000) 3.578 2.143 ( 0.000 -0.488 0.000) 0.488 2.159 ( -0.000 0.525 -0.000) 0.525 2.184 ( -0.000 3.720 -0.000) 3.720 2.232 ( 0.000 -5.073 0.000) 5.073 2.291 ( 0.000 -0.831 0.000) 0.831 2.505 ( -0.000 0.994 -0.000) 0.994 2.763 ( 0.000 -3.637 0.000) 3.637 3.142 ( -0.000 0.214 -0.000) 0.214 3.192 ( 0.000 -0.590 0.000) 0.590 3.287 ( -0.000 0.593 -0.000) 0.593 3.435 ( 0.000 -2.052 0.000) 2.052 4.465 ( 0.000 -2.259 0.000) 2.259 4.471 ( 0.000 -2.576 0.000) 2.576 4.527 ( -0.000 1.182 -0.000) 1.182 4.712 ( 0.000 -1.193 0.000) 1.193 4.815 ( 0.000 -0.218 0.000) 0.218 4.839 ( 0.000 -1.666 0.000) 1.666 6.254 ( -0.000 0.649 -0.000) 0.649 6.278 ( 0.000 -0.231 0.000) 0.231 6.657 ( 0.000 -0.210 0.000) 0.210 6.697 ( 0.000 -0.993 0.000) 0.993 6.775 ( -0.000 0.796 -0.000) 0.796 6.809 ( -0.000 0.192 -0.000) 0.192 7.570 ( -0.000 1.371 -0.000) 1.371 7.579 ( -0.000 0.487 -0.000) 0.487 7.789 ( 0.000 -0.534 0.000) 0.534 7.790 ( 0.000 -0.533 0.000) 0.533 12.527 ( 0.000 -0.126 0.000) 0.126 12.567 ( 0.000 -0.744 0.000) 0.744 12.853 ( -0.000 0.873 -0.000) 0.873 13.000 ( 0.000 -2.243 0.000) 2.243 13.110 ( -0.000 2.474 -0.000) 2.474 13.204 ( -0.000 3.290 -0.000) 3.290 13.340 ( 0.000 -2.382 0.000) 2.382 13.391 ( 0.000 -0.101 0.000) 0.101 ======================= Grid point 215 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -7.887 13.673 2.490) 15.980 0.831 ( -5.769 16.049 1.526) 17.123 1.121 ( -6.764 9.216 -0.719) 11.454 1.292 ( -18.835 13.010 -1.092) 22.917 1.355 ( -9.201 9.861 0.294) 13.490 1.475 ( -0.298 -5.415 -0.885) 5.495 1.533 ( -10.048 2.549 1.794) 10.521 1.590 ( -14.554 -1.449 -0.114) 14.626 1.720 ( 3.554 0.707 0.115) 3.625 1.747 ( -1.122 -0.051 -0.113) 1.129 1.954 ( 0.981 -2.703 -4.106) 5.012 1.991 ( -10.720 -3.398 -0.244) 11.248 2.025 ( -2.173 -5.415 2.222) 6.243 2.140 ( 1.003 -2.380 0.651) 2.663 2.231 ( -2.913 3.700 -1.228) 4.867 2.250 ( -10.649 -2.762 -0.936) 11.042 2.265 ( -6.209 0.820 1.457) 6.430 2.320 ( -3.409 -1.960 1.116) 4.088 2.492 ( 1.309 0.701 0.365) 1.529 2.578 ( 13.177 0.136 -0.392) 13.184 3.081 ( 6.600 -0.109 -0.906) 6.663 3.129 ( 7.641 -0.484 0.603) 7.680 3.194 ( 9.837 0.219 0.659) 9.861 3.281 ( 12.395 -1.475 -0.398) 12.488 4.522 ( -7.306 -1.826 0.022) 7.531 4.541 ( -8.051 -1.740 -0.015) 8.237 4.613 ( -7.403 0.539 0.192) 7.425 4.738 ( -3.687 -1.240 -0.392) 3.910 4.781 ( 3.170 -0.275 0.125) 3.184 4.796 ( 3.255 -1.420 -0.096) 3.553 6.212 ( 5.474 0.201 -0.012) 5.478 6.225 ( 5.828 -0.284 0.056) 5.835 6.668 ( -1.216 -0.031 0.080) 1.219 6.702 ( -1.048 -0.756 0.030) 1.293 6.784 ( -0.228 0.738 -0.041) 0.774 6.809 ( -0.234 0.310 -0.038) 0.390 7.487 ( 7.088 0.169 -0.061) 7.091 7.504 ( 5.757 -0.198 0.084) 5.761 7.883 ( -7.861 0.342 0.047) 7.869 7.892 ( -8.403 -0.130 0.044) 8.404 12.524 ( 0.158 -0.045 0.080) 0.182 12.554 ( 0.673 -0.641 -0.054) 0.931 12.906 ( -3.833 -0.646 0.038) 3.887 12.985 ( -0.365 -2.420 -0.574) 2.514 13.152 ( -2.013 2.018 -0.514) 2.896 13.215 ( 2.063 2.020 -1.436) 3.225 13.231 ( 3.347 0.536 2.129) 4.002 13.508 ( -6.401 -3.344 -0.567) 7.243 ======================= Grid point 216 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -8.685 10.574 2.820) 13.971 1.013 ( -3.207 8.395 1.971) 9.200 1.210 ( -0.129 2.905 -1.193) 3.143 1.378 ( 0.863 -4.252 -3.341) 5.476 1.468 ( -3.357 2.083 -1.241) 4.141 1.556 ( -5.135 1.518 5.301) 7.535 1.671 ( 1.641 1.942 -1.147) 2.789 1.730 ( 0.223 -0.891 -1.260) 1.559 1.820 ( -3.449 0.043 -0.668) 3.514 1.859 ( -4.875 -0.588 0.965) 5.005 1.922 ( -3.349 1.248 -1.235) 3.782 2.077 ( -0.151 -3.935 2.482) 4.655 2.198 ( -7.790 2.711 -1.444) 8.374 2.215 ( -7.392 1.392 0.046) 7.522 2.340 ( 2.158 -1.001 -0.757) 2.497 2.351 ( -0.657 0.182 0.536) 0.867 2.368 ( -8.541 2.056 1.156) 8.861 2.433 ( -10.534 1.795 -1.098) 10.742 2.606 ( -27.603 -0.317 -1.070) 27.626 2.631 ( -24.092 0.625 1.242) 24.132 2.905 ( 10.751 -1.158 -1.530) 10.921 2.914 ( 13.799 -1.426 -0.990) 13.908 2.985 ( 13.480 -0.995 -0.115) 13.517 3.039 ( 11.584 -0.500 2.722) 11.910 4.650 ( -2.732 -1.001 -0.182) 2.916 4.670 ( 3.086 -0.746 0.400) 3.200 4.699 ( -7.637 -0.712 -0.425) 7.682 4.718 ( 0.077 -1.005 -0.079) 1.011 4.777 ( -7.288 -0.155 -1.415) 7.426 4.829 ( -5.911 -0.277 1.581) 6.125 6.049 ( 12.710 -0.012 -0.039) 12.710 6.055 ( 12.852 -0.305 -0.026) 12.855 6.699 ( -1.988 0.325 -0.276) 2.033 6.721 ( -1.290 0.123 0.320) 1.335 6.792 ( -0.236 0.395 -0.101) 0.471 6.820 ( -0.751 -0.378 0.073) 0.844 7.378 ( 4.565 0.060 0.089) 4.566 7.406 ( 4.058 -0.926 -0.182) 4.166 8.030 ( -7.446 0.663 0.082) 7.476 8.040 ( -7.529 0.123 0.000) 7.530 12.524 ( -0.131 0.110 0.062) 0.181 12.538 ( 0.667 -0.134 0.112) 0.690 12.960 ( -2.434 -1.294 -0.618) 2.825 12.976 ( -1.177 -2.151 -0.016) 2.452 13.131 ( 2.457 -0.256 -2.033) 3.199 13.195 ( 1.318 0.078 2.944) 3.227 13.262 ( -1.808 4.627 -0.599) 5.004 13.551 ( -1.986 -3.655 -0.500) 4.189 ======================= Grid point 217 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -4.741 0.940 -0.471) 4.857 1.109 ( -5.183 5.141 2.164) 7.614 1.223 ( -2.453 -0.829 1.596) 3.041 1.343 ( -2.094 -3.265 -2.295) 4.506 1.532 ( -2.575 1.654 -2.204) 3.771 1.638 ( -1.133 1.093 0.042) 1.575 1.665 ( 0.033 0.560 0.601) 0.823 1.720 ( -1.310 -1.131 1.812) 2.506 1.827 ( 1.625 -0.682 2.348) 2.936 1.838 ( 0.816 -0.763 0.150) 1.127 1.998 ( -1.483 0.104 -1.317) 1.986 2.045 ( 1.468 -0.048 1.047) 1.803 2.180 ( 6.729 2.224 -3.336) 7.833 2.272 ( 0.988 2.655 0.324) 2.851 2.283 ( 2.974 2.385 1.213) 4.000 2.334 ( 2.759 -1.003 -0.954) 3.087 2.562 ( 2.283 -1.131 0.770) 2.662 2.650 ( 1.938 -1.189 0.482) 2.324 2.656 ( -3.226 3.383 -1.370) 4.871 2.716 ( 9.374 -0.522 -3.793) 10.125 2.767 ( -1.382 -1.124 -0.400) 1.826 2.853 ( 7.534 0.565 4.467) 8.777 3.280 ( -40.702 0.304 0.202) 40.704 3.303 ( -40.422 -1.184 -0.064) 40.439 4.533 ( 7.656 -0.685 -1.033) 7.756 4.565 ( 7.014 -0.585 0.894) 7.095 4.828 ( -7.147 -0.465 -0.451) 7.177 4.846 ( -7.171 -0.497 0.243) 7.192 4.892 ( -5.945 -0.326 -1.955) 6.267 4.948 ( -5.471 0.331 2.135) 5.882 5.753 ( 19.851 -0.042 -0.154) 19.852 5.756 ( 19.762 -0.145 -0.057) 19.762 6.735 ( -1.733 0.533 -0.636) 1.921 6.750 ( -1.063 0.689 0.345) 1.313 6.799 ( -0.408 0.143 0.303) 0.528 6.827 ( -0.599 -0.955 -0.021) 1.127 7.324 ( 1.771 0.133 0.143) 1.782 7.347 ( 1.638 -0.866 -0.240) 1.869 8.152 ( -5.362 0.344 -0.262) 5.379 8.160 ( -5.480 0.257 0.173) 5.489 12.528 ( 0.492 0.363 0.068) 0.615 12.530 ( -0.070 0.215 0.043) 0.231 12.963 ( -0.740 -1.497 -0.955) 1.924 13.000 ( -2.077 -2.378 -0.783) 3.253 13.093 ( 1.509 1.420 0.171) 2.079 13.176 ( 1.711 -0.550 2.563) 3.131 13.322 ( -1.308 4.212 -1.804) 4.765 13.541 ( -0.280 -3.229 0.094) 3.243 ======================= Grid point 218 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -7.276 -2.126 -1.964) 7.831 1.223 ( -5.366 -0.848 0.454) 5.452 1.323 ( -5.209 0.981 0.927) 5.381 1.395 ( -5.370 -1.911 0.185) 5.703 1.556 ( -1.226 1.421 -2.161) 2.862 1.647 ( 0.408 0.555 -0.009) 0.689 1.664 ( 0.204 -0.828 1.432) 1.666 1.755 ( 0.374 0.034 0.695) 0.789 1.828 ( -1.371 -0.628 1.267) 1.970 1.837 ( -1.240 0.773 5.231) 5.431 1.988 ( 2.965 2.051 -2.344) 4.300 2.017 ( 4.444 1.618 -0.825) 4.801 2.050 ( 6.335 1.336 -2.192) 6.835 2.141 ( 11.794 -0.284 -0.060) 11.798 2.180 ( 7.143 -0.504 -3.266) 7.871 2.294 ( 2.081 -0.288 2.290) 3.108 2.452 ( 5.774 -1.662 -4.800) 7.691 2.522 ( 0.190 -0.373 -0.599) 0.730 2.597 ( 0.811 1.169 1.769) 2.270 2.686 ( 7.472 0.127 4.055) 8.503 2.899 ( -8.938 1.482 -0.236) 9.064 2.933 ( -7.424 -0.429 -0.834) 7.483 4.001 ( -37.068 0.203 0.164) 37.069 4.012 ( -36.869 -0.580 -0.094) 36.873 4.397 ( 5.567 -0.415 -1.327) 5.738 4.451 ( 4.921 -0.144 1.260) 5.082 4.925 ( -4.037 -0.373 -0.621) 4.101 4.945 ( -3.788 -0.290 0.256) 3.808 4.968 ( -3.252 0.035 -1.431) 3.553 5.032 ( -2.513 0.228 1.626) 3.001 5.337 ( 25.155 0.011 -0.467) 25.159 5.349 ( 24.651 0.094 0.139) 24.652 6.756 ( 0.142 0.325 -0.305) 0.468 6.763 ( -0.536 0.232 -0.287) 0.651 6.811 ( -0.265 0.078 0.161) 0.320 6.837 ( -1.320 -0.427 0.430) 1.452 7.307 ( 0.392 0.102 -0.227) 0.465 7.328 ( 0.099 -0.428 0.131) 0.458 8.225 ( -2.769 0.082 -0.486) 2.812 8.239 ( -2.799 0.146 0.212) 2.811 12.518 ( 0.726 0.283 -0.368) 0.862 12.533 ( 0.070 0.222 0.140) 0.272 12.966 ( -0.962 -0.502 -1.021) 1.490 13.001 ( -1.096 -2.563 -2.142) 3.515 13.096 ( 0.751 2.363 2.030) 3.205 13.154 ( 0.988 -1.234 2.816) 3.229 13.354 ( -0.495 3.254 -3.568) 4.855 13.526 ( -0.269 -2.265 0.948) 2.470 ======================= Grid point 219 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -6.495 -0.355 0.037) 6.505 1.336 ( -7.742 -0.370 -2.495) 8.143 1.391 ( -1.141 1.027 -2.113) 2.612 1.421 ( 1.820 -0.614 1.950) 2.737 1.586 ( 2.957 -0.565 3.198) 4.392 1.661 ( 1.628 -0.074 4.020) 4.338 1.664 ( -5.615 -0.147 -2.043) 5.977 1.729 ( 1.205 0.083 -2.737) 2.992 1.840 ( 7.325 1.983 -0.244) 7.592 1.858 ( 2.848 0.189 -2.412) 3.737 1.880 ( 7.540 -0.700 -0.762) 7.610 1.920 ( -2.664 -0.164 4.908) 5.587 1.943 ( -0.205 0.141 -2.008) 2.024 2.038 ( 1.797 -0.661 0.399) 1.956 2.105 ( -0.292 0.355 -3.048) 3.082 2.265 ( 0.225 -1.073 1.778) 2.089 2.374 ( -0.441 -0.598 -3.845) 3.916 2.574 ( -3.930 1.400 -0.540) 4.207 2.595 ( 2.473 0.101 3.670) 4.427 2.636 ( -1.919 0.183 1.227) 2.285 2.969 ( 2.456 0.051 -0.850) 2.599 2.985 ( 1.433 -0.531 -0.617) 1.648 4.343 ( -0.790 0.113 -1.241) 1.475 4.392 ( -1.382 -0.092 0.352) 1.429 4.490 ( 0.962 0.285 0.417) 1.086 4.501 ( -2.996 -0.121 0.623) 3.063 4.961 ( -0.343 0.105 -0.239) 0.431 4.968 ( -0.457 0.167 -0.041) 0.488 4.974 ( -0.014 0.183 0.126) 0.223 4.986 ( -0.583 -0.519 -0.162) 0.797 5.006 ( 1.463 -0.117 -1.133) 1.854 5.060 ( 1.014 0.055 0.749) 1.262 6.743 ( 0.871 -0.130 -0.373) 0.957 6.763 ( 0.796 -0.008 0.312) 0.855 6.813 ( -0.281 -0.030 -0.862) 0.907 6.863 ( -0.974 0.190 0.946) 1.371 7.304 ( -0.108 0.017 -0.567) 0.577 7.333 ( -0.592 -0.035 0.453) 0.746 8.249 ( -0.023 0.012 -0.387) 0.388 8.261 ( 0.474 -0.020 0.048) 0.477 12.505 ( 0.484 0.009 -0.747) 0.890 12.532 ( 0.238 0.093 0.235) 0.347 12.976 ( -0.351 0.056 -1.454) 1.497 12.998 ( -1.607 -1.359 -1.654) 2.677 13.101 ( 1.087 1.138 1.583) 2.233 13.154 ( -0.180 -0.631 3.886) 3.941 13.361 ( -0.297 1.720 -4.925) 5.225 13.528 ( -0.781 -0.995 1.553) 2.003 ======================= Grid point 220 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 15.158 0.000 -2.810) 15.416 1.335 ( 7.759 0.000 2.099) 8.038 1.429 ( 1.149 0.000 1.269) 1.712 1.476 ( -1.381 0.000 1.814) 2.280 1.551 ( 1.578 0.000 0.568) 1.677 1.570 ( 6.749 0.000 -0.458) 6.765 1.644 ( 0.538 -0.000 -5.016) 5.045 1.719 ( -1.623 -0.000 -3.251) 3.634 1.819 ( -2.564 -0.000 0.286) 2.580 1.828 ( -4.423 -0.000 -1.271) 4.602 1.874 ( -5.536 -0.000 0.351) 5.547 1.970 ( -0.350 0.000 2.480) 2.505 2.002 ( 1.859 0.000 0.430) 1.908 2.090 ( -11.375 -0.000 0.896) 11.410 2.130 ( -3.451 -0.000 -0.932) 3.574 2.283 ( -0.215 0.000 3.897) 3.903 2.408 ( -5.418 -0.000 -3.824) 6.631 2.614 ( -3.120 0.000 2.395) 3.933 2.671 ( -6.180 -0.000 -0.128) 6.182 2.704 ( -5.376 -0.000 0.526) 5.402 2.821 ( 11.595 0.000 -2.052) 11.775 2.870 ( 10.068 0.000 -0.533) 10.082 3.997 ( 37.292 0.000 -0.818) 37.301 4.058 ( 35.272 0.000 0.752) 35.280 4.429 ( -6.485 -0.000 -0.251) 6.490 4.475 ( -5.908 -0.000 0.873) 5.972 4.934 ( 3.392 0.000 -0.267) 3.403 4.950 ( 3.499 0.000 0.144) 3.502 4.974 ( 2.203 -0.000 -0.944) 2.397 5.018 ( 4.007 0.000 0.303) 4.019 5.336 ( -25.457 -0.000 -0.114) 25.457 5.342 ( -25.598 -0.000 0.056) 25.598 6.724 ( 0.952 -0.000 -0.246) 0.983 6.742 ( 1.434 0.000 0.231) 1.453 6.811 ( 0.169 -0.000 -0.872) 0.888 6.876 ( 0.113 0.000 0.890) 0.897 7.307 ( -0.576 -0.000 -0.647) 0.866 7.351 ( -1.161 0.000 0.546) 1.283 8.222 ( 3.728 0.000 -0.126) 3.730 8.223 ( 2.744 0.000 -0.104) 2.746 12.500 ( -0.404 -0.000 -0.616) 0.737 12.528 ( 0.218 0.000 0.157) 0.269 12.968 ( 0.191 -0.000 -1.521) 1.533 13.023 ( -1.976 -0.000 -1.006) 2.217 13.093 ( 0.786 0.000 1.409) 1.614 13.175 ( -0.272 0.000 4.298) 4.306 13.350 ( -0.227 -0.000 -5.318) 5.323 13.550 ( -1.186 0.000 1.748) 2.113 ======================= Grid point 225 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -0.000 13.914 7.930) 16.015 0.616 ( -0.000 18.853 1.986) 18.957 0.851 ( -0.000 21.817 -0.655) 21.827 0.926 ( -0.000 16.401 5.090) 17.172 1.147 ( -0.000 12.695 -5.199) 13.719 1.414 ( -0.000 1.692 3.161) 3.586 1.494 ( 0.000 -1.936 -0.511) 2.002 1.583 ( 0.000 -7.968 -1.473) 8.103 1.728 ( 0.000 0.605 -0.641) 0.881 1.786 ( -0.000 0.489 1.110) 1.213 1.884 ( 0.000 -2.949 -0.867) 3.073 1.949 ( 0.000 -2.317 -8.657) 8.961 2.099 ( -0.000 -5.869 6.969) 9.111 2.139 ( 0.000 0.504 -1.012) 1.131 2.155 ( 0.000 0.755 -0.996) 1.250 2.157 ( 0.000 0.066 -3.920) 3.921 2.260 ( -0.000 -2.693 4.497) 5.242 2.297 ( -0.000 -0.335 1.469) 1.507 2.512 ( -0.000 0.876 1.561) 1.790 2.751 ( 0.000 -3.023 -2.717) 4.065 3.148 ( -0.000 -0.179 1.299) 1.311 3.193 ( 0.000 -0.650 0.072) 0.654 3.289 ( -0.000 0.590 0.385) 0.704 3.426 ( 0.000 -1.564 -2.163) 2.670 4.465 ( 0.000 -2.262 -0.039) 2.262 4.471 ( 0.000 -2.572 -0.111) 2.574 4.532 ( -0.000 1.169 1.149) 1.639 4.708 ( 0.000 -1.075 -0.986) 1.459 4.814 ( 0.000 -0.229 -0.225) 0.321 4.838 ( 0.000 -1.659 -0.274) 1.681 6.254 ( -0.000 0.640 0.177) 0.664 6.278 ( 0.000 -0.225 0.080) 0.239 6.660 ( -0.000 -0.388 0.613) 0.725 6.696 ( 0.000 -1.002 -0.076) 1.005 6.776 ( -0.000 0.795 0.060) 0.797 6.807 ( 0.000 0.313 -0.526) 0.612 7.571 ( -0.000 1.371 0.143) 1.378 7.580 ( -0.000 0.471 0.378) 0.604 7.789 ( 0.000 -0.532 -0.002) 0.532 7.790 ( 0.000 -0.531 -0.010) 0.531 12.527 ( -0.000 -0.104 0.169) 0.199 12.566 ( 0.000 -0.691 -0.313) 0.758 12.855 ( -0.000 0.883 0.377) 0.960 12.991 ( 0.000 -1.662 -2.079) 2.662 13.111 ( -0.000 2.395 0.435) 2.434 13.201 ( -0.000 3.197 -0.662) 3.265 13.340 ( 0.000 -2.229 0.183) 2.237 13.387 ( 0.000 0.104 -0.821) 0.828 ======================= Grid point 226 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -7.362 12.142 6.492) 15.613 0.856 ( -6.108 15.449 4.382) 17.181 1.108 ( -5.617 9.618 -2.511) 11.418 1.274 ( -14.425 9.858 -2.988) 17.725 1.363 ( -15.360 10.938 1.684) 18.932 1.462 ( -0.969 -2.997 -1.802) 3.628 1.557 ( -8.974 2.779 3.065) 9.882 1.589 ( -11.794 -0.963 0.222) 11.836 1.720 ( 1.016 0.268 -0.238) 1.077 1.746 ( 0.140 -0.550 0.181) 0.596 1.909 ( -1.679 -1.454 -5.794) 6.205 1.986 ( -9.161 -3.067 -1.116) 9.725 2.042 ( -1.396 -6.715 1.407) 7.001 2.148 ( -1.540 -1.621 1.102) 2.492 2.211 ( -5.817 0.919 -2.723) 6.488 2.252 ( -9.104 -1.643 0.664) 9.275 2.276 ( -2.581 1.322 1.319) 3.186 2.335 ( -3.312 -1.169 2.266) 4.180 2.498 ( 1.865 0.270 0.925) 2.100 2.572 ( 12.316 0.188 -1.045) 12.362 3.070 ( 7.498 -0.204 -1.521) 7.654 3.136 ( 8.046 -0.563 0.862) 8.111 3.204 ( 8.725 0.078 1.606) 8.872 3.274 ( 11.950 -1.385 -1.047) 12.075 4.522 ( -7.350 -1.859 0.062) 7.582 4.541 ( -8.174 -1.763 -0.095) 8.363 4.616 ( -6.873 0.489 0.619) 6.918 4.732 ( -3.241 -0.866 -0.979) 3.495 4.783 ( 2.358 -0.474 0.267) 2.420 4.794 ( 3.196 -1.360 -0.279) 3.484 6.212 ( 5.542 0.222 0.008) 5.546 6.226 ( 5.858 -0.269 0.097) 5.865 6.669 ( -1.057 -0.145 0.197) 1.085 6.702 ( -1.139 -0.746 0.079) 1.364 6.783 ( -0.177 0.693 -0.107) 0.723 6.809 ( -0.388 0.350 -0.094) 0.531 7.486 ( 6.994 0.164 -0.133) 6.998 7.505 ( 6.028 -0.146 0.185) 6.033 7.884 ( -7.896 0.334 0.136) 7.904 7.892 ( -8.379 -0.108 0.089) 8.380 12.525 ( 0.190 -0.041 0.225) 0.298 12.553 ( 0.598 -0.524 -0.152) 0.809 12.907 ( -3.695 -0.586 0.120) 3.744 12.976 ( -0.577 -1.972 -1.520) 2.556 13.145 ( -0.625 1.351 -1.011) 1.800 13.206 ( 0.818 2.949 -0.794) 3.162 13.250 ( 3.166 0.257 2.334) 3.942 13.499 ( -6.365 -2.871 -1.437) 7.129 ======================= Grid point 227 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -8.351 8.917 4.796) 13.124 1.037 ( -2.108 8.223 3.758) 9.284 1.193 ( -1.220 3.691 -2.781) 4.780 1.345 ( 0.552 -2.088 -4.223) 4.743 1.464 ( -2.853 0.748 0.258) 2.960 1.597 ( -3.824 1.212 3.898) 5.594 1.662 ( 0.402 1.140 -0.646) 1.371 1.719 ( -0.467 -0.980 -0.952) 1.444 1.806 ( -4.330 1.815 -2.785) 5.459 1.867 ( -2.297 -1.891 0.740) 3.066 1.919 ( -4.499 1.191 0.769) 4.717 2.099 ( -2.241 -2.947 2.239) 4.326 2.185 ( -5.948 2.830 -1.316) 6.717 2.214 ( -4.853 0.875 -0.360) 4.944 2.333 ( -2.976 -0.685 -0.944) 3.196 2.358 ( 0.409 -0.237 1.016) 1.120 2.378 ( -5.892 1.785 1.287) 6.289 2.421 ( -10.781 2.019 -1.618) 11.087 2.597 ( -28.406 -0.143 -1.008) 28.425 2.641 ( -23.768 0.620 1.090) 23.801 2.886 ( 11.057 -0.025 -2.318) 11.297 2.909 ( 13.610 -2.196 -0.395) 13.792 2.983 ( 14.910 -2.374 -0.420) 15.103 3.065 ( 10.095 0.237 3.321) 10.629 4.649 ( -1.249 -0.962 -0.112) 1.580 4.673 ( 2.650 -0.579 0.179) 2.719 4.696 ( -8.244 -0.958 -0.221) 8.302 4.717 ( -0.417 -0.837 -0.295) 0.980 4.765 ( -6.908 -0.662 -1.441) 7.088 4.844 ( -6.278 0.128 1.695) 6.504 6.049 ( 12.711 -0.031 -0.057) 12.711 6.055 ( 12.918 -0.300 -0.049) 12.922 6.696 ( -1.816 0.205 -0.331) 1.857 6.724 ( -1.390 0.208 0.397) 1.460 6.791 ( -0.398 0.181 -0.146) 0.461 6.821 ( -0.666 -0.202 0.106) 0.704 7.379 ( 4.440 -0.014 0.168) 4.443 7.404 ( 4.194 -0.835 -0.317) 4.288 8.031 ( -7.383 0.617 0.151) 7.410 8.040 ( -7.502 0.166 -0.021) 7.504 12.525 ( -0.084 0.071 0.119) 0.162 12.539 ( 0.641 -0.018 0.168) 0.663 12.954 ( -1.763 -1.530 -0.664) 2.427 12.973 ( -1.853 -2.032 -0.580) 2.810 13.117 ( 1.950 0.362 -1.225) 2.331 13.221 ( 1.638 -0.167 2.953) 3.381 13.255 ( -1.561 4.502 -0.967) 4.862 13.545 ( -2.236 -3.335 -0.835) 4.101 ======================= Grid point 228 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -2.943 -0.861 -0.593) 3.123 1.133 ( -4.999 5.277 3.352) 8.005 1.237 ( -3.361 0.366 1.723) 3.795 1.319 ( -2.387 -1.908 -3.404) 4.574 1.518 ( -1.969 0.860 -1.186) 2.454 1.635 ( -0.515 0.792 -0.245) 0.976 1.666 ( -0.206 -0.414 -0.704) 0.843 1.745 ( -2.693 -1.287 3.785) 4.820 1.830 ( 0.117 -1.486 -1.168) 1.894 1.853 ( 0.473 1.879 2.551) 3.204 1.991 ( -0.826 -0.799 -0.164) 1.160 2.053 ( 2.728 -0.067 0.795) 2.842 2.149 ( 6.752 1.866 -3.888) 8.012 2.272 ( -0.629 3.034 -0.010) 3.098 2.294 ( 4.747 2.559 1.300) 5.547 2.324 ( 3.554 -0.665 -1.307) 3.845 2.571 ( 2.399 -1.146 1.324) 2.970 2.643 ( 0.595 2.770 -1.574) 3.241 2.654 ( 0.112 -1.290 0.441) 1.368 2.687 ( 5.919 -0.158 -3.125) 6.695 2.762 ( -1.568 -1.526 -0.648) 2.282 2.889 ( 8.386 0.726 3.815) 9.242 3.282 ( -40.825 0.213 0.281) 40.827 3.303 ( -40.203 -0.985 -0.111) 40.215 4.525 ( 7.779 -0.792 -0.885) 7.869 4.572 ( 6.905 -0.370 0.710) 6.951 4.824 ( -7.134 -0.649 -0.463) 7.178 4.848 ( -7.148 -0.400 0.231) 7.163 4.877 ( -6.135 -0.534 -1.535) 6.347 4.964 ( -5.310 0.474 1.737) 5.606 5.751 ( 19.938 -0.097 -0.186) 19.939 5.756 ( 19.698 -0.139 -0.076) 19.698 6.730 ( -1.777 0.450 -0.516) 1.904 6.752 ( -0.764 0.667 0.140) 1.024 6.802 ( -0.855 -0.009 0.427) 0.956 6.827 ( -0.411 -0.719 -0.063) 0.831 7.326 ( 1.835 -0.006 0.226) 1.849 7.345 ( 1.549 -0.744 -0.347) 1.753 8.149 ( -5.205 0.268 -0.246) 5.217 8.161 ( -5.557 0.290 0.136) 5.566 12.529 ( 0.471 0.341 0.096) 0.589 12.530 ( 0.083 0.216 0.046) 0.236 12.955 ( -0.778 -1.631 -0.728) 1.948 12.989 ( -1.553 -2.536 -1.645) 3.399 13.100 ( 0.846 2.061 1.337) 2.598 13.198 ( 1.651 -0.758 2.618) 3.187 13.303 ( -0.882 3.654 -2.530) 4.531 13.542 ( -0.507 -2.811 0.061) 2.857 ======================= Grid point 229 (93/171) ======================= q-point: ( 0.70 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -7.423 -2.216 -1.459) 7.883 1.223 ( -4.040 -0.800 -0.434) 4.141 1.329 ( -4.129 0.055 0.502) 4.160 1.402 ( -6.875 -0.787 1.471) 7.074 1.535 ( -1.827 0.918 -2.700) 3.387 1.656 ( 0.447 0.417 1.436) 1.561 1.674 ( -2.117 -0.533 1.195) 2.489 1.766 ( 3.202 -0.440 1.957) 3.779 1.830 ( -1.449 -0.562 -0.383) 1.601 1.885 ( -1.875 1.028 5.292) 5.707 1.967 ( 3.121 2.289 -2.340) 4.523 2.008 ( 5.721 2.292 -1.245) 6.287 2.029 ( 4.404 0.935 -2.564) 5.181 2.138 ( 11.103 -1.474 -0.922) 11.238 2.158 ( 8.942 0.231 -1.882) 9.141 2.312 ( 1.882 0.230 2.030) 2.777 2.414 ( 6.743 -2.469 -4.102) 8.270 2.517 ( -0.507 -0.925 -0.438) 1.142 2.613 ( 0.550 1.595 1.822) 2.483 2.715 ( 7.667 1.069 2.763) 8.220 2.898 ( -8.859 0.923 0.013) 8.907 2.925 ( -7.427 -0.559 -1.013) 7.516 4.002 ( -36.924 0.076 0.220) 36.924 4.011 ( -36.941 -0.462 -0.153) 36.944 4.387 ( 5.642 -0.510 -0.980) 5.749 4.460 ( 4.799 0.028 0.915) 4.885 4.919 ( -4.088 -0.543 -0.577) 4.164 4.947 ( -3.750 -0.216 0.178) 3.761 4.958 ( -3.448 -0.082 -0.984) 3.587 5.045 ( -2.345 0.327 1.220) 2.664 5.334 ( 25.294 -0.031 -0.402) 25.297 5.350 ( 24.568 0.092 0.067) 24.568 6.754 ( 0.222 0.207 -0.220) 0.375 6.760 ( -0.828 0.270 -0.349) 0.939 6.813 ( 0.258 -0.182 0.191) 0.369 6.840 ( -1.642 -0.086 0.376) 1.687 7.305 ( 0.518 -0.082 -0.204) 0.563 7.329 ( -0.035 -0.266 0.108) 0.289 8.221 ( -2.759 0.035 -0.393) 2.787 8.240 ( -2.778 0.132 0.119) 2.784 12.515 ( 0.902 0.137 -0.321) 0.967 12.534 ( 0.035 0.287 0.096) 0.304 12.959 ( -0.981 -0.803 -0.670) 1.434 12.983 ( -0.895 -2.158 -1.996) 3.072 13.114 ( 0.804 2.343 1.991) 3.179 13.180 ( 0.620 -1.289 3.243) 3.545 13.320 ( -0.239 2.497 -4.229) 4.917 13.533 ( -0.384 -1.708 0.721) 1.893 ======================= Grid point 230 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -8.255 -0.380 0.174) 8.266 1.312 ( -6.791 -0.387 -2.591) 7.279 1.372 ( 0.342 0.141 -1.836) 1.873 1.452 ( 1.323 0.108 4.344) 4.542 1.611 ( 3.018 -0.378 2.476) 3.922 1.630 ( -3.491 -0.105 -3.528) 4.964 1.698 ( 1.248 0.886 -1.191) 1.939 1.718 ( 0.312 -1.211 3.782) 3.983 1.824 ( 6.010 0.519 -3.063) 6.766 1.848 ( 4.873 1.699 -0.050) 5.161 1.875 ( 8.819 -0.362 -0.500) 8.841 1.926 ( -2.397 -0.037 -1.921) 3.072 1.959 ( -1.258 -0.025 4.034) 4.226 2.038 ( 0.794 -0.599 -0.337) 1.050 2.083 ( -1.272 0.011 -2.106) 2.460 2.274 ( -0.972 -1.849 0.313) 2.112 2.350 ( -0.061 0.101 -1.710) 1.714 2.570 ( -3.766 1.088 -0.438) 3.944 2.621 ( 2.623 0.233 2.398) 3.562 2.645 ( -1.510 0.591 0.896) 1.853 2.962 ( 2.793 -0.160 -0.661) 2.875 2.980 ( 1.233 -0.506 -0.550) 1.442 4.334 ( -0.737 -0.020 -0.852) 1.127 4.394 ( -1.320 -0.045 0.148) 1.329 4.493 ( 1.550 0.267 0.374) 1.617 4.506 ( -3.889 0.001 0.455) 3.915 4.958 ( -0.708 -0.177 -0.348) 0.808 4.968 ( -0.471 0.319 0.147) 0.588 4.975 ( 0.362 0.414 0.087) 0.557 4.984 ( -0.376 -0.368 -0.067) 0.530 4.998 ( 1.362 -0.509 -0.847) 1.682 5.065 ( 1.021 0.118 0.457) 1.125 6.741 ( 0.847 -0.158 -0.238) 0.894 6.765 ( 0.673 0.013 0.171) 0.695 6.807 ( -0.072 -0.077 -0.527) 0.537 6.870 ( -1.042 0.248 0.613) 1.235 7.300 ( -0.034 -0.040 -0.379) 0.383 7.336 ( -0.665 0.009 0.287) 0.724 8.246 ( -0.112 -0.029 -0.279) 0.302 8.262 ( 0.538 -0.016 0.004) 0.538 12.499 ( 0.536 -0.058 -0.526) 0.753 12.533 ( 0.222 0.106 0.114) 0.271 12.965 ( -0.183 -0.380 -1.019) 1.103 12.986 ( -1.807 -0.899 -1.103) 2.300 13.113 ( 1.139 0.853 1.117) 1.809 13.189 ( -0.319 -0.359 4.414) 4.440 13.318 ( -0.220 1.273 -5.156) 5.316 13.539 ( -0.877 -0.670 0.929) 1.443 ======================= Grid point 231 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 16.512 0.000 -1.608) 16.590 1.344 ( 6.566 0.000 0.359) 6.576 1.451 ( 1.077 0.000 3.689) 3.843 1.490 ( -5.756 0.000 1.383) 5.920 1.555 ( 7.418 -0.000 -3.324) 8.129 1.557 ( 4.429 0.000 0.857) 4.511 1.611 ( 2.026 -0.000 -2.167) 2.967 1.690 ( 0.166 -0.000 -3.087) 3.091 1.821 ( -5.315 -0.000 -0.418) 5.332 1.823 ( -3.617 -0.000 0.376) 3.636 1.877 ( -5.344 -0.000 0.401) 5.359 1.984 ( -0.623 0.000 0.814) 1.025 2.008 ( 2.378 0.000 0.813) 2.514 2.095 ( -12.215 -0.000 0.224) 12.217 2.125 ( -3.407 -0.000 -0.360) 3.426 2.315 ( -0.693 0.000 3.412) 3.482 2.378 ( -5.569 -0.000 -3.273) 6.459 2.629 ( -3.974 0.000 0.991) 4.096 2.672 ( -5.898 -0.000 0.333) 5.907 2.708 ( -5.247 -0.000 0.304) 5.256 2.807 ( 12.615 0.000 -1.345) 12.687 2.866 ( 10.281 0.000 -0.409) 10.289 3.992 ( 37.349 0.000 -0.423) 37.351 4.063 ( 34.876 0.000 0.376) 34.878 4.428 ( -6.408 -0.000 -0.079) 6.409 4.481 ( -5.832 -0.000 0.475) 5.852 4.933 ( 3.373 0.000 -0.145) 3.377 4.951 ( 3.513 0.000 0.068) 3.514 4.968 ( 2.076 -0.000 -0.537) 2.145 5.020 ( 4.178 0.000 0.137) 4.180 5.335 ( -25.446 -0.000 -0.062) 25.446 5.342 ( -25.611 -0.000 0.027) 25.611 6.723 ( 0.920 0.000 -0.130) 0.929 6.744 ( 1.497 0.000 0.120) 1.502 6.805 ( 0.168 -0.000 -0.458) 0.488 6.882 ( 0.111 0.000 0.471) 0.484 7.303 ( -0.533 -0.000 -0.347) 0.636 7.354 ( -1.221 0.000 0.284) 1.254 8.221 ( 3.784 0.000 -0.077) 3.785 8.222 ( 2.628 0.000 -0.065) 2.629 12.496 ( -0.494 -0.000 -0.345) 0.603 12.529 ( 0.242 0.000 0.062) 0.250 12.958 ( 0.162 -0.000 -0.804) 0.820 13.017 ( -2.028 -0.000 -0.550) 2.101 13.103 ( 0.654 0.000 0.790) 1.026 13.213 ( -0.111 0.000 4.542) 4.543 13.306 ( -0.365 -0.000 -5.096) 5.109 13.561 ( -1.392 0.000 0.877) 1.645 ======================= Grid point 232 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 16.976 0.000 -0.000) 16.976 1.345 ( 5.746 0.000 -0.000) 5.746 1.475 ( 1.115 0.000 -0.000) 1.115 1.496 ( -7.652 -0.000 0.000) 7.652 1.532 ( 7.101 0.000 -0.000) 7.101 1.562 ( 5.762 0.000 -0.000) 5.762 1.604 ( 3.315 0.000 -0.000) 3.315 1.675 ( 0.729 0.000 -0.000) 0.729 1.820 ( -5.503 -0.000 0.000) 5.503 1.824 ( -3.941 -0.000 0.000) 3.941 1.879 ( -5.127 -0.000 0.000) 5.127 1.987 ( -0.053 -0.000 0.000) 0.053 2.012 ( 1.784 0.000 -0.000) 1.784 2.095 ( -12.563 -0.000 0.000) 12.563 2.124 ( -3.294 -0.000 0.000) 3.294 2.335 ( 0.642 0.000 -0.000) 0.642 2.358 ( -7.148 -0.000 0.000) 7.148 2.633 ( -4.458 -0.000 0.000) 4.458 2.674 ( -5.789 -0.000 0.000) 5.789 2.709 ( -5.204 -0.000 0.000) 5.204 2.801 ( 13.146 0.000 -0.000) 13.146 2.864 ( 10.372 0.000 -0.000) 10.372 3.990 ( 37.366 0.000 -0.000) 37.366 4.064 ( 34.725 0.000 -0.000) 34.725 4.428 ( -6.371 -0.000 0.000) 6.371 4.483 ( -5.807 -0.000 0.000) 5.807 4.932 ( 3.365 0.000 -0.000) 3.365 4.951 ( 3.519 0.000 -0.000) 3.519 4.965 ( 2.035 0.000 -0.000) 2.035 5.021 ( 4.237 0.000 -0.000) 4.237 5.335 ( -25.442 -0.000 0.000) 25.442 5.343 ( -25.616 -0.000 0.000) 25.616 6.722 ( 0.909 0.000 -0.000) 0.909 6.744 ( 1.521 0.000 -0.000) 1.521 6.803 ( 0.167 0.000 -0.000) 0.167 6.884 ( 0.111 0.000 -0.000) 0.111 7.301 ( -0.519 -0.000 0.000) 0.519 7.356 ( -1.242 -0.000 0.000) 1.242 8.221 ( 3.803 0.000 -0.000) 3.803 8.222 ( 2.587 0.000 -0.000) 2.587 12.494 ( -0.527 -0.000 0.000) 0.527 12.530 ( 0.249 0.000 -0.000) 0.249 12.955 ( 0.148 0.000 -0.000) 0.148 13.014 ( -2.050 -0.000 0.000) 2.050 13.106 ( 0.609 0.000 -0.000) 0.609 13.242 ( 0.337 0.000 -0.000) 0.337 13.274 ( -0.808 -0.000 0.000) 0.808 13.565 ( -1.468 -0.000 0.000) 1.468 ======================= Grid point 236 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -0.000 11.146 11.934) 16.330 0.640 ( -0.000 18.148 3.640) 18.509 0.843 ( -0.000 17.117 -1.355) 17.170 0.986 ( -0.000 19.492 9.168) 21.540 1.089 ( -0.000 11.979 -7.990) 14.399 1.442 ( -0.000 0.650 2.948) 3.019 1.490 ( 0.000 -1.334 -0.534) 1.437 1.564 ( 0.000 -3.996 -2.972) 4.980 1.720 ( 0.000 0.311 -1.153) 1.195 1.797 ( -0.000 -0.171 1.071) 1.085 1.872 ( 0.000 -2.514 -1.650) 3.008 1.885 ( 0.000 -2.657 -6.244) 6.786 2.124 ( 0.000 1.134 -1.983) 2.284 2.136 ( 0.000 -2.381 -1.494) 2.811 2.140 ( 0.000 -2.435 0.962) 2.619 2.145 ( 0.000 -4.066 0.472) 4.093 2.296 ( -0.000 -1.729 3.929) 4.293 2.316 ( -0.000 0.526 2.750) 2.800 2.530 ( -0.000 0.540 2.658) 2.712 2.721 ( 0.000 -1.867 -4.175) 4.573 3.161 ( -0.000 -0.906 1.770) 1.988 3.194 ( 0.000 -0.815 0.121) 0.824 3.294 ( -0.000 0.578 0.748) 0.945 3.402 ( 0.000 -0.630 -3.227) 3.288 4.464 ( 0.000 -2.275 -0.048) 2.276 4.470 ( 0.000 -2.557 -0.189) 2.564 4.546 ( -0.000 1.125 2.140) 2.418 4.696 ( 0.000 -0.756 -1.908) 2.052 4.812 ( 0.000 -0.340 -0.139) 0.368 4.834 ( 0.000 -1.625 -0.493) 1.698 6.257 ( -0.000 0.614 0.343) 0.704 6.279 ( 0.000 -0.155 -0.041) 0.160 6.667 ( -0.000 -0.737 0.902) 1.165 6.695 ( 0.000 -1.027 -0.162) 1.039 6.776 ( -0.000 0.793 0.130) 0.804 6.801 ( 0.000 0.546 -0.777) 0.949 7.573 ( -0.000 1.366 0.276) 1.394 7.584 ( -0.000 0.528 0.363) 0.641 7.789 ( 0.000 -0.528 -0.002) 0.528 7.790 ( 0.000 -0.527 -0.017) 0.527 12.529 ( -0.000 -0.051 0.338) 0.342 12.562 ( 0.000 -0.550 -0.559) 0.784 12.860 ( -0.000 0.906 0.764) 1.185 12.968 ( 0.000 -0.542 -3.110) 3.157 13.117 ( -0.000 2.249 0.885) 2.417 13.193 ( -0.000 2.965 -1.204) 3.201 13.343 ( 0.000 -1.827 0.332) 1.857 13.378 ( 0.000 0.383 -1.089) 1.155 ======================= Grid point 237 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -6.492 10.253 8.505) 14.819 0.903 ( -7.016 13.982 6.360) 16.887 1.078 ( -3.944 9.918 -4.443) 11.561 1.244 ( -13.500 7.068 -4.183) 15.802 1.382 ( -16.282 11.237 2.842) 19.986 1.449 ( -2.225 0.326 -1.189) 2.544 1.568 ( -9.600 0.912 -0.302) 9.648 1.603 ( -7.416 2.469 2.558) 8.225 1.718 ( -2.008 0.062 -0.105) 2.011 1.749 ( 1.219 -1.704 0.254) 2.110 1.862 ( -3.716 -0.815 -4.952) 6.244 1.971 ( -6.691 -2.445 -2.278) 7.479 2.050 ( -3.263 -7.042 0.795) 7.802 2.156 ( -3.801 -1.694 0.653) 4.212 2.190 ( -6.661 -0.518 -2.245) 7.048 2.254 ( -9.764 -0.270 -0.249) 9.771 2.292 ( 1.235 0.357 2.436) 2.754 2.354 ( -2.607 -0.050 2.139) 3.373 2.507 ( 2.967 -0.476 1.115) 3.205 2.561 ( 10.668 0.248 -1.362) 10.758 3.058 ( 8.393 -0.440 -1.206) 8.491 3.143 ( 8.721 -0.626 0.678) 8.770 3.218 ( 7.598 -0.167 1.735) 7.795 3.264 ( 11.108 -1.210 -1.312) 11.250 4.523 ( -7.432 -1.926 0.096) 7.678 4.539 ( -8.319 -1.747 -0.226) 8.504 4.623 ( -5.974 0.301 1.036) 6.071 4.723 ( -3.065 -0.364 -1.239) 3.326 4.785 ( 1.520 -0.588 0.250) 1.649 4.792 ( 3.114 -1.320 -0.379) 3.403 6.213 ( 5.662 0.230 0.074) 5.667 6.226 ( 5.878 -0.213 0.035) 5.882 6.671 ( -0.815 -0.309 0.223) 0.900 6.703 ( -1.281 -0.733 0.099) 1.479 6.782 ( -0.103 0.620 -0.135) 0.643 6.808 ( -0.614 0.410 -0.105) 0.746 7.485 ( 6.926 0.163 -0.129) 6.929 7.507 ( 6.357 -0.067 0.180) 6.360 7.885 ( -7.958 0.313 0.203) 7.967 7.893 ( -8.338 -0.052 0.047) 8.339 12.528 ( 0.256 -0.053 0.322) 0.415 12.551 ( 0.464 -0.317 -0.225) 0.606 12.908 ( -3.402 -0.479 0.218) 3.443 12.961 ( -0.920 -1.341 -1.915) 2.512 13.137 ( 0.659 0.727 -0.829) 1.285 13.201 ( -0.114 3.612 -0.463) 3.644 13.269 ( 2.719 0.220 2.051) 3.413 13.486 ( -6.266 -2.239 -1.709) 6.870 ======================= Grid point 238 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -7.690 6.878 5.681) 11.778 1.073 ( -0.797 7.171 4.242) 8.370 1.165 ( -2.909 4.704 -3.403) 6.494 1.309 ( 1.061 0.626 -4.365) 4.536 1.470 ( -2.503 0.020 1.002) 2.697 1.615 ( -2.251 0.231 0.503) 2.318 1.661 ( -0.756 0.136 -0.039) 0.769 1.722 ( -1.694 -0.607 1.766) 2.521 1.775 ( -4.668 3.063 -4.107) 6.931 1.872 ( -1.042 -2.384 0.420) 2.635 1.933 ( -4.984 0.743 2.069) 5.448 2.109 ( -7.555 0.444 -0.010) 7.568 2.180 ( -1.192 0.971 0.115) 1.541 2.210 ( -1.756 0.465 -0.403) 1.861 2.325 ( -5.659 -1.022 -0.753) 5.799 2.366 ( -0.901 -0.621 0.683) 1.290 2.388 ( -4.071 1.751 0.948) 4.532 2.408 ( -10.426 2.327 -1.122) 10.742 2.589 ( -29.351 0.050 -0.860) 29.364 2.648 ( -23.485 0.774 0.705) 23.508 2.869 ( 11.014 -0.000 -1.605) 11.131 2.906 ( 14.075 -2.225 -0.344) 14.254 2.979 ( 15.145 -2.957 -0.469) 15.438 3.091 ( 9.403 0.431 2.669) 9.784 4.648 ( 0.558 -0.853 0.054) 1.020 4.671 ( -0.044 -0.524 -0.451) 0.693 4.697 ( -6.738 -1.115 0.451) 6.844 4.713 ( -1.203 -0.721 -0.436) 1.469 4.754 ( -6.538 -1.026 -1.121) 6.713 4.857 ( -6.525 0.405 1.307) 6.667 6.048 ( 12.723 -0.061 -0.050) 12.723 6.054 ( 12.989 -0.288 -0.058) 12.992 6.693 ( -1.679 0.098 -0.256) 1.702 6.727 ( -1.429 0.276 0.314) 1.489 6.790 ( -0.592 -0.052 -0.128) 0.608 6.822 ( -0.577 -0.016 0.095) 0.585 7.381 ( 4.227 -0.127 0.218) 4.234 7.401 ( 4.420 -0.702 -0.365) 4.491 8.033 ( -7.283 0.541 0.191) 7.305 8.040 ( -7.493 0.239 -0.065) 7.497 12.526 ( -0.031 0.033 0.141) 0.148 12.541 ( 0.614 0.117 0.155) 0.644 12.949 ( -1.494 -1.715 -0.433) 2.316 12.966 ( -1.962 -1.910 -1.017) 2.920 13.111 ( 1.276 0.740 -0.254) 1.497 13.240 ( 1.715 2.608 0.639) 3.186 13.250 ( -1.036 1.564 0.633) 1.980 13.537 ( -2.549 -2.950 -0.874) 3.995 ======================= Grid point 239 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.840 -1.664 -0.396) 2.512 1.163 ( -4.100 4.068 3.647) 6.831 1.250 ( -4.249 1.585 1.226) 4.698 1.288 ( -2.591 -0.250 -3.608) 4.449 1.511 ( -1.254 0.173 -0.615) 1.407 1.637 ( -1.370 0.033 0.753) 1.564 1.657 ( -0.512 -0.915 -1.007) 1.454 1.777 ( -2.936 -1.410 3.300) 4.636 1.815 ( -0.669 -0.003 -2.043) 2.150 1.871 ( -0.718 1.912 1.516) 2.543 1.997 ( -0.346 -1.473 1.344) 2.024 2.059 ( 4.431 -0.074 0.492) 4.459 2.116 ( 7.052 1.481 -3.656) 8.080 2.272 ( -2.065 3.569 0.081) 4.124 2.303 ( 5.470 2.433 0.705) 6.028 2.313 ( 5.002 -0.217 -1.101) 5.127 2.585 ( 2.073 -0.919 1.834) 2.916 2.631 ( 0.424 2.214 -1.237) 2.571 2.652 ( 11.638 -3.486 -1.643) 12.259 2.668 ( -6.742 2.128 -0.638) 7.098 2.757 ( -0.912 -1.957 -0.606) 2.242 2.916 ( 8.635 0.800 2.506) 9.027 3.284 ( -41.006 0.084 0.269) 41.007 3.302 ( -39.922 -0.748 -0.132) 39.930 4.519 ( 7.877 -0.843 -0.587) 7.944 4.577 ( 6.817 -0.210 0.443) 6.835 4.820 ( -7.098 -0.796 -0.337) 7.151 4.850 ( -7.114 -0.379 0.217) 7.128 4.866 ( -6.308 -0.653 -1.037) 6.426 4.977 ( -5.195 0.567 1.135) 5.348 5.750 ( 20.007 -0.144 -0.150) 20.008 5.755 ( 19.653 -0.141 -0.064) 19.653 6.727 ( -1.800 0.379 -0.331) 1.869 6.752 ( -0.529 0.627 0.022) 0.821 6.806 ( -1.345 -0.195 0.396) 1.416 6.826 ( -0.138 -0.445 -0.097) 0.476 7.328 ( 1.958 -0.200 0.269) 1.987 7.342 ( 1.401 -0.566 -0.366) 1.555 8.148 ( -5.086 0.212 -0.171) 5.094 8.162 ( -5.595 0.302 0.083) 5.604 12.529 ( 0.534 0.302 0.091) 0.620 12.530 ( 0.153 0.234 0.029) 0.281 12.951 ( -0.837 -1.896 -0.202) 2.082 12.974 ( -1.155 -2.300 -1.680) 3.074 13.113 ( 0.316 2.291 1.556) 2.787 13.219 ( 1.422 -0.678 2.317) 2.802 13.280 ( -0.284 2.996 -2.720) 4.056 13.542 ( -0.721 -2.434 0.009) 2.539 ======================= Grid point 240 (101/171) ======================= q-point: ( 0.80 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -7.489 -2.241 -0.771) 7.855 1.218 ( -2.880 -1.000 -0.567) 3.101 1.332 ( -3.615 -0.348 0.172) 3.636 1.417 ( -9.079 0.135 1.782) 9.254 1.514 ( -0.586 0.375 -2.079) 2.192 1.661 ( -0.404 -0.187 -0.075) 0.452 1.690 ( -3.335 0.224 2.282) 4.047 1.784 ( 4.753 -1.196 2.092) 5.329 1.822 ( -1.382 -0.457 -1.150) 1.855 1.920 ( -1.378 2.726 2.387) 3.877 1.954 ( 3.028 1.658 -0.326) 3.468 1.998 ( 6.632 2.813 -1.161) 7.297 2.009 ( 2.319 0.085 -2.143) 3.159 2.128 ( 9.654 -2.642 -1.004) 10.059 2.148 ( 11.396 1.235 -0.619) 11.479 2.328 ( 1.295 0.932 1.792) 2.400 2.384 ( 7.721 -3.331 -2.886) 8.891 2.514 ( -0.866 -1.246 -0.226) 1.534 2.626 ( 0.567 1.732 1.144) 2.152 2.732 ( 7.527 1.884 1.290) 7.866 2.900 ( -8.600 0.378 0.365) 8.616 2.917 ( -7.466 -0.680 -0.925) 7.554 4.004 ( -36.728 -0.101 0.228) 36.729 4.009 ( -37.073 -0.292 -0.188) 37.075 4.380 ( 5.676 -0.559 -0.517) 5.727 4.466 ( 4.721 0.141 0.478) 4.747 4.915 ( -4.116 -0.663 -0.353) 4.184 4.948 ( -3.720 -0.186 0.106) 3.726 4.952 ( -3.583 -0.136 -0.505) 3.621 5.053 ( -2.255 0.380 0.654) 2.378 5.331 ( 25.399 -0.064 -0.235) 25.400 5.350 ( 24.514 0.089 0.024) 24.515 6.753 ( 0.351 0.077 -0.087) 0.369 6.757 ( -1.073 0.333 -0.252) 1.152 6.814 ( 0.568 -0.339 0.125) 0.673 6.843 ( -1.844 0.139 0.213) 1.862 7.304 ( 0.603 -0.204 -0.118) 0.647 7.330 ( -0.126 -0.162 0.059) 0.214 8.219 ( -2.750 -0.001 -0.220) 2.759 8.241 ( -2.762 0.117 0.051) 2.765 12.513 ( 1.027 0.043 -0.185) 1.044 12.534 ( 0.024 0.315 0.047) 0.320 12.956 ( -1.036 -1.181 -0.057) 1.572 12.968 ( -0.787 -1.751 -1.426) 2.391 13.127 ( 0.993 2.169 1.197) 2.669 13.209 ( 0.068 -1.174 3.593) 3.780 13.284 ( 0.149 2.070 -4.258) 4.736 13.538 ( -0.458 -1.390 0.368) 1.509 ======================= Grid point 241 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -8.941 -0.333 -0.004) 8.948 1.296 ( -7.086 -0.455 -0.932) 7.161 1.362 ( 1.729 -0.075 -0.577) 1.824 1.484 ( 0.911 0.272 2.526) 2.699 1.600 ( -4.336 0.270 -2.164) 4.854 1.634 ( 5.018 -1.028 1.821) 5.436 1.678 ( -0.053 0.432 -2.006) 2.053 1.757 ( 5.419 -0.328 4.065) 6.782 1.798 ( 0.400 -0.071 -3.045) 3.072 1.849 ( 6.711 2.001 0.077) 7.004 1.871 ( 9.181 -0.095 -0.216) 9.184 1.913 ( -3.391 -0.058 -0.950) 3.522 1.984 ( -0.015 0.079 1.667) 1.669 2.036 ( 0.454 -0.873 -0.046) 0.985 2.069 ( -2.537 0.025 -1.050) 2.746 2.273 ( -1.874 -2.519 -0.159) 3.144 2.343 ( 0.376 0.712 -0.326) 0.869 2.567 ( -3.719 0.909 -0.162) 3.831 2.635 ( 2.918 0.191 0.867) 3.050 2.650 ( -1.446 0.941 0.291) 1.750 2.958 ( 2.995 -0.274 -0.248) 3.018 2.977 ( 1.119 -0.519 -0.221) 1.253 4.329 ( -0.720 -0.082 -0.302) 0.785 4.395 ( -1.254 -0.032 0.038) 1.255 4.495 ( 1.863 0.243 0.148) 1.884 4.508 ( -4.405 0.087 0.166) 4.409 4.956 ( -0.840 -0.292 -0.153) 0.902 4.970 ( -0.723 0.228 0.111) 0.766 4.976 ( 0.870 0.882 -0.023) 1.238 4.985 ( -0.352 -0.300 0.094) 0.472 4.992 ( 1.277 -0.912 -0.401) 1.620 5.068 ( 1.029 0.141 0.153) 1.050 6.739 ( 0.833 -0.176 -0.082) 0.856 6.766 ( 0.578 0.027 0.051) 0.581 6.804 ( 0.068 -0.102 -0.174) 0.213 6.873 ( -1.078 0.278 0.212) 1.133 7.298 ( 0.005 -0.067 -0.133) 0.149 7.338 ( -0.703 0.029 0.098) 0.710 8.244 ( -0.159 -0.051 -0.102) 0.196 8.262 ( 0.569 -0.017 -0.003) 0.570 12.496 ( 0.564 -0.095 -0.190) 0.602 12.534 ( 0.217 0.109 0.032) 0.245 12.959 ( -0.105 -0.630 -0.365) 0.736 12.980 ( -1.918 -0.652 -0.382) 2.062 13.120 ( 1.158 0.690 0.397) 1.405 13.227 ( -0.525 -0.355 4.366) 4.412 13.275 ( -0.031 1.234 -4.635) 4.796 13.544 ( -0.931 -0.538 0.306) 1.118 ======================= Grid point 247 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.000 9.483 12.791) 15.923 0.676 ( -0.000 17.182 4.727) 17.820 0.827 ( -0.000 15.281 -2.612) 15.503 1.015 ( -0.000 11.326 -9.512) 14.791 1.078 ( -0.000 18.693 12.325) 22.391 1.452 ( 0.000 -1.351 -1.352) 1.912 1.487 ( 0.000 -0.607 -0.054) 0.609 1.534 ( 0.000 2.701 -3.879) 4.727 1.712 ( 0.000 -0.412 -0.282) 0.500 1.795 ( 0.000 -0.787 -1.951) 2.104 1.851 ( 0.000 -3.795 -1.637) 4.133 1.859 ( 0.000 -2.720 -1.281) 3.007 2.115 ( 0.000 0.006 -0.301) 0.302 2.125 ( 0.000 -2.839 -0.892) 2.976 2.126 ( -0.000 2.637 -1.894) 3.247 2.156 ( 0.000 -8.938 0.324) 8.944 2.325 ( -0.000 -0.984 2.980) 3.139 2.339 ( -0.000 0.855 2.505) 2.647 2.556 ( -0.000 0.082 3.200) 3.202 2.684 ( 0.000 -1.061 -4.439) 4.564 3.176 ( -0.000 -1.406 1.532) 2.080 3.195 ( 0.000 -1.047 0.092) 1.051 3.301 ( -0.000 0.559 1.115) 1.247 3.374 ( 0.000 0.060 -3.240) 3.241 4.464 ( 0.000 -2.310 -0.019) 2.310 4.468 ( 0.000 -2.529 -0.216) 2.538 4.567 ( -0.000 1.027 2.886) 3.063 4.676 ( 0.000 -0.318 -2.682) 2.701 4.812 ( 0.000 -0.589 0.146) 0.607 4.830 ( 0.000 -1.543 -0.626) 1.665 6.260 ( -0.000 0.565 0.483) 0.743 6.277 ( 0.000 0.005 -0.276) 0.276 6.674 ( 0.000 -1.003 0.889) 1.340 6.694 ( 0.000 -1.065 -0.267) 1.098 6.778 ( -0.000 0.795 0.220) 0.825 6.794 ( 0.000 0.718 -0.767) 1.050 7.576 ( -0.000 1.343 0.381) 1.396 7.586 ( -0.000 0.724 0.079) 0.728 7.789 ( 0.000 -0.524 0.001) 0.524 7.789 ( 0.000 -0.523 -0.020) 0.523 12.533 ( -0.000 -0.001 0.500) 0.500 12.556 ( 0.000 -0.364 -0.709) 0.797 12.868 ( -0.000 0.929 1.178) 1.500 12.941 ( 0.000 0.297 -3.128) 3.142 13.126 ( -0.000 2.162 1.273) 2.509 13.181 ( -0.000 2.691 -1.561) 3.110 13.346 ( 0.000 -1.297 0.447) 1.372 13.369 ( 0.000 0.397 -0.995) 1.071 ======================= Grid point 248 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -5.508 9.105 8.958) 13.909 0.954 ( -8.061 11.446 4.088) 14.584 1.041 ( -3.458 9.675 -3.033) 10.713 1.203 ( -13.074 6.469 -5.398) 15.554 1.408 ( -13.109 10.438 2.998) 17.023 1.444 ( -4.259 3.141 -0.150) 5.294 1.563 ( -7.501 0.998 -0.538) 7.586 1.616 ( -7.921 5.080 0.203) 9.413 1.722 ( -3.708 -0.358 1.169) 3.905 1.750 ( 1.098 -2.839 0.209) 3.051 1.826 ( -5.200 -0.498 -3.628) 6.361 1.951 ( -4.751 -2.313 -2.174) 5.714 2.056 ( -5.163 -7.243 0.611) 8.916 2.159 ( -5.278 -0.252 -0.086) 5.285 2.175 ( -6.323 -3.103 -1.042) 7.120 2.250 ( -9.649 1.151 -0.574) 9.734 2.312 ( 2.547 -0.520 2.047) 3.309 2.370 ( -1.698 1.053 1.471) 2.481 2.516 ( 4.677 -1.411 0.985) 4.983 2.550 ( 8.317 0.388 -1.262) 8.421 3.050 ( 9.026 -0.723 -0.696) 9.082 3.148 ( 9.252 -0.672 0.483) 9.289 3.231 ( 7.530 -0.555 1.196) 7.644 3.254 ( 9.628 -0.866 -1.057) 9.725 4.524 ( -7.529 -2.028 0.114) 7.798 4.537 ( -8.387 -1.658 -0.276) 8.554 4.633 ( -4.941 -0.073 1.154) 5.074 4.712 ( -3.385 0.193 -1.173) 3.588 4.786 ( 1.589 -0.539 0.009) 1.678 4.789 ( 2.457 -1.364 -0.173) 2.815 6.213 ( 5.803 0.207 0.111) 5.807 6.226 ( 5.859 -0.123 -0.038) 5.860 6.672 ( -0.590 -0.451 0.166) 0.761 6.704 ( -1.419 -0.720 0.081) 1.593 6.781 ( -0.041 0.549 -0.110) 0.562 6.807 ( -0.816 0.463 -0.077) 0.942 7.484 ( 6.909 0.164 -0.086) 6.912 7.508 ( 6.606 0.006 0.118) 6.607 7.887 ( -8.036 0.274 0.224) 8.044 7.893 ( -8.289 0.036 -0.042) 8.289 12.530 ( 0.353 -0.105 0.322) 0.489 12.549 ( 0.298 -0.069 -0.238) 0.387 12.911 ( -2.934 -0.342 0.327) 2.971 12.945 ( -1.364 -0.847 -1.655) 2.306 13.132 ( 1.418 0.347 -0.467) 1.532 13.198 ( -0.558 3.952 -0.269) 4.000 13.284 ( 2.274 0.317 1.424) 2.702 13.472 ( -6.127 -1.747 -1.356) 6.514 ======================= Grid point 249 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -6.461 5.161 5.835) 10.121 1.087 ( -2.280 4.246 -2.307) 5.343 1.156 ( -2.385 6.403 2.460) 7.262 1.271 ( 1.549 4.077 -4.554) 6.306 1.479 ( -2.105 -0.615 0.912) 2.375 1.614 ( -2.690 -0.779 -0.367) 2.825 1.662 ( 0.192 -0.836 0.585) 1.038 1.730 ( -4.050 2.822 -1.998) 5.325 1.752 ( -3.583 0.957 0.468) 3.738 1.874 ( -0.901 -2.333 0.152) 2.505 1.949 ( -4.582 -0.025 1.597) 4.852 2.102 ( -11.788 4.234 -1.073) 12.571 2.185 ( 1.161 -0.692 0.726) 1.535 2.208 ( 2.007 -0.177 -0.260) 2.032 2.320 ( -7.540 -1.688 -0.393) 7.737 2.369 ( -4.475 -0.217 0.019) 4.480 2.392 ( -2.670 0.973 -0.008) 2.842 2.405 ( -7.856 2.787 0.249) 8.339 2.583 ( -30.136 0.252 -0.535) 30.141 2.653 ( -23.299 0.955 0.318) 23.320 2.859 ( 10.795 -0.188 -0.753) 10.823 2.904 ( 14.627 -2.165 -0.214) 14.788 2.976 ( 15.018 -3.227 -0.298) 15.363 3.109 ( 9.067 0.473 1.452) 9.194 4.649 ( 2.945 -0.668 0.157) 3.024 4.667 ( -3.748 -0.707 -0.511) 3.848 4.702 ( -4.102 -1.032 0.598) 4.272 4.710 ( -2.696 -0.749 -0.395) 2.826 4.746 ( -6.244 -1.225 -0.671) 6.398 4.865 ( -6.681 0.574 0.701) 6.742 6.048 ( 12.740 -0.091 -0.027) 12.740 6.054 ( 13.039 -0.272 -0.041) 13.042 6.692 ( -1.596 0.025 -0.134) 1.602 6.729 ( -1.427 0.319 0.166) 1.472 6.789 ( -0.747 -0.224 -0.071) 0.783 6.822 ( -0.514 0.115 0.054) 0.530 7.383 ( 3.945 -0.255 0.184) 3.958 7.398 ( 4.713 -0.559 -0.274) 4.754 8.034 ( -7.139 0.438 0.171) 7.154 8.039 ( -7.552 0.342 -0.095) 7.561 12.527 ( 0.010 0.005 0.098) 0.099 12.542 ( 0.595 0.223 0.089) 0.641 12.947 ( -1.593 -1.913 -0.072) 2.491 12.958 ( -1.657 -1.705 -0.889) 2.538 13.111 ( 0.602 0.906 0.144) 1.097 13.236 ( 0.401 4.848 -0.688) 4.913 13.262 ( 0.836 -0.733 1.269) 1.687 13.531 ( -2.809 -2.644 -0.565) 3.898 ======================= Grid point 250 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -1.263 -2.032 -0.133) 2.396 1.190 ( -3.205 2.376 2.236) 4.574 1.257 ( -5.027 2.373 0.319) 5.568 1.262 ( -2.682 1.553 -2.079) 3.732 1.507 ( -0.835 -0.236 -0.219) 0.895 1.643 ( -1.726 -0.930 0.351) 1.992 1.652 ( -1.099 -0.794 -0.140) 1.363 1.796 ( -2.428 -0.347 0.780) 2.573 1.801 ( -1.798 -0.299 -0.618) 1.924 1.879 ( -1.175 1.782 0.447) 2.181 2.009 ( -1.348 -1.597 1.133) 2.377 2.062 ( 7.145 -0.094 0.251) 7.150 2.091 ( 6.854 1.232 -1.921) 7.224 2.273 ( -3.796 4.178 0.101) 5.646 2.303 ( 6.518 -0.354 -0.430) 6.542 2.310 ( 6.092 2.493 0.157) 6.585 2.601 ( -0.537 0.477 1.873) 2.007 2.621 ( 2.708 -0.541 -1.229) 3.022 2.636 ( 12.658 -1.910 -1.315) 12.868 2.668 ( -8.578 1.840 0.142) 8.774 2.753 ( -0.312 -2.273 -0.254) 2.308 2.930 ( 8.708 0.828 0.870) 8.791 3.286 ( -41.188 -0.034 0.120) 41.188 3.301 ( -39.678 -0.565 -0.067) 39.683 4.515 ( 7.930 -0.864 -0.205) 7.980 4.579 ( 6.769 -0.121 0.149) 6.772 4.818 ( -7.067 -0.880 -0.123) 7.123 4.852 ( -7.098 -0.411 0.173) 7.112 4.859 ( -6.407 -0.678 -0.452) 6.459 4.983 ( -5.135 0.612 0.395) 5.187 5.749 ( 20.044 -0.172 -0.057) 20.045 5.755 ( 19.630 -0.144 -0.025) 19.631 6.725 ( -1.809 0.338 -0.113) 1.844 6.752 ( -0.409 0.599 -0.005) 0.725 6.808 ( -1.725 -0.355 0.170) 1.769 6.826 ( 0.128 -0.229 -0.055) 0.268 7.330 ( 2.157 -0.411 0.160) 2.202 7.339 ( 1.187 -0.366 -0.197) 1.257 8.147 ( -5.022 0.182 -0.061) 5.026 8.163 ( -5.610 0.306 0.027) 5.619 12.530 ( 0.786 0.231 0.045) 0.820 12.530 ( -0.014 0.292 0.001) 0.293 12.952 ( -0.974 -2.371 0.296) 2.580 12.962 ( -0.881 -1.809 -0.994) 2.244 13.123 ( 0.047 2.355 0.701) 2.457 13.237 ( 0.814 -0.717 2.063) 2.331 13.258 ( 0.559 2.737 -2.337) 3.642 13.542 ( -0.849 -2.217 -0.005) 2.374 ======================= Grid point 251 (107/171) ======================= q-point: (-0.10 -0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -7.506 -2.247 0.000) 7.835 1.215 ( -2.444 -1.100 0.000) 2.680 1.333 ( -3.517 -0.435 0.000) 3.544 1.426 ( -10.609 0.578 0.000) 10.625 1.504 ( 0.682 0.027 -0.000) 0.683 1.660 ( -0.850 -0.254 0.000) 0.887 1.702 ( -3.648 0.353 0.000) 3.665 1.795 ( 5.105 -1.708 -0.000) 5.384 1.816 ( -1.146 -0.396 0.000) 1.212 1.926 ( 0.803 4.881 -0.000) 4.947 1.959 ( 1.135 0.475 -0.000) 1.230 1.991 ( 5.780 1.842 -0.000) 6.067 1.998 ( 2.568 0.535 -0.000) 2.623 2.124 ( 9.170 -2.893 -0.000) 9.615 2.145 ( 12.267 1.457 -0.000) 12.353 2.338 ( -0.210 2.156 -0.000) 2.166 2.370 ( 9.355 -4.600 -0.000) 10.425 2.513 ( -0.974 -1.352 0.000) 1.666 2.631 ( 0.588 1.754 -0.000) 1.850 2.737 ( 7.403 2.218 -0.000) 7.728 2.903 ( -8.453 0.212 0.000) 8.456 2.912 ( -7.475 -0.794 0.000) 7.517 4.006 ( -36.454 -0.286 0.000) 36.455 4.008 ( -37.322 -0.110 0.000) 37.323 4.378 ( 5.685 -0.574 -0.000) 5.714 4.468 ( 4.694 0.180 -0.000) 4.698 4.914 ( -4.124 -0.708 0.000) 4.185 4.948 ( -3.683 -0.215 0.000) 3.689 4.949 ( -3.656 -0.115 0.000) 3.658 5.055 ( -2.227 0.398 0.000) 2.262 5.330 ( 25.438 -0.077 -0.000) 25.438 5.350 ( 24.496 0.087 -0.000) 24.496 6.752 ( 0.479 -0.007 -0.000) 0.479 6.756 ( -1.237 0.391 0.000) 1.297 6.815 ( 0.668 -0.391 -0.000) 0.774 6.844 ( -1.912 0.217 0.000) 1.925 7.304 ( 0.632 -0.246 -0.000) 0.678 7.330 ( -0.158 -0.127 0.000) 0.203 8.218 ( -2.746 -0.014 0.000) 2.746 8.241 ( -2.757 0.111 0.000) 2.759 12.512 ( 1.071 0.010 -0.000) 1.072 12.535 ( 0.023 0.323 -0.000) 0.324 12.957 ( -1.390 -1.719 0.000) 2.211 12.961 ( -0.424 -1.209 0.000) 1.281 13.133 ( 1.089 2.056 -0.000) 2.327 13.233 ( -1.005 -2.373 0.000) 2.577 13.257 ( 1.143 3.223 -0.000) 3.420 13.539 ( -0.483 -1.288 0.000) 1.376 ======================= Grid point 259 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 0.000 16.143 5.128) 16.938 0.734 ( 0.000 9.051 12.181) 15.175 0.799 ( -0.000 15.189 -3.784) 15.653 0.930 ( -0.000 10.665 -10.581) 15.023 1.190 ( 0.000 15.273 13.909) 20.657 1.406 ( 0.000 2.947 -9.373) 9.826 1.489 ( -0.000 0.218 0.614) 0.652 1.509 ( 0.000 3.789 -1.897) 4.237 1.719 ( 0.000 -1.313 1.857) 2.274 1.770 ( -0.000 -1.653 -3.517) 3.886 1.848 ( -0.000 -4.190 0.351) 4.204 1.852 ( 0.000 -3.530 -0.379) 3.550 2.110 ( 0.000 2.409 -0.722) 2.515 2.113 ( 0.000 3.156 -1.223) 3.384 2.127 ( 0.000 -6.280 1.230) 6.399 2.152 ( -0.000 -8.533 -1.103) 8.604 2.346 ( -0.000 -0.200 1.900) 1.911 2.355 ( 0.000 0.792 1.070) 1.331 2.584 ( 0.000 -0.333 3.454) 3.470 2.647 ( 0.000 -0.736 -4.127) 4.192 3.186 ( 0.000 -1.572 1.003) 1.864 3.195 ( -0.000 -1.295 -0.091) 1.299 3.313 ( -0.000 0.538 1.553) 1.644 3.349 ( 0.000 0.386 -2.737) 2.765 4.464 ( 0.000 -2.364 0.044) 2.365 4.466 ( -0.000 -2.485 -0.188) 2.492 4.594 ( 0.000 0.839 3.333) 3.437 4.651 ( -0.000 0.140 -3.218) 3.221 4.814 ( 0.000 -0.893 0.422) 0.987 4.824 ( -0.000 -1.394 -0.664) 1.544 6.265 ( 0.000 0.483 0.570) 0.747 6.274 ( -0.000 0.194 -0.475) 0.513 6.681 ( 0.000 -1.121 0.737) 1.342 6.691 ( -0.000 -1.108 -0.398) 1.178 6.780 ( 0.000 0.802 0.336) 0.869 6.788 ( -0.000 0.792 -0.635) 1.016 7.579 ( 0.000 1.281 0.430) 1.351 7.585 ( -0.000 0.964 -0.211) 0.986 7.789 ( -0.000 -0.520 0.006) 0.520 7.789 ( 0.000 -0.519 -0.018) 0.519 12.538 ( 0.000 0.009 0.639) 0.639 12.550 ( -0.000 -0.184 -0.763) 0.785 12.880 ( -0.000 0.930 1.635) 1.881 12.916 ( 0.000 0.714 -2.686) 2.780 13.138 ( -0.000 2.171 1.554) 2.670 13.167 ( -0.000 2.447 -1.722) 2.992 13.350 ( -0.000 -0.745 0.552) 0.927 13.362 ( 0.000 0.158 -0.824) 0.839 ======================= Grid point 260 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -4.769 8.905 8.505) 13.205 0.938 ( -5.149 9.458 -6.393) 12.524 1.054 ( -8.293 7.739 4.026) 12.036 1.157 ( -11.423 8.261 -4.486) 14.793 1.429 ( -11.226 10.193 1.568) 15.244 1.443 ( -4.326 3.594 -0.045) 5.624 1.561 ( -4.618 1.530 0.032) 4.865 1.610 ( -11.760 7.164 -0.842) 13.795 1.731 ( -1.471 -1.147 0.624) 1.967 1.755 ( -2.074 -3.161 0.711) 3.847 1.802 ( -5.505 -0.246 -1.773) 5.788 1.938 ( -3.774 -2.635 -0.855) 4.682 2.060 ( -6.074 -7.403 0.241) 9.579 2.156 ( -6.248 2.290 -0.343) 6.664 2.172 ( -5.757 -6.233 -0.061) 8.485 2.246 ( -9.478 1.993 -0.264) 9.689 2.324 ( 2.968 -0.815 0.757) 3.170 2.379 ( -1.071 1.768 0.520) 2.131 2.523 ( 7.068 -2.549 0.532) 7.533 2.541 ( 5.457 0.966 -0.655) 5.580 3.046 ( 9.344 -0.911 -0.220) 9.391 3.151 ( 9.538 -0.698 0.189) 9.566 3.238 ( 9.761 -1.359 0.319) 9.860 3.248 ( 6.563 -0.079 -0.313) 6.571 4.525 ( -7.599 -2.140 0.064) 7.895 4.535 ( -8.391 -1.542 -0.136) 8.532 4.641 ( -4.098 -0.497 0.571) 4.167 4.704 ( -3.912 0.698 -0.551) 4.012 4.785 ( 2.812 -0.837 -0.112) 2.936 4.789 ( 0.979 -1.050 0.039) 1.436 6.214 ( 5.912 0.174 0.058) 5.915 6.226 ( 5.818 -0.046 -0.033) 5.818 6.673 ( -0.459 -0.529 0.060) 0.703 6.704 ( -1.500 -0.714 0.031) 1.662 6.780 ( -0.009 0.506 -0.042) 0.508 6.807 ( -0.930 0.493 -0.028) 1.053 7.483 ( 6.913 0.166 -0.029) 6.915 7.509 ( 6.733 0.050 0.040) 6.733 7.889 ( -8.108 0.216 0.133) 8.112 7.892 ( -8.238 0.129 -0.068) 8.239 12.532 ( 0.454 -0.191 0.151) 0.516 12.547 ( 0.153 0.138 -0.118) 0.237 12.913 ( -2.372 -0.204 0.256) 2.395 12.934 ( -1.880 -0.647 -0.752) 2.125 13.129 ( 1.752 0.179 -0.145) 1.767 13.196 ( -0.719 4.094 -0.091) 4.158 13.292 ( 2.006 0.410 0.518) 2.112 13.464 ( -6.025 -1.505 -0.518) 6.232 ======================= Grid point 261 (110/171) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -3.350 3.595 0.000) 4.914 1.054 ( -6.556 4.756 0.000) 8.099 1.178 ( -1.293 4.729 0.000) 4.903 1.244 ( 1.911 7.017 -0.000) 7.272 1.483 ( -1.884 -0.916 0.000) 2.095 1.612 ( -3.138 -1.097 0.000) 3.325 1.667 ( 1.399 -2.202 -0.000) 2.608 1.715 ( -5.760 5.631 0.000) 8.055 1.759 ( -2.934 -0.449 0.000) 2.968 1.875 ( -0.937 -2.272 0.000) 2.457 1.957 ( -4.235 -0.465 0.000) 4.260 2.097 ( -13.039 5.605 0.000) 14.193 2.188 ( 0.709 -0.620 -0.000) 0.942 2.206 ( 4.341 -0.828 -0.000) 4.419 2.319 ( -8.268 -2.042 0.000) 8.516 2.368 ( -6.747 0.231 0.000) 6.751 2.391 ( -1.573 0.567 0.000) 1.672 2.407 ( -6.548 2.824 0.000) 7.131 2.581 ( -30.455 0.341 0.000) 30.457 2.654 ( -23.229 1.035 0.000) 23.252 2.856 ( 10.668 -0.290 -0.000) 10.672 2.903 ( 14.868 -2.130 -0.000) 15.020 2.974 ( 14.931 -3.313 -0.000) 15.294 3.115 ( 8.962 0.480 -0.000) 8.974 4.650 ( 4.719 -0.530 -0.000) 4.749 4.664 ( -5.911 -0.854 0.000) 5.972 4.706 ( 1.603 -0.705 -0.000) 1.751 4.707 ( -8.071 -1.054 0.000) 8.139 4.743 ( -6.142 -1.283 0.000) 6.275 4.868 ( -6.736 0.632 0.000) 6.765 6.048 ( 12.748 -0.104 -0.000) 12.748 6.054 ( 13.056 -0.265 -0.000) 13.059 6.691 ( -1.568 -0.001 0.000) 1.568 6.730 ( -1.421 0.334 0.000) 1.460 6.789 ( -0.806 -0.286 0.000) 0.856 6.823 ( -0.492 0.162 0.000) 0.518 7.384 ( 3.772 -0.323 -0.000) 3.786 7.397 ( 4.891 -0.484 -0.000) 4.915 8.035 ( -7.002 0.356 0.000) 7.011 8.038 ( -7.657 0.424 0.000) 7.669 12.527 ( 0.026 -0.006 -0.000) 0.026 12.542 ( 0.587 0.263 -0.000) 0.644 12.947 ( -1.915 -2.146 0.000) 2.876 12.953 ( -1.249 -1.460 0.000) 1.921 13.112 ( 0.313 0.943 -0.000) 0.994 13.233 ( 0.477 4.913 -0.000) 4.936 13.268 ( 1.004 -0.806 -0.000) 1.287 13.529 ( -2.910 -2.528 0.000) 3.855 ======================= Grid point 267 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 13.067 0.000 3.405) 13.504 1.310 ( 7.500 -0.000 -3.484) 8.270 1.428 ( 3.738 0.000 0.914) 3.848 1.462 ( 3.283 -0.000 -1.288) 3.526 1.547 ( -0.956 -0.000 -0.239) 0.985 1.568 ( 4.112 0.000 -0.805) 4.190 1.687 ( -1.570 0.000 4.722) 4.977 1.739 ( -4.353 0.000 1.463) 4.592 1.821 ( -0.242 0.000 0.943) 0.974 1.843 ( -2.708 0.000 2.189) 3.482 1.872 ( -5.087 -0.000 -0.086) 5.087 1.943 ( 1.694 -0.000 -3.781) 4.143 2.002 ( -1.159 0.000 0.453) 1.244 2.078 ( -10.303 -0.000 -1.932) 10.482 2.142 ( -2.992 0.000 1.733) 3.458 2.250 ( 0.180 -0.000 -4.066) 4.070 2.442 ( -5.112 0.000 4.310) 6.687 2.589 ( -2.848 -0.000 -3.515) 4.525 2.674 ( -6.253 -0.000 0.583) 6.280 2.699 ( -5.572 -0.000 -0.663) 5.611 2.839 ( 10.719 0.000 2.111) 10.925 2.873 ( 9.856 0.000 0.266) 9.860 4.005 ( 37.179 0.000 1.148) 37.197 4.050 ( 35.786 0.000 -1.094) 35.803 4.432 ( -6.531 -0.000 0.530) 6.552 4.467 ( -6.034 -0.000 -1.131) 6.139 4.937 ( 3.413 0.000 0.349) 3.431 4.948 ( 3.481 0.000 -0.228) 3.488 4.983 ( 2.419 0.000 1.145) 2.676 5.015 ( 3.742 0.000 -0.512) 3.777 5.337 ( -25.475 -0.000 0.145) 25.475 5.342 ( -25.577 -0.000 -0.087) 25.577 6.727 ( 1.003 0.000 0.337) 1.059 6.740 ( 1.347 -0.000 -0.324) 1.385 6.820 ( 0.165 0.000 1.201) 1.212 6.867 ( 0.118 -0.000 -1.217) 1.223 7.314 ( -0.645 0.000 0.865) 1.079 7.345 ( -1.070 -0.000 -0.765) 1.315 8.223 ( 3.630 0.000 0.130) 3.632 8.224 ( 2.916 0.000 0.100) 2.918 12.506 ( -0.276 0.000 0.760) 0.809 12.527 ( 0.173 -0.000 -0.301) 0.347 12.984 ( 0.196 0.000 2.071) 2.080 13.033 ( -1.892 0.000 1.040) 2.159 13.080 ( 0.959 -0.000 -1.461) 1.748 13.141 ( -0.354 -0.000 -3.804) 3.821 13.395 ( -0.195 0.000 5.146) 5.149 13.532 ( -0.909 -0.000 -2.601) 2.755 ======================= Grid point 271 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -0.000 15.065 -4.434) 15.705 0.761 ( -0.000 15.065 4.434) 15.705 0.837 ( 0.000 10.168 -11.369) 15.253 0.837 ( -0.000 10.168 11.369) 15.253 1.307 ( 0.000 10.046 -13.269) 16.643 1.307 ( -0.000 10.046 13.269) 16.643 1.497 ( -0.000 1.471 -1.113) 1.844 1.497 ( -0.000 1.471 1.113) 1.844 1.741 ( 0.000 -1.775 -3.084) 3.559 1.741 ( -0.000 -1.775 3.084) 3.559 1.851 ( -0.000 -4.146 -0.011) 4.146 1.851 ( 0.000 -4.146 0.011) 4.146 2.107 ( -0.000 3.038 -0.005) 3.038 2.107 ( 0.000 3.038 0.005) 3.038 2.140 ( 0.000 -7.600 -1.240) 7.700 2.140 ( 0.000 -7.600 1.240) 7.700 2.357 ( 0.000 0.442 -0.532) 0.691 2.357 ( -0.000 0.442 0.532) 0.691 2.614 ( 0.000 -0.586 -3.712) 3.758 2.614 ( -0.000 -0.586 3.712) 3.758 3.193 ( -0.000 -1.498 -0.135) 1.504 3.193 ( 0.000 -1.498 0.135) 1.504 3.328 ( 0.000 0.501 -2.046) 2.106 3.328 ( -0.000 0.501 2.046) 2.106 4.465 ( 0.000 -2.427 -0.121) 2.430 4.465 ( 0.000 -2.427 0.121) 2.430 4.623 ( 0.000 0.541 -3.381) 3.424 4.623 ( -0.000 0.541 3.381) 3.424 4.819 ( 0.000 -1.173 -0.598) 1.317 4.819 ( 0.000 -1.173 0.598) 1.317 6.270 ( -0.000 0.359 -0.550) 0.657 6.270 ( -0.000 0.359 0.550) 0.657 6.687 ( 0.000 -1.138 -0.464) 1.229 6.687 ( 0.000 -1.138 0.464) 1.229 6.784 ( -0.000 0.808 -0.401) 0.902 6.784 ( 0.000 0.808 0.401) 0.902 7.583 ( -0.000 1.158 -0.257) 1.187 7.583 ( -0.000 1.158 0.257) 1.187 7.789 ( 0.000 -0.518 -0.008) 0.518 7.789 ( 0.000 -0.518 0.008) 0.518 12.544 ( 0.000 -0.051 -0.720) 0.722 12.544 ( -0.000 -0.051 0.720) 0.722 12.896 ( 0.000 0.880 -2.111) 2.287 12.896 ( -0.000 0.880 2.111) 2.287 13.152 ( -0.000 2.269 -1.664) 2.814 13.152 ( -0.000 2.269 1.664) 2.814 13.355 ( -0.000 -0.243 -0.236) 0.339 13.355 ( 0.000 -0.243 0.236) 0.339 ======================= Grid point 278 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -5.103 -0.268 0.597) 5.145 1.341 ( -6.342 -0.306 -1.602) 6.548 1.404 ( -0.959 1.911 2.265) 3.115 1.434 ( -2.140 -1.400 3.693) 4.493 1.558 ( 2.527 -0.310 -3.360) 4.216 1.612 ( 0.083 -1.182 -5.626) 5.749 1.698 ( -2.307 0.670 3.935) 4.611 1.749 ( 2.235 0.425 1.690) 2.835 1.838 ( 3.255 1.365 -0.357) 3.547 1.872 ( 0.841 0.853 -1.125) 1.643 1.882 ( 0.354 -0.505 -1.897) 1.994 1.888 ( 4.332 -1.023 1.079) 4.580 1.961 ( 2.643 0.305 2.348) 3.548 2.030 ( 2.734 -0.903 -1.550) 3.271 2.134 ( 0.505 0.961 3.746) 3.900 2.244 ( 0.987 -0.963 -2.932) 3.240 2.413 ( -0.240 -0.737 5.298) 5.355 2.558 ( 1.255 -0.517 -4.768) 4.957 2.580 ( -3.082 2.263 0.547) 3.862 2.625 ( -2.424 -0.390 -1.120) 2.699 2.976 ( 2.071 0.332 0.730) 2.221 2.990 ( 1.684 -0.644 0.434) 1.854 4.354 ( -0.912 0.349 1.364) 1.678 4.388 ( -1.335 -0.234 -0.633) 1.496 4.487 ( 0.077 0.293 -0.251) 0.393 4.496 ( -1.854 -0.240 -0.597) 1.963 4.961 ( -0.043 0.400 0.020) 0.402 4.969 ( -0.243 -0.188 0.150) 0.342 4.974 ( -0.386 0.357 -0.026) 0.527 4.987 ( -0.801 -0.784 0.120) 1.127 5.017 ( 1.431 0.266 1.272) 1.933 5.053 ( 1.020 -0.100 -0.976) 1.415 6.747 ( 0.901 -0.098 0.471) 1.021 6.760 ( 0.882 -0.029 -0.435) 0.984 6.822 ( -0.493 0.044 1.117) 1.222 6.854 ( -0.872 0.104 -1.171) 1.464 7.309 ( -0.213 0.119 0.658) 0.702 7.329 ( -0.489 -0.125 -0.567) 0.759 8.252 ( 0.099 0.074 0.398) 0.416 8.261 ( 0.378 -0.046 -0.123) 0.401 12.511 ( 0.416 0.106 0.806) 0.913 12.529 ( 0.270 0.050 -0.392) 0.478 12.988 ( -0.611 0.543 1.490) 1.699 13.013 ( -1.358 -1.959 1.762) 2.964 13.088 ( 0.948 1.469 -1.484) 2.293 13.124 ( 0.066 -0.841 -3.129) 3.240 13.400 ( -0.376 2.533 4.188) 4.909 13.513 ( -0.661 -1.705 -2.010) 2.717 ======================= Grid point 279 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 10.650 0.000 3.525) 11.219 1.280 ( 7.501 -0.000 -3.639) 8.337 1.439 ( 6.927 0.000 1.272) 7.043 1.454 ( 7.116 0.000 -0.729) 7.153 1.547 ( -2.455 -0.000 0.150) 2.459 1.559 ( 0.790 0.000 -1.140) 1.386 1.719 ( -5.009 -0.000 2.918) 5.798 1.744 ( -6.416 0.000 -0.219) 6.419 1.838 ( 3.021 0.000 3.069) 4.306 1.861 ( -1.798 -0.000 1.683) 2.462 1.872 ( -3.939 0.000 -0.016) 3.939 1.908 ( 3.657 -0.000 -4.424) 5.740 2.012 ( -4.623 0.000 1.860) 4.983 2.058 ( -8.985 0.000 -2.843) 9.425 2.160 ( -2.026 0.000 2.586) 3.285 2.216 ( -0.044 -0.000 -3.866) 3.866 2.480 ( -4.511 -0.000 4.592) 6.437 2.556 ( -3.158 0.000 -4.206) 5.260 2.680 ( -6.155 0.000 0.767) 6.203 2.693 ( -5.789 -0.000 -0.749) 5.838 2.856 ( 10.136 0.000 1.710) 10.280 2.873 ( 9.752 -0.000 -0.317) 9.757 4.016 ( 36.987 0.000 1.369) 37.012 4.040 ( 36.285 -0.000 -1.343) 36.310 4.438 ( -6.491 -0.000 0.848) 6.546 4.456 ( -6.197 0.000 -1.209) 6.314 4.940 ( 3.431 -0.000 0.380) 3.452 4.946 ( 3.463 0.000 -0.306) 3.477 4.993 ( 2.711 0.000 1.141) 2.942 5.009 ( 3.412 -0.000 -0.754) 3.494 5.338 ( -25.498 0.000 0.154) 25.498 5.341 ( -25.551 0.000 -0.119) 25.551 6.730 ( 1.073 0.000 0.394) 1.143 6.737 ( 1.251 -0.000 -0.386) 1.309 6.831 ( 0.154 0.000 1.413) 1.421 6.856 ( 0.127 0.000 -1.422) 1.427 7.321 ( -0.737 -0.000 0.984) 1.229 7.338 ( -0.960 0.000 -0.922) 1.331 8.224 ( 3.490 0.000 0.088) 3.491 8.225 ( 3.115 -0.000 0.054) 3.115 12.512 ( -0.136 -0.000 0.764) 0.776 12.523 ( 0.099 0.000 -0.480) 0.490 13.003 ( 0.107 -0.000 2.362) 2.364 13.036 ( -1.234 0.000 -0.663) 1.401 13.074 ( 0.573 0.000 0.426) 0.713 13.111 ( -0.369 -0.000 -3.207) 3.228 13.437 ( -0.251 -0.000 4.735) 4.741 13.506 ( -0.627 0.000 -3.411) 3.468 ======================= Grid point 289 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -7.058 -1.847 2.071) 7.584 1.215 ( -6.206 -1.422 -1.362) 6.511 1.316 ( -6.265 2.031 -0.653) 6.618 1.396 ( -5.006 -2.740 0.267) 5.713 1.569 ( 1.519 1.888 0.956) 2.605 1.646 ( 1.796 -1.192 -1.354) 2.546 1.666 ( -1.365 0.743 3.309) 3.655 1.744 ( -2.303 0.449 -2.920) 3.746 1.795 ( -0.606 0.604 -2.758) 2.887 1.822 ( -0.579 -0.761 -0.997) 1.382 2.005 ( 3.404 2.115 1.536) 4.292 2.022 ( 3.233 1.148 0.294) 3.443 2.065 ( 7.174 1.119 1.233) 7.365 2.140 ( 12.116 0.118 -0.199) 12.118 2.209 ( 6.231 0.003 3.410) 7.103 2.273 ( 2.246 -1.085 -2.572) 3.583 2.492 ( 3.761 -0.619 4.054) 5.565 2.527 ( 1.035 0.509 0.464) 1.244 2.586 ( 2.695 0.181 -0.571) 2.761 2.649 ( 6.539 -0.728 -4.287) 7.852 2.901 ( -8.902 1.847 0.211) 9.094 2.939 ( -7.433 -0.332 0.470) 7.455 4.000 ( -37.170 0.282 -0.087) 37.171 4.012 ( -36.821 -0.651 0.041) 36.826 4.409 ( 5.451 -0.229 1.439) 5.642 4.440 ( 5.070 -0.391 -1.396) 5.273 4.929 ( -3.965 -0.170 0.478) 3.998 4.942 ( -3.841 -0.425 -0.271) 3.874 4.982 ( -2.979 0.247 1.655) 3.417 5.018 ( -2.775 0.038 -1.754) 3.283 5.341 ( 25.007 0.052 0.437) 25.011 5.347 ( 24.760 0.087 -0.238) 24.762 6.759 ( 0.025 0.442 0.257) 0.512 6.765 ( -0.166 0.172 0.117) 0.267 6.810 ( -0.878 0.391 -0.068) 0.963 6.833 ( -0.952 -0.796 -0.306) 1.278 7.309 ( 0.261 0.300 0.157) 0.428 7.327 ( 0.237 -0.608 -0.098) 0.660 8.229 ( -2.765 0.130 0.485) 2.810 8.237 ( -2.828 0.149 -0.316) 2.849 12.521 ( 0.547 0.466 0.282) 0.772 12.531 ( 0.138 0.106 -0.139) 0.223 12.975 ( -0.955 -0.307 0.857) 1.319 13.017 ( -1.518 -2.908 1.486) 3.601 13.082 ( 0.984 2.178 -1.178) 2.665 13.133 ( 1.231 -0.894 -1.986) 2.501 13.379 ( -0.696 4.111 2.175) 4.703 13.518 ( -0.135 -2.987 -0.776) 3.089 ======================= Grid point 290 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -4.403 -0.130 1.498) 4.653 1.321 ( -4.209 -0.253 -2.353) 4.829 1.425 ( -3.871 2.450 1.808) 4.925 1.465 ( -4.272 -2.465 2.945) 5.744 1.533 ( 2.157 1.345 -2.302) 3.430 1.573 ( 2.086 -2.545 -2.927) 4.404 1.728 ( 1.186 1.472 2.820) 3.395 1.754 ( 1.447 0.224 -0.405) 1.519 1.836 ( -0.855 0.694 -0.105) 1.106 1.847 ( -3.988 -0.152 -2.097) 4.508 1.885 ( 5.768 0.531 0.392) 5.806 1.896 ( 2.801 -0.850 0.426) 2.958 1.981 ( 4.456 0.675 2.162) 4.999 2.014 ( 3.186 -1.432 -1.856) 3.955 2.164 ( 0.990 2.207 2.865) 3.750 2.219 ( 1.320 -1.923 -2.574) 3.473 2.460 ( 0.257 -0.223 5.372) 5.382 2.514 ( 1.063 -1.207 -5.146) 5.391 2.585 ( -3.307 3.001 0.308) 4.476 2.618 ( -2.795 -1.100 -0.500) 3.045 2.980 ( 1.769 0.589 0.297) 1.888 2.992 ( 1.904 -0.804 0.143) 2.072 4.364 ( -1.132 0.829 0.898) 1.666 4.382 ( -1.131 -0.652 -0.618) 1.444 4.485 ( -1.035 0.340 -0.036) 1.090 4.492 ( -0.616 -0.360 -0.289) 0.770 4.961 ( 0.012 0.490 -0.012) 0.491 4.970 ( 0.128 -0.452 0.036) 0.471 4.974 ( -0.677 0.664 0.034) 0.949 4.988 ( -0.935 -0.982 0.041) 1.357 5.027 ( 1.361 0.812 0.922) 1.833 5.045 ( 1.029 -0.534 -0.809) 1.413 6.751 ( 0.928 -0.069 0.516) 1.064 6.756 ( 0.914 -0.050 -0.505) 1.045 6.831 ( -0.710 0.214 1.148) 1.367 6.844 ( -0.711 -0.076 -1.167) 1.368 7.315 ( -0.348 0.352 0.492) 0.698 7.324 ( -0.355 -0.350 -0.457) 0.677 8.255 ( 0.249 0.188 0.250) 0.400 8.259 ( 0.244 -0.137 -0.145) 0.315 12.518 ( 0.335 0.290 0.605) 0.750 12.525 ( 0.329 -0.100 -0.447) 0.564 12.999 ( -0.911 0.915 0.736) 1.486 13.025 ( -1.048 -2.534 0.851) 2.872 13.079 ( 0.532 1.776 -0.490) 1.918 13.103 ( 0.527 -0.930 -1.539) 1.874 13.428 ( -0.465 4.016 2.134) 4.572 13.497 ( -0.544 -3.133 -1.380) 3.466 ======================= Grid point 291 (117/171) ======================= q-point: ( 0.50 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 8.596 -0.086 -0.000) 8.597 1.249 ( 8.596 0.086 -0.000) 8.597 1.448 ( 8.571 -0.702 -0.000) 8.599 1.448 ( 8.571 0.702 -0.000) 8.599 1.551 ( -1.949 -2.165 0.000) 2.912 1.551 ( -1.949 2.165 0.000) 2.912 1.737 ( -6.846 -0.016 0.000) 6.846 1.737 ( -6.846 0.016 0.000) 6.846 1.869 ( -0.377 -0.295 0.000) 0.479 1.869 ( -0.377 0.295 0.000) 0.479 1.871 ( 2.335 -0.083 -0.000) 2.336 1.871 ( 2.335 0.083 -0.000) 2.336 2.033 ( -7.229 -0.692 0.000) 7.263 2.033 ( -7.229 0.692 0.000) 7.263 2.185 ( -0.896 -0.164 0.000) 0.911 2.185 ( -0.896 0.164 0.000) 0.911 2.519 ( -3.788 -0.002 0.000) 3.788 2.519 ( -3.788 0.002 0.000) 3.788 2.686 ( -5.991 -0.609 0.000) 6.022 2.686 ( -5.991 0.609 0.000) 6.022 2.868 ( 9.828 -0.622 -0.000) 9.848 2.868 ( 9.828 0.622 -0.000) 9.848 4.028 ( 36.693 -0.008 -0.000) 36.693 4.028 ( 36.693 0.008 -0.000) 36.693 4.447 ( -6.366 -0.463 0.000) 6.383 4.447 ( -6.366 0.463 0.000) 6.383 4.943 ( 3.447 -0.157 -0.000) 3.451 4.943 ( 3.447 0.157 -0.000) 3.451 5.002 ( 3.055 -0.814 -0.000) 3.161 5.002 ( 3.055 0.814 -0.000) 3.161 5.340 ( -25.524 -0.143 0.000) 25.524 5.340 ( -25.524 0.143 0.000) 25.524 6.733 ( 1.157 -0.059 -0.000) 1.159 6.733 ( 1.157 0.059 -0.000) 1.159 6.843 ( 0.140 -0.001 0.000) 0.140 6.843 ( 0.140 0.001 0.000) 0.140 7.330 ( -0.845 -0.078 0.000) 0.849 7.330 ( -0.845 0.078 0.000) 0.849 8.225 ( 3.314 -0.291 -0.000) 3.327 8.225 ( 3.314 0.291 -0.000) 3.327 12.518 ( -0.006 -0.032 0.000) 0.032 12.518 ( -0.006 0.032 0.000) 0.032 13.022 ( -0.237 -0.618 0.000) 0.662 13.022 ( -0.237 0.618 0.000) 0.662 13.087 ( -0.191 -0.231 0.000) 0.300 13.087 ( -0.191 0.231 0.000) 0.300 13.474 ( -0.397 -2.640 0.000) 2.669 13.474 ( -0.397 2.640 0.000) 2.669 ======================= Grid point 300 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -7.446 5.274 -0.135) 9.126 1.099 ( -3.800 1.832 -0.401) 4.238 1.213 ( -1.791 -1.614 -0.673) 2.503 1.356 ( -1.844 -4.024 0.765) 4.492 1.552 ( -2.552 2.390 1.986) 4.021 1.625 ( -3.863 0.314 -2.004) 4.364 1.667 ( 0.929 1.696 0.613) 2.029 1.712 ( 0.790 -0.586 -0.395) 1.060 1.810 ( 2.277 -0.529 -1.175) 2.616 1.837 ( 0.931 -2.279 -0.069) 2.463 2.009 ( -1.627 0.765 1.009) 2.062 2.037 ( 0.669 -0.189 -0.792) 1.054 2.202 ( 7.229 2.533 1.610) 7.827 2.265 ( 2.836 2.241 -0.830) 3.709 2.278 ( 0.410 2.375 -0.141) 2.415 2.339 ( 2.416 -1.232 0.344) 2.733 2.558 ( 2.135 -1.081 -0.249) 2.406 2.647 ( 0.693 -1.063 -0.195) 1.284 2.665 ( -2.179 3.333 0.545) 4.020 2.748 ( 8.516 -0.461 3.371) 9.171 2.767 ( 3.591 -0.609 -0.421) 3.666 2.819 ( 4.155 0.240 -3.101) 5.190 3.279 ( -40.641 0.348 -0.073) 40.643 3.304 ( -40.542 -1.296 0.020) 40.563 4.542 ( 7.567 -0.455 0.756) 7.619 4.557 ( 7.093 -0.882 -0.704) 7.182 4.831 ( -7.140 -0.287 0.214) 7.149 4.845 ( -7.189 -0.633 -0.133) 7.218 4.909 ( -5.705 -0.077 2.213) 6.120 4.929 ( -5.704 0.134 -2.283) 6.145 5.754 ( 19.778 0.000 0.060) 19.778 5.756 ( 19.821 -0.158 0.020) 19.822 6.741 ( -1.688 0.608 0.643) 1.906 6.746 ( -1.286 0.675 -0.536) 1.549 6.797 ( -0.133 0.234 -0.105) 0.289 6.827 ( -0.693 -1.092 0.002) 1.294 7.323 ( 1.743 0.206 -0.048) 1.756 7.349 ( 1.682 -0.928 0.086) 1.923 8.153 ( -5.538 0.442 0.151) 5.558 8.159 ( -5.353 0.187 -0.117) 5.358 12.527 ( 0.534 0.374 -0.024) 0.652 12.529 ( -0.193 0.218 -0.018) 0.292 12.970 ( -0.683 -1.500 0.529) 1.731 13.002 ( -2.403 -1.882 0.003) 3.052 13.096 ( 1.890 0.474 0.454) 2.001 13.158 ( 1.704 -0.149 -1.323) 2.163 13.332 ( -1.541 4.547 0.657) 4.846 13.540 ( -0.130 -3.515 -0.048) 3.518 ======================= Grid point 301 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -6.912 -1.320 0.000) 7.037 1.206 ( -6.477 -2.152 0.000) 6.825 1.313 ( -6.726 2.501 0.000) 7.176 1.398 ( -5.056 -3.027 0.000) 5.893 1.573 ( 3.119 2.151 -0.000) 3.789 1.639 ( 1.809 -1.447 -0.000) 2.316 1.704 ( -3.250 0.690 0.000) 3.323 1.706 ( -1.549 0.866 0.000) 1.774 1.787 ( -0.835 0.564 0.000) 1.008 1.817 ( -0.202 -0.952 0.000) 0.973 2.012 ( 4.115 2.392 -0.000) 4.760 2.023 ( 2.278 0.785 -0.000) 2.410 2.070 ( 7.316 0.926 -0.000) 7.374 2.139 ( 12.341 0.247 -0.000) 12.344 2.230 ( 6.589 1.532 -0.000) 6.765 2.256 ( 1.637 -2.662 -0.000) 3.126 2.511 ( 1.763 -0.133 -0.000) 1.768 2.528 ( 0.910 1.475 -0.000) 1.733 2.587 ( 6.757 -0.750 -0.000) 6.799 2.625 ( 4.501 -1.193 -0.000) 4.656 2.902 ( -8.875 1.968 0.000) 9.090 2.941 ( -7.438 -0.297 0.000) 7.444 3.999 ( -37.207 0.308 0.000) 37.208 4.013 ( -36.803 -0.674 0.000) 36.809 4.417 ( 5.358 0.135 -0.000) 5.360 4.431 ( 5.175 -0.779 -0.000) 5.233 4.932 ( -3.917 -0.014 0.000) 3.917 4.941 ( -3.882 -0.556 0.000) 3.921 4.992 ( -2.604 0.660 0.000) 2.687 5.007 ( -3.149 -0.364 0.000) 3.170 5.344 ( 24.826 0.111 -0.000) 24.826 5.345 ( 24.928 0.041 -0.000) 24.928 6.760 ( -0.080 0.517 -0.000) 0.524 6.765 ( 0.062 0.114 -0.000) 0.130 6.810 ( -1.184 0.554 0.000) 1.307 6.832 ( -0.766 -0.977 0.000) 1.241 7.310 ( 0.200 0.395 -0.000) 0.442 7.327 ( 0.301 -0.696 -0.000) 0.758 8.232 ( -2.659 0.190 0.000) 2.666 8.234 ( -2.943 0.107 0.000) 2.945 12.522 ( 0.455 0.586 -0.000) 0.742 12.531 ( 0.186 0.011 -0.000) 0.186 12.979 ( -0.953 -0.245 0.000) 0.984 13.024 ( -1.843 -2.984 0.000) 3.507 13.077 ( 1.213 1.922 -0.000) 2.273 13.124 ( 1.343 -0.619 -0.000) 1.479 13.388 ( -0.786 4.562 -0.000) 4.630 13.514 ( -0.065 -3.392 0.000) 3.393 ======================= Grid point 310 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -8.799 11.203 0.000) 14.245 1.004 ( -3.612 8.403 0.000) 9.146 1.214 ( 0.193 2.564 -0.000) 2.571 1.394 ( 1.467 -5.517 -0.000) 5.709 1.479 ( -3.274 3.675 0.000) 4.922 1.525 ( -6.148 1.075 0.000) 6.241 1.677 ( 2.026 2.246 -0.000) 3.025 1.736 ( 0.522 -0.776 -0.000) 0.935 1.822 ( -2.958 -0.803 0.000) 3.065 1.854 ( -5.994 -0.012 0.000) 5.994 1.930 ( -3.052 1.348 0.000) 3.336 2.065 ( 0.243 -4.145 0.000) 4.152 2.206 ( -7.145 2.231 0.000) 7.486 2.214 ( -9.399 1.856 0.000) 9.581 2.343 ( 7.469 -0.730 -0.000) 7.504 2.350 ( -1.045 -1.287 0.000) 1.658 2.361 ( -12.860 3.359 0.000) 13.292 2.438 ( -10.393 1.696 0.000) 10.530 2.612 ( -27.712 -0.742 0.000) 27.722 2.623 ( -23.815 1.015 0.000) 23.837 2.909 ( 11.345 -2.201 -0.000) 11.556 2.922 ( 13.486 -0.873 -0.000) 13.514 2.985 ( 11.518 0.605 -0.000) 11.534 3.026 ( 13.229 -1.513 -0.000) 13.315 4.651 ( -3.537 -1.006 0.000) 3.678 4.668 ( 3.340 -0.807 -0.000) 3.436 4.701 ( -7.324 -0.610 0.000) 7.349 4.718 ( 0.311 -1.097 -0.000) 1.140 4.785 ( -7.633 0.247 0.000) 7.637 4.821 ( -5.547 -0.634 0.000) 5.584 6.049 ( 12.711 -0.006 -0.000) 12.711 6.055 ( 12.824 -0.306 -0.000) 12.827 6.700 ( -2.089 0.389 0.000) 2.125 6.720 ( -1.214 0.073 0.000) 1.216 6.792 ( -0.171 0.484 0.000) 0.513 6.820 ( -0.788 -0.453 0.000) 0.909 7.378 ( 4.606 0.086 -0.000) 4.607 7.407 ( 4.013 -0.959 -0.000) 4.126 8.030 ( -7.468 0.679 0.000) 7.499 8.040 ( -7.543 0.109 0.000) 7.543 12.524 ( -0.150 0.127 0.000) 0.197 12.538 ( 0.679 -0.181 -0.000) 0.703 12.963 ( -3.096 -1.090 0.000) 3.282 12.975 ( -0.476 -2.295 0.000) 2.344 13.143 ( 2.978 -0.955 -0.000) 3.128 13.179 ( 0.850 0.651 -0.000) 1.070 13.265 ( -1.918 4.645 0.000) 5.025 13.553 ( -1.890 -3.779 0.000) 4.225 ======================= Grid point 320 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -0.000 15.476 -0.000) 15.476 0.875 ( -0.000 16.712 -0.000) 16.712 1.089 ( -0.000 12.683 -0.000) 12.683 1.222 ( -0.000 22.328 -0.000) 22.328 1.371 ( -0.000 13.206 -0.000) 13.206 1.410 ( 0.000 -5.236 0.000) 5.236 1.451 ( 0.000 -4.014 0.000) 4.014 1.454 ( 0.000 -3.738 0.000) 3.738 1.741 ( -0.000 0.629 -0.000) 0.629 1.795 ( -0.000 1.038 -0.000) 1.038 1.824 ( 0.000 -5.458 0.000) 5.458 1.956 ( 0.000 -7.184 0.000) 7.184 1.962 ( 0.000 -3.940 0.000) 3.940 2.134 ( -0.000 0.179 -0.000) 0.179 2.159 ( 0.000 -4.835 0.000) 4.835 2.168 ( -0.000 0.660 -0.000) 0.660 2.246 ( -0.000 3.828 -0.000) 3.828 2.291 ( -0.000 0.694 -0.000) 0.694 2.507 ( 0.000 -0.578 0.000) 0.578 2.696 ( 0.000 -5.293 0.000) 5.293 3.146 ( -0.000 0.310 -0.000) 0.310 3.182 ( 0.000 -0.743 0.000) 0.743 3.298 ( -0.000 0.895 -0.000) 0.895 3.402 ( 0.000 -2.379 0.000) 2.379 4.430 ( 0.000 -2.337 0.000) 2.337 4.432 ( 0.000 -2.543 0.000) 2.543 4.549 ( -0.000 1.810 -0.000) 1.810 4.689 ( 0.000 -1.936 0.000) 1.936 4.810 ( 0.000 -0.337 0.000) 0.337 4.816 ( 0.000 -1.248 0.000) 1.248 6.262 ( -0.000 0.491 -0.000) 0.491 6.274 ( 0.000 -0.212 0.000) 0.212 6.655 ( 0.000 -0.112 0.000) 0.112 6.681 ( 0.000 -1.005 0.000) 1.005 6.788 ( -0.000 0.858 -0.000) 0.858 6.811 ( -0.000 0.116 -0.000) 0.116 7.587 ( -0.000 0.588 -0.000) 0.588 7.589 ( -0.000 1.029 -0.000) 1.029 7.781 ( 0.000 -0.533 0.000) 0.533 7.781 ( 0.000 -0.543 0.000) 0.543 12.525 ( 0.000 -0.001 0.000) 0.001 12.555 ( 0.000 -0.852 0.000) 0.852 12.867 ( -0.000 0.953 -0.000) 0.953 12.965 ( 0.000 -2.433 0.000) 2.433 13.149 ( -0.000 2.800 -0.000) 2.800 13.256 ( -0.000 3.584 -0.000) 3.584 13.303 ( 0.000 -2.522 0.000) 2.522 13.386 ( 0.000 -0.556 0.000) 0.556 ======================= Grid point 321 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -6.105 13.138 1.260) 14.542 1.058 ( -2.246 13.907 1.133) 14.133 1.264 ( -1.141 8.647 -0.684) 8.749 1.344 ( -1.075 -8.706 -2.015) 9.000 1.435 ( -3.859 5.988 -1.897) 7.372 1.476 ( -3.493 4.628 3.894) 6.984 1.593 ( -19.107 2.717 0.638) 19.310 1.636 ( -19.034 8.647 0.404) 20.910 1.732 ( 1.440 -0.313 -1.591) 2.169 1.743 ( 1.406 0.623 1.011) 1.840 1.899 ( -5.487 -6.563 -1.048) 8.619 1.920 ( -5.283 -5.795 -0.897) 7.893 1.932 ( -3.776 -3.928 0.348) 5.460 2.105 ( -1.111 -2.736 0.464) 2.989 2.222 ( -8.020 -0.385 -0.961) 8.086 2.270 ( -7.193 0.595 -0.675) 7.249 2.290 ( -2.919 2.144 1.530) 3.932 2.309 ( -1.383 0.603 0.940) 1.777 2.493 ( 0.332 -0.175 -0.116) 0.393 2.565 ( 7.658 -1.754 -0.296) 7.862 3.079 ( 7.351 -0.100 -1.032) 7.424 3.116 ( 7.349 -1.133 0.652) 7.464 3.200 ( 10.325 0.596 0.432) 10.351 3.254 ( 12.144 -1.841 -0.218) 12.284 4.497 ( -8.117 -1.389 -0.032) 8.235 4.513 ( -9.054 -1.895 0.016) 9.251 4.627 ( -6.200 1.329 0.047) 6.341 4.715 ( -4.057 -1.895 0.118) 4.479 4.776 ( 3.226 -0.444 -0.439) 3.286 4.780 ( 2.839 -0.596 0.272) 2.913 6.215 ( 5.762 0.170 -0.006) 5.764 6.221 ( 5.891 -0.220 0.054) 5.895 6.668 ( -1.444 0.103 -0.019) 1.448 6.690 ( -1.495 -0.803 0.059) 1.698 6.795 ( -0.060 0.716 -0.096) 0.725 6.812 ( -0.090 0.047 0.024) 0.104 7.490 ( 7.311 0.225 -0.085) 7.315 7.501 ( 6.748 -0.184 0.116) 6.751 7.887 ( -8.434 0.207 0.038) 8.437 7.890 ( -8.681 -0.069 0.050) 8.682 12.524 ( 0.111 0.125 0.064) 0.179 12.544 ( 0.401 -0.640 0.067) 0.758 12.901 ( -2.531 -0.062 0.051) 2.532 12.950 ( -0.381 -2.198 -0.238) 2.243 13.179 ( -0.141 1.440 -1.576) 2.139 13.217 ( 3.831 0.072 1.650) 4.172 13.282 ( -0.167 4.147 0.090) 4.152 13.457 ( -4.999 -3.532 -0.279) 6.128 ======================= Grid point 322 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -6.112 9.743 0.805) 11.529 1.130 ( 2.464 6.891 1.536) 7.477 1.234 ( 3.250 -0.596 -0.891) 3.422 1.297 ( 0.462 -5.768 0.685) 5.827 1.507 ( -2.834 2.845 -3.208) 5.140 1.584 ( -3.110 2.248 5.145) 6.419 1.693 ( 0.751 -0.736 -2.839) 3.027 1.710 ( 1.440 0.190 -0.907) 1.712 1.824 ( -0.035 -2.198 0.206) 2.208 1.838 ( -1.623 1.353 1.374) 2.520 1.940 ( -5.304 -0.080 -1.955) 5.653 2.016 ( -4.598 -3.795 3.138) 6.738 2.233 ( -7.842 1.205 -1.022) 7.999 2.248 ( -9.040 3.736 -1.019) 9.834 2.308 ( -2.570 -2.748 -0.335) 3.777 2.340 ( -1.788 -0.631 1.000) 2.143 2.414 ( -11.834 2.921 0.402) 12.196 2.453 ( -10.876 0.715 -0.625) 10.917 2.609 ( -24.899 0.468 -0.944) 24.921 2.638 ( -22.929 0.183 1.347) 22.969 2.880 ( 12.971 -1.230 -0.383) 13.035 2.895 ( 14.010 -1.515 -1.077) 14.133 2.973 ( 13.512 -0.474 -2.754) 13.798 3.037 ( 10.922 0.072 3.935) 11.610 4.640 ( -2.237 -0.286 -0.255) 2.270 4.659 ( 0.386 -0.679 0.692) 1.043 4.689 ( -5.088 -0.527 -0.777) 5.174 4.704 ( -1.243 -0.774 0.216) 1.480 4.776 ( -6.798 -0.028 -2.297) 7.175 4.825 ( -6.561 -0.238 2.356) 6.975 6.049 ( 12.778 -0.010 -0.059) 12.778 6.051 ( 12.837 -0.199 -0.030) 12.839 6.703 ( -2.195 0.266 -0.519) 2.271 6.720 ( -2.078 -0.158 0.529) 2.150 6.798 ( 0.018 0.354 -0.438) 0.564 6.815 ( -0.181 -0.249 0.382) 0.490 7.380 ( 4.543 0.219 -0.008) 4.548 7.394 ( 4.350 -0.690 -0.076) 4.405 8.038 ( -7.507 0.361 0.024) 7.515 8.042 ( -7.626 0.076 0.042) 7.626 12.526 ( -0.206 0.191 -0.044) 0.285 12.536 ( 0.243 -0.145 0.297) 0.411 12.937 ( -1.615 -1.323 -0.895) 2.271 12.949 ( -1.482 -1.322 0.200) 1.996 13.140 ( 2.205 1.070 -1.469) 2.857 13.195 ( 1.885 -0.220 2.587) 3.209 13.336 ( -1.578 5.137 -0.710) 5.421 13.489 ( -2.281 -4.508 -0.125) 5.054 ======================= Grid point 323 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.421 0.069 -2.549) 2.585 1.174 ( 0.701 2.188 3.264) 3.991 1.231 ( -5.156 2.592 1.638) 5.999 1.288 ( -4.015 -4.081 -0.429) 5.741 1.556 ( -2.087 1.125 -3.243) 4.017 1.657 ( -0.433 1.062 1.179) 1.645 1.668 ( 1.032 0.065 -1.716) 2.003 1.699 ( -2.916 -1.310 1.460) 3.515 1.804 ( -0.028 -1.052 0.495) 1.163 1.846 ( 2.020 0.562 4.374) 4.851 1.999 ( -2.204 0.044 -2.410) 3.267 2.044 ( -0.067 -0.088 0.967) 0.973 2.204 ( 4.893 1.009 -4.134) 6.484 2.293 ( 4.720 -0.021 1.095) 4.846 2.315 ( -0.012 1.380 1.064) 1.743 2.322 ( 3.488 -0.036 -0.011) 3.489 2.561 ( 6.610 0.857 -0.101) 6.666 2.609 ( 6.066 -2.855 0.618) 6.733 2.700 ( 1.981 2.037 -2.086) 3.525 2.721 ( -0.839 0.278 -2.401) 2.559 2.753 ( -5.701 -0.658 -1.523) 5.938 2.857 ( 9.532 0.053 4.823) 10.683 3.284 ( -40.805 0.257 0.082) 40.806 3.291 ( -40.539 -0.475 0.173) 40.542 4.526 ( 7.615 -0.257 -1.197) 7.713 4.559 ( 6.985 -0.179 1.181) 7.086 4.823 ( -7.257 -0.192 -0.746) 7.297 4.840 ( -7.271 -0.238 0.466) 7.289 4.888 ( -6.191 -0.132 -2.250) 6.589 4.951 ( -5.543 0.109 2.338) 6.017 5.752 ( 19.842 -0.026 -0.221) 19.844 5.755 ( 19.610 -0.050 -0.042) 19.610 6.741 ( -1.936 0.200 -0.745) 2.084 6.757 ( -1.107 0.253 0.335) 1.184 6.802 ( -0.746 0.212 -0.017) 0.776 6.816 ( -0.007 -0.514 0.396) 0.649 7.327 ( 1.796 0.305 -0.082) 1.824 7.336 ( 1.520 -0.577 -0.033) 1.626 8.155 ( -5.230 0.111 -0.356) 5.243 8.163 ( -5.513 0.107 0.217) 5.518 12.532 ( 0.405 0.137 0.026) 0.428 12.532 ( -0.210 0.130 0.060) 0.254 12.947 ( -1.256 -0.526 -1.296) 1.880 12.969 ( -1.405 -1.270 -0.641) 1.999 13.121 ( 0.961 1.677 0.779) 2.084 13.162 ( 2.068 -1.063 2.149) 3.166 13.384 ( -0.586 3.499 -3.002) 4.648 13.490 ( -1.133 -3.060 1.286) 3.507 ======================= Grid point 324 (125/171) ======================= q-point: ( 0.70 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -7.407 -0.000 -2.138) 7.710 1.215 ( -4.682 -0.000 0.806) 4.751 1.335 ( -4.299 -0.000 -0.732) 4.361 1.377 ( -5.828 0.000 1.757) 6.087 1.570 ( -1.882 -0.000 -2.880) 3.440 1.649 ( 2.345 0.000 1.812) 2.964 1.657 ( -0.517 -0.000 0.060) 0.521 1.755 ( -0.242 0.000 0.322) 0.403 1.822 ( -1.913 0.000 0.814) 2.079 1.843 ( -1.045 0.000 5.849) 5.942 2.000 ( 1.688 -0.000 -2.254) 2.816 2.031 ( 2.352 -0.000 -0.542) 2.413 2.096 ( 13.488 0.000 -1.092) 13.533 2.100 ( 6.570 -0.000 -2.000) 6.868 2.181 ( 8.682 -0.000 -2.533) 9.044 2.292 ( 3.079 0.000 2.489) 3.960 2.441 ( 6.840 -0.000 -5.544) 8.804 2.516 ( -2.561 -0.000 -0.969) 2.738 2.610 ( 0.595 0.000 2.019) 2.105 2.686 ( 8.399 0.000 5.007) 9.778 2.919 ( -7.901 -0.000 -0.821) 7.943 2.921 ( -7.987 -0.000 -0.806) 8.027 4.004 ( -36.719 -0.000 -0.029) 36.719 4.006 ( -37.284 -0.000 0.091) 37.284 4.394 ( 5.481 -0.000 -1.438) 5.666 4.450 ( 4.806 0.000 1.439) 5.017 4.922 ( -4.077 -0.000 -0.798) 4.154 4.942 ( -3.808 -0.000 0.354) 3.824 4.968 ( -3.385 -0.000 -1.565) 3.730 5.034 ( -2.445 0.000 1.739) 3.000 5.337 ( 25.110 0.000 -0.505) 25.115 5.349 ( 24.581 0.000 0.140) 24.581 6.758 ( 0.559 -0.000 -0.417) 0.697 6.765 ( -0.708 -0.000 -0.242) 0.748 6.812 ( 0.018 -0.000 -0.160) 0.161 6.834 ( -1.791 0.000 0.818) 1.969 7.308 ( 0.425 -0.000 -0.468) 0.632 7.324 ( -0.049 0.000 0.353) 0.356 8.226 ( -2.737 -0.000 -0.530) 2.787 8.240 ( -2.747 -0.000 0.202) 2.755 12.520 ( 0.763 -0.000 -0.525) 0.926 12.535 ( 0.105 0.000 0.226) 0.249 12.967 ( -1.656 -0.000 -1.544) 2.264 12.977 ( -0.629 -0.000 -1.464) 1.594 13.127 ( 1.809 0.000 1.680) 2.469 13.132 ( -0.050 0.000 2.973) 2.973 13.384 ( -0.179 -0.000 -4.743) 4.747 13.503 ( -0.714 0.000 2.009) 2.132 ======================= Grid point 332 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.000 14.692 4.409) 15.340 0.881 ( -0.000 16.605 1.392) 16.663 1.082 ( -0.000 13.123 -1.610) 13.221 1.243 ( -0.000 21.635 4.728) 22.146 1.320 ( 0.000 7.429 -8.990) 11.662 1.414 ( 0.000 -3.082 0.776) 3.179 1.452 ( 0.000 -3.812 0.268) 3.822 1.496 ( -0.000 0.445 6.972) 6.987 1.736 ( 0.000 0.341 -1.175) 1.224 1.795 ( -0.000 0.586 -0.237) 0.632 1.823 ( 0.000 -5.201 -0.204) 5.205 1.906 ( 0.000 -3.746 -6.629) 7.614 1.997 ( 0.000 -7.341 3.297) 8.047 2.124 ( 0.000 -1.878 -3.141) 3.660 2.148 ( 0.000 -1.099 -1.088) 1.547 2.170 ( -0.000 1.053 0.343) 1.107 2.264 ( -0.000 2.302 3.518) 4.204 2.299 ( -0.000 0.558 1.852) 1.934 2.510 ( -0.000 -0.846 0.882) 1.222 2.689 ( 0.000 -5.131 -1.655) 5.392 3.148 ( -0.000 0.155 0.515) 0.538 3.182 ( 0.000 -0.783 -0.108) 0.791 3.299 ( -0.000 0.860 0.320) 0.918 3.397 ( 0.000 -2.167 -1.142) 2.449 4.429 ( 0.000 -2.337 -0.045) 2.338 4.432 ( 0.000 -2.535 -0.088) 2.537 4.554 ( -0.000 1.769 1.055) 2.059 4.687 ( 0.000 -1.777 -0.500) 1.846 4.809 ( 0.000 -0.339 -0.265) 0.431 4.815 ( 0.000 -1.251 -0.262) 1.278 6.263 ( -0.000 0.477 0.134) 0.496 6.275 ( 0.000 -0.215 0.096) 0.236 6.656 ( -0.000 -0.175 0.268) 0.320 6.681 ( 0.000 -1.000 -0.083) 1.004 6.788 ( -0.000 0.848 0.041) 0.849 6.810 ( 0.000 0.164 -0.283) 0.327 7.588 ( -0.000 0.556 0.315) 0.639 7.589 ( -0.000 1.020 0.122) 1.027 7.781 ( 0.000 -0.531 0.003) 0.531 7.781 ( 0.000 -0.541 -0.004) 0.541 12.526 ( -0.000 0.015 0.235) 0.236 12.554 ( 0.000 -0.793 -0.116) 0.801 12.869 ( -0.000 0.944 0.379) 1.017 12.961 ( 0.000 -2.188 -0.843) 2.345 13.150 ( -0.000 2.723 0.153) 2.727 13.249 ( -0.000 2.881 -1.486) 3.242 13.308 ( 0.000 -1.768 1.206) 2.140 13.384 ( 0.000 -0.442 -0.368) 0.575 ======================= Grid point 333 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -5.673 12.055 3.532) 13.783 1.076 ( -2.747 13.597 3.074) 14.208 1.247 ( -0.144 5.444 -4.051) 6.787 1.322 ( -3.652 -1.488 -2.069) 4.453 1.429 ( -2.059 3.675 0.375) 4.229 1.506 ( -7.662 3.607 2.582) 8.854 1.607 ( -14.464 3.944 2.510) 15.201 1.642 ( -15.787 7.244 1.042) 17.401 1.719 ( -0.856 -0.970 -1.225) 1.781 1.748 ( 0.784 1.406 0.162) 1.618 1.878 ( -4.646 -3.558 -3.735) 6.942 1.915 ( -8.216 -5.289 -0.186) 9.773 1.933 ( -2.613 -6.842 0.052) 7.324 2.108 ( -2.207 -3.295 0.041) 3.966 2.209 ( -7.086 0.439 -1.563) 7.270 2.271 ( -6.963 1.688 0.684) 7.197 2.300 ( -2.171 1.617 0.716) 2.799 2.327 ( -1.762 0.039 2.967) 3.451 2.491 ( 1.131 -0.763 -0.369) 1.413 2.560 ( 6.689 -1.627 -0.808) 6.932 3.066 ( 7.806 -0.247 -1.752) 8.004 3.123 ( 7.911 -1.022 0.832) 8.020 3.206 ( 9.778 0.212 0.969) 9.828 3.251 ( 11.553 -1.504 -0.484) 11.661 4.496 ( -8.154 -1.479 -0.089) 8.288 4.513 ( -9.119 -1.803 0.027) 9.296 4.628 ( -5.579 1.032 0.179) 5.676 4.716 ( -4.107 -1.272 0.230) 4.305 4.772 ( 3.238 -0.809 -0.458) 3.369 4.782 ( 2.415 -0.411 0.068) 2.451 6.215 ( 5.818 0.161 0.005) 5.820 6.222 ( 5.918 -0.224 0.117) 5.923 6.668 ( -1.296 0.001 -0.044) 1.297 6.690 ( -1.622 -0.747 0.147) 1.791 6.793 ( 0.063 0.640 -0.237) 0.685 6.812 ( -0.254 0.134 0.050) 0.291 7.488 ( 7.298 0.184 -0.169) 7.302 7.503 ( 6.889 -0.157 0.245) 6.895 7.888 ( -8.450 0.196 0.107) 8.453 7.891 ( -8.680 -0.069 0.120) 8.681 12.525 ( 0.188 0.075 0.172) 0.266 12.545 ( 0.318 -0.496 0.173) 0.614 12.902 ( -2.333 -0.096 0.150) 2.339 12.946 ( -0.423 -1.927 -0.671) 2.083 13.162 ( 1.325 0.932 -1.976) 2.555 13.235 ( 1.477 1.052 2.086) 2.764 13.284 ( 0.546 3.670 0.389) 3.731 13.453 ( -4.950 -3.359 -0.756) 6.030 ======================= Grid point 334 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -5.404 8.256 1.567) 9.991 1.146 ( 3.257 5.634 1.838) 6.762 1.223 ( -0.304 -0.740 -1.423) 1.632 1.307 ( 2.849 -1.921 1.689) 3.829 1.487 ( -2.525 2.223 -1.598) 3.725 1.622 ( -2.549 1.958 3.147) 4.499 1.667 ( 0.247 -0.967 -2.888) 3.056 1.702 ( 0.912 -0.456 -0.543) 1.155 1.825 ( 0.363 -2.380 -0.423) 2.444 1.846 ( -3.016 2.771 0.552) 4.132 1.929 ( -4.633 -0.728 -0.344) 4.703 2.045 ( -4.089 -3.676 3.707) 6.632 2.221 ( -6.212 0.469 -1.901) 6.513 2.238 ( -9.078 3.690 -1.205) 9.873 2.303 ( -5.805 -2.624 -0.821) 6.423 2.350 ( -1.089 -0.007 1.449) 1.812 2.419 ( -10.105 2.537 0.646) 10.439 2.446 ( -10.693 1.080 -1.073) 10.801 2.602 ( -26.416 0.522 -0.675) 26.430 2.650 ( -22.354 0.401 1.338) 22.397 2.875 ( 11.801 -1.152 -0.920) 11.893 2.884 ( 14.638 -1.217 -1.309) 14.747 2.954 ( 15.095 -1.295 -1.843) 15.262 3.069 ( 10.007 0.223 3.625) 10.646 4.639 ( -1.105 -0.358 -0.077) 1.164 4.666 ( 0.495 -0.407 0.688) 0.940 4.682 ( -6.126 -0.776 -0.771) 6.223 4.705 ( -1.320 -0.628 -0.041) 1.462 4.757 ( -6.636 -0.344 -2.071) 6.960 4.845 ( -6.787 0.023 2.166) 7.124 6.048 ( 12.799 -0.026 -0.096) 12.799 6.051 ( 12.904 -0.203 -0.050) 12.905 6.699 ( -2.048 0.134 -0.532) 2.120 6.725 ( -2.182 -0.042 0.546) 2.250 6.794 ( -0.035 0.166 -0.501) 0.529 6.819 ( -0.196 -0.071 0.412) 0.462 7.380 ( 4.409 0.128 -0.011) 4.411 7.393 ( 4.505 -0.600 -0.125) 4.547 8.038 ( -7.382 0.310 0.041) 7.389 8.042 ( -7.651 0.111 0.064) 7.652 12.526 ( -0.216 0.108 0.019) 0.242 12.539 ( 0.334 -0.020 0.396) 0.518 12.930 ( -1.234 -1.397 -0.872) 2.058 12.948 ( -1.492 -1.218 -0.373) 1.962 13.130 ( 1.295 1.114 -0.751) 1.866 13.218 ( 2.272 -0.225 2.752) 3.576 13.328 ( -0.996 4.938 -1.177) 5.173 13.488 ( -2.632 -4.188 -0.249) 4.953 ======================= Grid point 335 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.534 -0.401 -1.844) 1.961 1.197 ( 0.476 2.834 2.146) 3.587 1.249 ( -3.973 1.343 2.588) 4.928 1.283 ( -3.849 -2.649 -0.511) 4.700 1.532 ( -1.655 0.745 -2.343) 2.964 1.650 ( 0.264 0.951 -1.180) 1.539 1.656 ( -0.554 -0.565 -1.564) 1.752 1.725 ( -3.495 -1.053 3.808) 5.275 1.807 ( -0.305 -0.929 0.092) 0.982 1.885 ( 1.298 1.534 4.509) 4.937 1.979 ( -2.197 -0.605 -2.092) 3.093 2.051 ( 1.218 -0.155 0.675) 1.402 2.167 ( 5.002 0.616 -4.565) 6.800 2.296 ( 6.213 0.026 -0.104) 6.214 2.318 ( 0.667 0.336 -0.197) 0.773 2.331 ( 1.492 1.717 1.859) 2.938 2.561 ( 8.712 -0.131 0.174) 8.715 2.612 ( 8.426 -2.265 0.062) 8.725 2.681 ( 5.831 1.615 -1.877) 6.335 2.704 ( -8.985 1.198 -1.640) 9.212 2.741 ( -6.452 -1.241 -1.479) 6.735 2.895 ( 10.136 0.134 3.938) 10.875 3.285 ( -40.922 0.159 0.112) 40.922 3.293 ( -40.293 -0.338 0.199) 40.295 4.517 ( 7.808 -0.286 -0.959) 7.872 4.568 ( 6.843 -0.105 0.939) 6.908 4.816 ( -7.211 -0.279 -0.690) 7.249 4.844 ( -7.270 -0.177 0.331) 7.280 4.871 ( -6.411 -0.213 -1.754) 6.650 4.969 ( -5.362 0.160 1.878) 5.684 5.750 ( 19.931 -0.044 -0.247) 19.932 5.754 ( 19.553 -0.051 -0.081) 19.553 6.735 ( -1.981 0.165 -0.620) 2.083 6.759 ( -0.652 0.239 0.083) 0.699 6.802 ( -1.386 0.030 0.124) 1.392 6.819 ( 0.202 -0.290 0.375) 0.515 7.327 ( 1.947 0.116 -0.099) 1.953 7.336 ( 1.355 -0.394 -0.044) 1.411 8.152 ( -5.094 0.091 -0.318) 5.105 8.164 ( -5.548 0.109 0.146) 5.551 12.532 ( 0.661 0.111 0.024) 0.671 12.533 ( -0.279 0.148 0.089) 0.328 12.937 ( -1.185 -0.755 -1.172) 1.830 12.961 ( -1.027 -1.009 -1.165) 1.852 13.132 ( 0.150 1.782 1.760) 2.509 13.181 ( 2.187 -1.239 2.128) 3.293 13.356 ( 0.085 2.648 -3.493) 4.384 13.500 ( -1.431 -2.179 1.041) 2.806 ======================= Grid point 336 (130/171) ======================= q-point: ( 0.80 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -7.671 -0.000 -1.519) 7.820 1.216 ( -3.349 -0.000 -0.508) 3.387 1.331 ( -3.588 -0.000 -0.274) 3.598 1.396 ( -6.621 0.000 2.585) 7.108 1.543 ( -2.188 -0.000 -3.283) 3.945 1.659 ( 0.398 0.000 0.402) 0.566 1.670 ( -1.572 0.000 2.569) 3.012 1.761 ( 2.819 0.000 1.287) 3.099 1.824 ( -1.892 -0.000 -0.269) 1.911 1.892 ( -1.249 0.000 5.635) 5.772 1.981 ( 1.743 -0.000 -2.079) 2.713 2.024 ( 2.010 -0.000 -1.170) 2.325 2.077 ( 3.636 -0.000 -3.132) 4.799 2.086 ( 13.732 0.000 -1.219) 13.786 2.166 ( 11.604 0.000 -1.146) 11.660 2.311 ( 4.064 0.000 1.948) 4.507 2.399 ( 6.643 -0.000 -4.352) 7.941 2.509 ( -2.908 -0.000 -0.749) 3.003 2.627 ( 0.473 0.000 1.898) 1.956 2.723 ( 8.675 0.000 3.713) 9.437 2.912 ( -8.084 -0.000 -0.821) 8.125 2.914 ( -8.157 -0.000 -0.911) 8.208 4.003 ( -36.565 -0.000 -0.008) 36.565 4.007 ( -37.313 -0.000 0.066) 37.313 4.383 ( 5.556 0.000 -1.039) 5.653 4.461 ( 4.659 0.000 1.044) 4.774 4.915 ( -4.114 -0.000 -0.714) 4.175 4.945 ( -3.766 -0.000 0.224) 3.772 4.957 ( -3.583 -0.000 -1.057) 3.736 5.047 ( -2.301 0.000 1.283) 2.635 5.333 ( 25.255 0.000 -0.438) 25.259 5.350 ( 24.495 0.000 0.064) 24.495 6.755 ( 0.613 -0.000 -0.332) 0.697 6.762 ( -1.040 -0.000 -0.312) 1.086 6.811 ( 0.447 0.000 0.019) 0.447 6.840 ( -1.956 0.000 0.624) 2.053 7.305 ( 0.513 -0.000 -0.356) 0.624 7.327 ( -0.142 0.000 0.241) 0.280 8.222 ( -2.715 -0.000 -0.432) 2.750 8.241 ( -2.728 -0.000 0.104) 2.730 12.516 ( 0.964 -0.000 -0.429) 1.055 12.536 ( 0.065 0.000 0.133) 0.148 12.955 ( -1.648 -0.000 -1.230) 2.056 12.964 ( -0.462 -0.000 -1.375) 1.450 13.141 ( 1.945 0.000 1.381) 2.385 13.160 ( -0.540 0.000 3.723) 3.762 13.343 ( 0.112 -0.000 -4.856) 4.857 13.517 ( -0.774 0.000 1.264) 1.483 ======================= Grid point 344 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.000 12.753 7.731) 14.913 0.898 ( -0.000 16.303 2.591) 16.507 1.065 ( -0.000 13.604 -2.227) 13.785 1.237 ( 0.000 5.396 -10.369) 11.689 1.296 ( -0.000 20.385 7.466) 21.710 1.422 ( 0.000 -1.785 1.223) 2.164 1.456 ( 0.000 -3.216 0.789) 3.311 1.553 ( -0.000 2.949 6.176) 6.844 1.722 ( 0.000 -0.402 -2.198) 2.235 1.790 ( 0.000 -0.820 -1.137) 1.402 1.820 ( 0.000 -4.410 -0.593) 4.450 1.852 ( 0.000 -2.080 -5.692) 6.060 2.015 ( 0.000 -8.560 1.269) 8.653 2.087 ( 0.000 -3.043 -4.871) 5.743 2.146 ( -0.000 1.295 0.144) 1.303 2.171 ( -0.000 1.917 -0.083) 1.918 2.296 ( -0.000 1.158 3.979) 4.144 2.320 ( -0.000 0.265 3.000) 3.012 2.521 ( 0.000 -1.550 1.536) 2.183 2.669 ( 0.000 -4.759 -2.943) 5.596 3.154 ( -0.000 -0.221 0.820) 0.849 3.181 ( 0.000 -0.891 -0.187) 0.910 3.303 ( -0.000 0.758 0.621) 0.980 3.383 ( 0.000 -1.635 -1.921) 2.523 4.429 ( 0.000 -2.341 -0.071) 2.342 4.431 ( 0.000 -2.514 -0.142) 2.518 4.567 ( -0.000 1.643 1.934) 2.538 4.681 ( 0.000 -1.334 -1.060) 1.704 4.806 ( 0.000 -0.380 -0.363) 0.526 4.812 ( 0.000 -1.252 -0.430) 1.324 6.265 ( -0.000 0.434 0.253) 0.502 6.276 ( 0.000 -0.202 0.088) 0.220 6.659 ( -0.000 -0.335 0.458) 0.567 6.680 ( 0.000 -0.986 -0.171) 1.001 6.789 ( -0.000 0.819 0.096) 0.825 6.807 ( 0.000 0.283 -0.472) 0.550 7.591 ( -0.000 0.991 0.220) 1.015 7.591 ( -0.000 0.507 0.432) 0.666 7.781 ( 0.000 -0.528 0.006) 0.528 7.781 ( 0.000 -0.536 -0.008) 0.536 12.529 ( -0.000 0.049 0.426) 0.429 12.553 ( 0.000 -0.633 -0.228) 0.673 12.873 ( -0.000 0.907 0.743) 1.173 12.951 ( 0.000 -1.561 -1.512) 2.173 13.152 ( -0.000 2.500 0.486) 2.547 13.233 ( -0.000 2.108 -2.012) 2.914 13.320 ( -0.000 -0.847 1.506) 1.728 13.380 ( 0.000 -0.178 -0.664) 0.687 ======================= Grid point 345 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -4.915 10.249 5.258) 12.523 1.107 ( -3.557 12.878 3.702) 13.863 1.198 ( -0.302 2.417 -6.636) 7.069 1.314 ( -5.710 5.554 -0.267) 7.970 1.436 ( -0.986 1.886 1.111) 2.401 1.518 ( -10.026 2.759 0.573) 10.415 1.627 ( -10.391 6.077 1.691) 12.156 1.658 ( -7.917 4.395 3.063) 9.559 1.713 ( -6.488 -1.013 -0.105) 6.568 1.747 ( -0.204 2.345 -0.373) 2.383 1.842 ( -6.132 -2.216 -4.327) 7.825 1.914 ( -7.071 -4.721 -0.300) 8.508 1.933 ( -3.842 -8.054 -0.094) 8.924 2.101 ( -4.369 -3.744 -1.652) 5.986 2.201 ( -6.012 1.562 -0.411) 6.225 2.279 ( -7.699 2.075 1.012) 8.038 2.306 ( 0.109 1.178 0.825) 1.442 2.353 ( -1.603 -0.057 3.156) 3.540 2.487 ( 2.521 -1.703 -0.600) 3.101 2.552 ( 4.945 -1.468 -1.092) 5.272 3.052 ( 8.386 -0.371 -1.536) 8.534 3.129 ( 8.630 -1.032 0.554) 8.709 3.214 ( 9.923 -0.531 0.681) 9.960 3.248 ( 9.919 -0.766 -0.239) 9.951 4.496 ( -8.225 -1.618 -0.120) 8.383 4.513 ( -9.192 -1.645 0.008) 9.339 4.630 ( -4.632 0.565 0.332) 4.679 4.718 ( -3.911 -0.299 0.105) 3.924 4.769 ( 2.784 -1.148 -0.173) 3.017 4.781 ( 1.971 -0.365 -0.194) 2.014 6.215 ( 5.908 0.140 0.034) 5.910 6.223 ( 5.957 -0.219 0.109) 5.962 6.667 ( -1.089 -0.144 -0.045) 1.099 6.692 ( -1.796 -0.675 0.170) 1.926 6.791 ( 0.215 0.549 -0.271) 0.649 6.813 ( -0.469 0.241 0.042) 0.529 7.487 ( 7.328 0.145 -0.155) 7.331 7.505 ( 7.059 -0.137 0.242) 7.065 7.889 ( -8.477 0.172 0.147) 8.480 7.892 ( -8.675 -0.060 0.125) 8.676 12.527 ( 0.306 -0.004 0.221) 0.378 12.547 ( 0.192 -0.265 0.211) 0.389 12.903 ( -1.963 -0.166 0.245) 1.985 12.939 ( -0.521 -1.477 -0.944) 1.828 13.148 ( 1.829 0.680 -1.444) 2.428 13.249 ( -0.589 2.418 1.296) 2.806 13.289 ( 1.812 2.548 0.909) 3.256 13.445 ( -4.865 -3.098 -0.999) 5.854 ======================= Grid point 346 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -4.214 6.334 2.253) 7.934 1.152 ( 2.391 2.449 -0.962) 3.555 1.218 ( -1.708 2.043 0.686) 2.750 1.324 ( 4.667 1.716 2.232) 5.451 1.477 ( -2.283 1.208 -0.791) 2.701 1.623 ( -1.823 0.074 -2.346) 2.972 1.655 ( 0.556 0.204 -0.339) 0.682 1.709 ( -0.765 -1.146 2.222) 2.614 1.813 ( -0.980 0.075 -2.341) 2.539 1.850 ( -2.725 1.544 0.583) 3.186 1.933 ( -3.893 -1.118 0.983) 4.168 2.078 ( -3.831 -3.456 3.877) 6.453 2.201 ( -5.085 -0.022 -2.685) 5.750 2.229 ( -8.254 3.419 -0.786) 8.969 2.295 ( -8.856 -2.475 -1.010) 9.251 2.363 ( -0.255 0.486 1.310) 1.421 2.423 ( -9.531 2.139 0.058) 9.768 2.438 ( -9.866 1.349 -0.588) 9.975 2.598 ( -27.451 0.769 -0.358) 27.464 2.660 ( -22.259 0.604 1.009) 22.290 2.865 ( 10.353 -0.654 -1.385) 10.466 2.876 ( 15.944 -1.575 -0.606) 16.033 2.941 ( 15.964 -1.846 -1.172) 16.113 3.096 ( 9.417 0.247 2.721) 9.806 4.639 ( 0.180 -0.353 0.218) 0.452 4.666 ( -1.004 -0.160 -0.620) 1.191 4.680 ( -5.952 -1.001 0.544) 6.060 4.703 ( -1.155 -0.534 -0.327) 1.314 4.742 ( -6.543 -0.563 -1.529) 6.743 4.861 ( -6.928 0.176 1.611) 7.115 6.047 ( 12.834 -0.047 -0.098) 12.834 6.050 ( 12.977 -0.205 -0.051) 12.979 6.695 ( -1.943 0.053 -0.398) 1.984 6.729 ( -2.226 0.019 0.409) 2.263 6.790 ( -0.095 0.044 -0.396) 0.409 6.822 ( -0.227 0.037 0.310) 0.386 7.380 ( 4.219 0.002 -0.006) 4.219 7.392 ( 4.723 -0.475 -0.129) 4.748 8.039 ( -7.230 0.246 0.045) 7.234 8.043 ( -7.683 0.157 0.059) 7.684 12.527 ( -0.221 0.060 0.077) 0.242 12.542 ( 0.439 0.080 0.346) 0.565 12.923 ( -1.004 -1.473 -0.656) 1.899 12.944 ( -1.245 -1.073 -0.696) 1.786 13.127 ( 0.355 1.186 -0.004) 1.238 13.240 ( 2.501 -0.288 2.220) 3.357 13.317 ( -0.231 4.730 -1.230) 4.893 13.485 ( -3.061 -3.824 -0.308) 4.908 ======================= Grid point 347 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.666 -0.687 -1.098) 1.456 1.210 ( -0.011 1.898 0.852) 2.080 1.272 ( -2.184 0.967 2.364) 3.360 1.280 ( -3.891 -0.603 -0.086) 3.938 1.515 ( -1.226 0.305 -1.619) 2.054 1.639 ( -1.557 -0.284 -1.456) 2.150 1.649 ( -0.584 0.223 -0.006) 0.625 1.755 ( -3.423 -1.088 2.944) 4.644 1.805 ( -0.421 -0.618 -0.578) 0.945 1.917 ( -0.721 3.234 2.544) 4.177 1.969 ( -1.417 -2.168 0.055) 2.590 2.056 ( 3.209 -0.191 0.485) 3.251 2.129 ( 5.105 0.320 -4.297) 6.681 2.294 ( 7.505 -0.259 -0.276) 7.514 2.316 ( -0.465 0.843 -0.212) 0.986 2.345 ( 1.367 2.144 1.410) 2.907 2.564 ( 10.815 -1.229 0.444) 10.894 2.609 ( 13.130 -1.581 -0.773) 13.248 2.671 ( 0.629 2.289 -0.609) 2.451 2.694 ( -11.970 0.970 -0.733) 12.031 2.728 ( -5.283 -1.746 -1.543) 5.774 2.923 ( 10.338 0.156 2.550) 10.649 3.286 ( -41.004 0.082 0.097) 41.004 3.295 ( -40.087 -0.221 0.152) 40.088 4.510 ( 7.957 -0.298 -0.620) 7.986 4.575 ( 6.746 -0.045 0.603) 6.774 4.811 ( -7.143 -0.342 -0.495) 7.168 4.846 ( -7.271 -0.158 0.200) 7.276 4.859 ( -6.605 -0.262 -1.111) 6.702 4.982 ( -5.230 0.193 1.218) 5.373 5.748 ( 19.999 -0.059 -0.194) 20.000 5.753 ( 19.516 -0.056 -0.074) 19.516 6.730 ( -1.992 0.135 -0.407) 2.038 6.759 ( -0.322 0.216 -0.037) 0.389 6.804 ( -1.856 -0.070 0.158) 1.864 6.822 ( 0.331 -0.145 0.254) 0.442 7.326 ( 2.084 -0.057 -0.079) 2.086 7.336 ( 1.203 -0.228 -0.037) 1.225 8.150 ( -4.982 0.074 -0.220) 4.988 8.165 ( -5.559 0.107 0.082) 5.560 12.532 ( 0.867 0.094 0.016) 0.873 12.534 ( -0.296 0.156 0.080) 0.344 12.928 ( -1.116 -0.957 -0.775) 1.662 12.951 ( -0.782 -0.768 -1.035) 1.508 13.148 ( -0.495 2.046 1.885) 2.826 13.197 ( 2.049 -1.633 1.661) 3.102 13.327 ( 0.885 2.258 -3.086) 3.925 13.507 ( -1.635 -1.707 0.615) 2.443 ======================= Grid point 348 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -7.807 -0.000 -0.790) 7.847 1.210 ( -2.360 -0.000 -0.710) 2.464 1.330 ( -3.122 -0.000 -0.028) 3.122 1.419 ( -8.320 0.000 2.516) 8.692 1.517 ( -0.898 -0.000 -2.657) 2.805 1.658 ( -0.976 -0.000 -0.222) 1.001 1.694 ( -3.135 0.000 2.657) 4.110 1.774 ( 4.923 0.000 1.341) 5.103 1.818 ( -1.489 -0.000 -1.029) 1.810 1.936 ( -0.687 0.000 4.546) 4.597 1.967 ( 1.804 -0.000 -1.218) 2.177 2.009 ( 0.989 -0.000 -2.435) 2.628 2.055 ( 2.179 -0.000 -1.874) 2.874 2.077 ( 13.831 0.000 -0.842) 13.857 2.159 ( 13.150 0.000 -0.467) 13.158 2.325 ( 6.663 0.000 1.538) 6.839 2.368 ( 4.625 -0.000 -2.779) 5.396 2.504 ( -3.084 -0.000 -0.401) 3.110 2.640 ( 0.537 0.000 1.139) 1.260 2.747 ( 8.933 0.000 1.979) 9.150 2.906 ( -8.313 -0.000 -0.524) 8.329 2.907 ( -8.322 -0.000 -0.616) 8.345 4.003 ( -36.460 -0.000 0.000) 36.460 4.007 ( -37.311 -0.000 0.033) 37.311 4.376 ( 5.588 0.000 -0.543) 5.614 4.467 ( 4.564 0.000 0.548) 4.596 4.910 ( -4.130 -0.000 -0.431) 4.152 4.946 ( -3.741 -0.000 0.107) 3.743 4.951 ( -3.715 -0.000 -0.520) 3.751 5.055 ( -2.224 0.000 0.684) 2.327 5.330 ( 25.367 0.000 -0.257) 25.368 5.351 ( 24.440 0.000 0.021) 24.440 6.753 ( 0.631 -0.000 -0.182) 0.657 6.760 ( -1.209 -0.000 -0.204) 1.226 6.811 ( 0.677 0.000 0.049) 0.678 6.844 ( -2.048 -0.000 0.336) 2.075 7.303 ( 0.570 -0.000 -0.193) 0.601 7.329 ( -0.203 0.000 0.121) 0.237 8.219 ( -2.699 -0.000 -0.243) 2.710 8.242 ( -2.712 -0.000 0.040) 2.713 12.513 ( 1.105 -0.000 -0.242) 1.132 12.537 ( 0.056 0.000 0.060) 0.082 12.946 ( -1.635 -0.000 -0.670) 1.767 12.955 ( -0.406 -0.000 -0.800) 0.897 13.150 ( 2.029 0.000 0.763) 2.168 13.192 ( -1.130 0.000 3.563) 3.738 13.304 ( 0.628 -0.000 -4.135) 4.182 13.525 ( -0.812 0.000 0.603) 1.011 ======================= Grid point 349 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -7.847 -0.000 0.000) 7.847 1.207 ( -2.018 -0.000 0.000) 2.018 1.330 ( -2.963 -0.000 0.000) 2.963 1.431 ( -9.954 -0.000 0.000) 9.954 1.504 ( 0.614 0.000 -0.000) 0.614 1.657 ( -1.371 -0.000 0.000) 1.371 1.707 ( -3.978 -0.000 0.000) 3.978 1.780 ( 5.606 0.000 -0.000) 5.606 1.812 ( -1.078 -0.000 0.000) 1.078 1.962 ( 0.553 0.000 -0.000) 0.553 1.962 ( 1.835 0.000 -0.000) 1.835 1.991 ( -0.478 -0.000 0.000) 0.478 2.047 ( 1.730 0.000 -0.000) 1.730 2.073 ( 13.855 0.000 -0.000) 13.855 2.158 ( 13.666 0.000 -0.000) 13.666 2.334 ( 10.895 0.000 -0.000) 10.895 2.355 ( 0.615 0.000 -0.000) 0.615 2.502 ( -3.139 -0.000 0.000) 3.139 2.645 ( 0.579 0.000 -0.000) 0.579 2.756 ( 9.057 0.000 -0.000) 9.057 2.904 ( -8.429 -0.000 0.000) 8.429 2.904 ( -8.393 -0.000 0.000) 8.393 4.003 ( -36.423 -0.000 0.000) 36.423 4.007 ( -37.306 -0.000 0.000) 37.306 4.374 ( 5.595 0.000 -0.000) 5.595 4.470 ( 4.531 0.000 -0.000) 4.531 4.908 ( -4.134 -0.000 0.000) 4.134 4.947 ( -3.734 -0.000 0.000) 3.734 4.948 ( -3.762 -0.000 0.000) 3.762 5.058 ( -2.202 -0.000 0.000) 2.202 5.329 ( 25.410 0.000 -0.000) 25.410 5.351 ( 24.420 0.000 -0.000) 24.420 6.752 ( 0.636 0.000 -0.000) 0.636 6.759 ( -1.258 -0.000 0.000) 1.258 6.812 ( 0.746 0.000 -0.000) 0.746 6.845 ( -2.078 -0.000 0.000) 2.078 7.302 ( 0.589 0.000 -0.000) 0.589 7.329 ( -0.225 -0.000 0.000) 0.225 8.218 ( -2.693 -0.000 0.000) 2.693 8.242 ( -2.706 -0.000 0.000) 2.706 12.512 ( 1.156 0.000 -0.000) 1.156 12.537 ( 0.056 0.000 -0.000) 0.056 12.944 ( -1.630 -0.000 0.000) 1.630 12.951 ( -0.395 -0.000 0.000) 0.395 13.153 ( 2.058 0.000 -0.000) 2.058 13.211 ( -1.798 -0.000 0.000) 1.798 13.283 ( 1.278 0.000 -0.000) 1.278 13.528 ( -0.825 -0.000 0.000) 0.825 ======================= Grid point 355 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.000 10.442 9.718) 14.265 0.924 ( 0.000 15.864 3.431) 16.231 1.044 ( -0.000 13.881 -2.736) 14.148 1.147 ( -0.000 4.969 -10.927) 12.004 1.363 ( 0.000 18.314 7.999) 19.985 1.433 ( -0.000 -0.144 1.198) 1.207 1.467 ( -0.000 -1.833 2.038) 2.741 1.596 ( -0.000 5.206 3.485) 6.264 1.701 ( 0.000 -1.557 -2.414) 2.872 1.770 ( -0.000 -2.680 -3.580) 4.472 1.813 ( 0.000 -3.296 -1.010) 3.447 1.817 ( -0.000 -0.899 -2.358) 2.524 2.021 ( 0.000 -8.983 0.080) 8.983 2.049 ( 0.000 -4.365 -3.767) 5.766 2.148 ( 0.000 2.282 0.373) 2.312 2.168 ( 0.000 2.790 -0.571) 2.848 2.329 ( -0.000 0.827 3.520) 3.616 2.346 ( -0.000 0.134 2.738) 2.741 2.536 ( -0.000 -2.458 2.011) 3.176 2.641 ( -0.000 -4.390 -3.650) 5.709 3.161 ( -0.000 -0.641 0.858) 1.071 3.179 ( -0.000 -1.025 -0.250) 1.055 3.310 ( -0.000 0.594 0.924) 1.099 3.366 ( 0.000 -0.997 -2.192) 2.409 4.428 ( -0.000 -2.350 -0.068) 2.351 4.430 ( -0.000 -2.480 -0.145) 2.484 4.586 ( -0.000 1.418 2.522) 2.893 4.669 ( -0.000 -0.705 -1.676) 1.819 4.804 ( 0.000 -0.508 -0.270) 0.575 4.808 ( -0.000 -1.222 -0.454) 1.304 6.267 ( 0.000 0.358 0.336) 0.491 6.276 ( -0.000 -0.138 -0.030) 0.141 6.663 ( 0.000 -0.526 0.540) 0.754 6.678 ( 0.000 -0.957 -0.266) 0.994 6.790 ( 0.000 0.775 0.175) 0.794 6.803 ( -0.000 0.421 -0.533) 0.679 7.593 ( 0.000 0.934 0.266) 0.971 7.595 ( -0.000 0.515 0.325) 0.609 7.781 ( -0.000 -0.524 0.008) 0.524 7.781 ( 0.000 -0.530 -0.010) 0.530 12.533 ( 0.000 0.073 0.543) 0.548 12.550 ( -0.000 -0.420 -0.338) 0.539 12.881 ( -0.000 0.819 1.087) 1.361 12.936 ( 0.000 -0.803 -1.864) 2.030 13.159 ( -0.000 2.196 0.954) 2.395 13.216 ( -0.000 1.738 -2.114) 2.736 13.333 ( 0.000 -0.261 1.472) 1.495 13.373 ( 0.000 0.088 -0.881) 0.885 ======================= Grid point 356 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -3.989 8.161 6.441) 11.136 1.113 ( -2.126 6.807 -4.899) 8.652 1.164 ( -3.651 7.626 1.113) 8.527 1.311 ( -7.164 9.435 -0.532) 11.859 1.445 ( -0.404 0.233 1.036) 1.137 1.520 ( -8.454 2.043 -0.104) 8.698 1.638 ( -5.865 6.604 1.182) 8.911 1.686 ( -3.870 3.821 2.642) 6.047 1.713 ( -7.552 -1.340 -0.324) 7.677 1.746 ( -5.342 3.418 0.622) 6.373 1.809 ( -7.873 -2.126 -3.215) 8.766 1.909 ( -4.623 -3.267 -0.915) 5.734 1.933 ( -6.335 -8.803 -0.012) 10.845 2.084 ( -6.160 -4.247 -2.015) 7.749 2.201 ( -5.555 2.542 0.256) 6.114 2.285 ( -8.430 2.476 0.511) 8.801 2.314 ( 2.341 0.480 1.014) 2.596 2.378 ( -1.129 0.093 2.430) 2.681 2.482 ( 4.025 -2.598 -0.610) 4.830 2.543 ( 2.947 -1.424 -1.015) 3.427 3.041 ( 8.860 -0.489 -0.997) 8.930 3.133 ( 9.152 -1.132 0.324) 9.228 3.216 ( 11.190 -1.241 -0.042) 11.258 3.248 ( 7.470 0.018 0.277) 7.475 4.495 ( -8.302 -1.750 -0.106) 8.485 4.513 ( -9.231 -1.480 -0.010) 9.349 4.633 ( -3.732 0.091 0.361) 3.750 4.718 ( -3.411 0.568 -0.072) 3.458 4.769 ( 1.910 -1.279 0.180) 2.306 4.779 ( 1.668 -0.435 -0.376) 1.764 6.216 ( 6.003 0.107 0.045) 6.004 6.224 ( 5.986 -0.197 0.064) 5.989 6.667 ( -0.910 -0.271 -0.029) 0.950 6.693 ( -1.942 -0.619 0.130) 2.043 6.789 ( 0.331 0.481 -0.206) 0.619 6.813 ( -0.645 0.323 0.023) 0.721 7.486 ( 7.379 0.120 -0.101) 7.381 7.507 ( 7.198 -0.126 0.166) 7.201 7.890 ( -8.508 0.137 0.138) 8.510 7.893 ( -8.667 -0.031 0.075) 8.668 12.529 ( 0.416 -0.083 0.187) 0.463 12.548 ( 0.073 -0.035 0.167) 0.186 12.906 ( -1.471 -0.280 0.323) 1.532 12.931 ( -0.720 -0.996 -0.926) 1.539 13.138 ( 1.954 0.522 -0.809) 2.179 13.256 ( -1.780 3.666 0.487) 4.105 13.298 ( 2.573 1.460 1.074) 3.147 13.437 ( -4.779 -2.867 -0.887) 5.643 ======================= Grid point 357 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -2.298 4.272 2.715) 5.559 1.133 ( -1.337 1.559 -2.968) 3.610 1.231 ( -0.060 3.263 1.604) 3.636 1.342 ( 5.909 4.960 1.729) 7.906 1.471 ( -2.426 -0.116 -0.643) 2.513 1.603 ( -2.370 -0.928 -1.877) 3.163 1.653 ( 1.348 0.267 -0.143) 1.381 1.730 ( -1.558 -1.529 2.091) 3.023 1.792 ( -1.886 1.853 -2.192) 3.435 1.855 ( -2.250 0.730 0.367) 2.393 1.941 ( -3.791 -1.260 0.798) 4.073 2.111 ( -3.910 -3.146 3.876) 6.341 2.176 ( -4.354 -0.217 -3.260) 5.443 2.225 ( -7.058 3.059 -0.332) 7.700 2.287 ( -10.822 -2.331 -0.683) 11.092 2.371 ( 0.183 0.817 0.741) 1.118 2.419 ( -11.043 1.827 -0.641) 11.212 2.438 ( -7.694 1.454 0.275) 7.835 2.596 ( -27.987 1.048 -0.149) 28.007 2.667 ( -22.358 0.771 0.535) 22.378 2.855 ( 10.182 -0.487 -0.831) 10.227 2.872 ( 16.184 -1.793 -0.280) 16.286 2.934 ( 16.332 -2.122 -0.610) 16.480 3.114 ( 9.074 0.240 1.450) 9.193 4.642 ( 2.403 -0.285 0.446) 2.460 4.659 ( -4.644 -0.331 -0.860) 4.734 4.687 ( -5.127 -0.837 0.845) 5.263 4.700 ( -0.504 -0.518 -0.517) 0.888 4.732 ( -6.454 -0.686 -0.835) 6.544 4.871 ( -7.014 0.267 0.857) 7.071 6.047 ( 12.867 -0.065 -0.061) 12.868 6.050 ( 13.031 -0.205 -0.032) 13.033 6.692 ( -1.879 0.005 -0.209) 1.890 6.732 ( -2.233 0.052 0.214) 2.244 6.787 ( -0.149 -0.027 -0.214) 0.262 6.824 ( -0.254 0.096 0.163) 0.316 7.380 ( 4.038 -0.114 -0.001) 4.040 7.391 ( 4.926 -0.360 -0.083) 4.940 8.039 ( -7.104 0.191 0.029) 7.106 8.043 ( -7.712 0.198 0.034) 7.714 12.527 ( -0.221 0.037 0.067) 0.234 12.545 ( 0.519 0.145 0.199) 0.575 12.919 ( -0.898 -1.550 -0.340) 1.823 12.938 ( -0.979 -0.925 -0.530) 1.447 13.129 ( -0.409 1.220 0.226) 1.306 13.254 ( 2.640 -0.345 1.247) 2.940 13.309 ( 0.458 4.592 -0.799) 4.684 13.483 ( -3.413 -3.550 -0.223) 4.930 ======================= Grid point 358 (140/171) ======================= q-point: ( 0.90 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.751 -0.826 -0.363) 1.174 1.214 ( -0.268 0.756 0.150) 0.817 1.279 ( -2.441 0.616 0.047) 2.518 1.288 ( -2.505 1.369 0.998) 3.024 1.505 ( -1.052 -0.030 -0.642) 1.233 1.630 ( -1.926 -0.608 -0.603) 2.108 1.651 ( -1.399 0.329 0.304) 1.469 1.773 ( -3.475 -1.212 1.091) 3.838 1.800 ( -0.467 -0.320 -0.451) 0.724 1.926 ( -2.455 3.626 0.183) 4.383 1.979 ( -1.554 -2.501 1.328) 3.230 2.059 ( 6.764 -0.160 0.290) 6.772 2.099 ( 4.095 0.070 -2.246) 4.671 2.292 ( 8.335 -0.470 -0.124) 8.349 2.315 ( -1.303 1.171 -0.085) 1.754 2.354 ( 1.376 2.434 0.512) 2.842 2.567 ( 12.266 -2.271 0.304) 12.478 2.603 ( 15.856 -0.813 -0.517) 15.885 2.668 ( -4.914 3.184 -0.216) 5.860 2.692 ( -13.031 0.833 0.206) 13.059 2.716 ( -2.944 -2.543 -0.912) 3.995 2.937 ( 10.406 0.162 0.881) 10.445 3.287 ( -41.044 0.039 0.038) 41.044 3.295 ( -39.973 -0.155 0.056) 39.973 4.507 ( 8.037 -0.303 -0.214) 8.046 4.578 ( 6.698 -0.011 0.208) 6.701 4.808 ( -7.091 -0.378 -0.182) 7.103 4.847 ( -7.272 -0.185 0.085) 7.275 4.852 ( -6.722 -0.252 -0.397) 6.738 4.989 ( -5.159 0.209 0.422) 5.181 5.747 ( 20.037 -0.067 -0.074) 20.037 5.753 ( 19.498 -0.059 -0.029) 19.498 6.728 ( -1.993 0.118 -0.141) 2.001 6.758 ( -0.166 0.200 -0.028) 0.262 6.805 ( -2.087 -0.115 0.068) 2.091 6.823 ( 0.395 -0.071 0.089) 0.411 7.325 ( 2.163 -0.156 -0.030) 2.169 7.336 ( 1.115 -0.133 -0.015) 1.123 8.148 ( -4.919 0.065 -0.079) 4.920 8.166 ( -5.560 0.104 0.026) 5.561 12.532 ( 0.983 0.086 0.005) 0.987 12.534 ( -0.294 0.159 0.033) 0.336 12.924 ( -1.082 -1.103 -0.265) 1.567 12.945 ( -0.669 -0.601 -0.406) 0.987 13.161 ( -0.819 2.330 0.845) 2.611 13.207 ( 1.636 -2.095 0.724) 2.755 13.307 ( 1.658 2.204 -1.378) 3.084 13.510 ( -1.740 -1.502 0.199) 2.307 ======================= Grid point 366 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -0.000 8.363 10.696) 13.577 0.955 ( 0.000 15.384 3.752) 15.835 1.019 ( -0.000 14.146 -3.307) 14.527 1.053 ( -0.000 5.336 -11.086) 12.304 1.419 ( -0.000 11.705 4.481) 12.534 1.441 ( 0.000 1.924 0.532) 1.996 1.498 ( -0.000 3.524 5.613) 6.627 1.600 ( 0.000 7.911 -2.881) 8.420 1.691 ( 0.000 -2.908 0.682) 2.987 1.737 ( -0.000 -2.968 -3.832) 4.847 1.805 ( 0.000 -2.545 -0.777) 2.661 1.806 ( -0.000 -1.479 -0.791) 1.677 2.019 ( 0.000 -8.815 -0.300) 8.820 2.026 ( 0.000 -6.398 -1.760) 6.635 2.152 ( 0.000 3.029 0.504) 3.070 2.163 ( 0.000 3.356 -0.714) 3.431 2.354 ( -0.000 0.758 2.371) 2.489 2.364 ( 0.000 0.301 1.335) 1.368 2.555 ( 0.000 -3.295 2.551) 4.168 2.609 ( -0.000 -4.126 -3.711) 5.550 3.168 ( 0.000 -0.962 0.712) 1.196 3.176 ( -0.000 -1.125 -0.346) 1.177 3.319 ( -0.000 0.361 1.274) 1.324 3.348 ( 0.000 -0.419 -2.044) 2.087 4.428 ( 0.000 -2.368 -0.032) 2.369 4.428 ( -0.000 -2.439 -0.100) 2.441 4.608 ( -0.000 1.071 2.763) 2.963 4.652 ( -0.000 -0.027 -2.254) 2.255 4.802 ( 0.000 -0.715 -0.068) 0.719 4.805 ( -0.000 -1.123 -0.347) 1.175 6.270 ( 0.000 0.250 0.360) 0.439 6.275 ( -0.000 -0.022 -0.186) 0.187 6.668 ( 0.000 -0.696 0.529) 0.874 6.676 ( 0.000 -0.906 -0.366) 0.977 6.792 ( 0.000 0.716 0.278) 0.768 6.798 ( -0.000 0.543 -0.491) 0.732 7.595 ( 0.000 0.842 0.234) 0.874 7.597 ( -0.000 0.598 0.104) 0.607 7.781 ( -0.000 -0.521 0.010) 0.522 7.781 ( 0.000 -0.525 -0.012) 0.525 12.538 ( 0.000 0.050 0.574) 0.576 12.547 ( -0.000 -0.208 -0.444) 0.490 12.892 ( -0.000 0.644 1.411) 1.551 12.920 ( 0.000 -0.141 -1.891) 1.896 13.169 ( -0.000 1.908 1.412) 2.374 13.198 ( 0.000 1.634 -2.015) 2.594 13.345 ( 0.000 0.088 1.349) 1.352 13.365 ( 0.000 0.248 -1.051) 1.080 ======================= Grid point 367 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -3.055 6.056 6.774) 9.586 1.055 ( -2.057 5.165 -7.125) 9.037 1.183 ( -5.428 9.602 1.754) 11.169 1.306 ( -8.025 11.754 -0.574) 14.244 1.452 ( -0.021 -0.874 0.492) 1.003 1.518 ( -6.581 1.322 -0.158) 6.714 1.649 ( -4.376 8.578 1.271) 9.714 1.690 ( -0.509 2.583 -1.034) 2.828 1.714 ( -5.968 -2.163 0.624) 6.378 1.756 ( -11.676 3.976 1.065) 12.380 1.790 ( -8.412 -1.848 -1.241) 8.702 1.901 ( -3.276 -2.122 -0.654) 3.957 1.933 ( -7.680 -9.078 0.023) 11.891 2.072 ( -6.973 -4.878 -0.836) 8.551 2.203 ( -5.584 3.230 0.161) 6.453 2.288 ( -8.442 2.660 0.122) 8.852 2.321 ( 3.326 0.061 0.471) 3.359 2.392 ( -0.768 0.241 0.931) 1.231 2.478 ( 5.025 -3.086 -0.259) 5.903 2.536 ( 1.536 -1.504 -0.440) 2.195 3.035 ( 9.118 -0.567 -0.342) 9.142 3.135 ( 9.404 -1.228 0.113) 9.485 3.215 ( 11.895 -1.424 -0.133) 11.981 3.251 ( 6.141 0.283 0.195) 6.151 4.494 ( -8.350 -1.829 -0.043) 8.548 4.513 ( -9.240 -1.374 -0.007) 9.342 4.636 ( -3.184 -0.219 0.161) 3.196 4.717 ( -3.013 1.024 -0.065) 3.183 4.771 ( 0.851 -1.153 0.359) 1.478 4.775 ( 1.910 -0.598 -0.412) 2.044 6.216 ( 6.067 0.079 0.021) 6.068 6.224 ( 5.996 -0.174 0.019) 5.999 6.667 ( -0.811 -0.342 -0.010) 0.880 6.694 ( -2.023 -0.591 0.048) 2.108 6.788 ( 0.390 0.447 -0.076) 0.598 6.813 ( -0.740 0.365 0.007) 0.825 7.485 ( 7.416 0.107 -0.035) 7.417 7.508 ( 7.276 -0.121 0.058) 7.277 7.891 ( -8.530 0.099 0.062) 8.531 7.893 ( -8.660 0.004 0.018) 8.660 12.530 ( 0.480 -0.133 0.073) 0.503 12.549 ( 0.002 0.106 0.063) 0.124 12.908 ( -0.965 -0.430 0.224) 1.080 12.925 ( -1.036 -0.628 -0.462) 1.296 13.134 ( 1.957 0.442 -0.252) 2.022 13.259 ( -2.075 4.189 0.109) 4.676 13.305 ( 2.678 1.034 0.470) 2.909 13.431 ( -4.731 -2.742 -0.365) 5.481 ======================= Grid point 368 (143/171) ======================= q-point: (-0.10 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 1.317 2.435 -0.000) 2.768 1.113 ( -5.572 2.832 0.000) 6.250 1.238 ( 0.616 3.086 -0.000) 3.147 1.350 ( 6.485 6.588 -0.000) 9.244 1.468 ( -2.668 -0.945 0.000) 2.831 1.595 ( -2.692 -1.185 0.000) 2.941 1.653 ( 1.576 0.137 -0.000) 1.581 1.739 ( -1.638 -1.874 0.000) 2.489 1.781 ( -2.151 2.610 0.000) 3.382 1.856 ( -2.141 0.557 0.000) 2.212 1.944 ( -3.834 -1.312 0.000) 4.052 2.137 ( -4.679 -4.847 0.000) 6.737 2.152 ( -3.364 1.573 0.000) 3.714 2.223 ( -6.518 2.911 0.000) 7.139 2.284 ( -11.492 -2.265 0.000) 11.713 2.375 ( 0.186 0.949 -0.000) 0.967 2.416 ( -11.336 1.746 0.000) 11.469 2.439 ( -7.135 1.420 0.000) 7.275 2.595 ( -28.147 1.170 0.000) 28.171 2.669 ( -22.419 0.837 0.000) 22.435 2.851 ( 10.141 -0.463 -0.000) 10.152 2.871 ( 16.265 -1.862 -0.000) 16.372 2.931 ( 16.434 -2.205 -0.000) 16.582 3.120 ( 8.961 0.235 -0.000) 8.964 4.645 ( 6.083 -0.178 -0.000) 6.085 4.655 ( -8.541 -0.458 0.000) 8.554 4.692 ( -9.440 -0.815 0.000) 9.476 4.696 ( 4.045 -0.502 -0.000) 4.076 4.728 ( -6.418 -0.716 0.000) 6.458 4.875 ( -7.043 0.298 0.000) 7.049 6.046 ( 12.881 -0.073 -0.000) 12.881 6.050 ( 13.051 -0.205 -0.000) 13.052 6.691 ( -1.857 -0.012 0.000) 1.857 6.733 ( -2.231 0.063 0.000) 2.232 6.786 ( -0.172 -0.050 0.000) 0.179 6.825 ( -0.265 0.114 0.000) 0.288 7.380 ( 3.960 -0.163 -0.000) 3.964 7.391 ( 5.012 -0.312 -0.000) 5.022 8.039 ( -7.054 0.169 0.000) 7.056 8.043 ( -7.724 0.215 0.000) 7.727 12.528 ( -0.220 0.030 0.000) 0.222 12.545 ( 0.549 0.168 -0.000) 0.574 12.917 ( -0.875 -1.587 0.000) 1.812 12.936 ( -0.866 -0.857 0.000) 1.219 13.130 ( -0.710 1.228 0.000) 1.418 13.260 ( 2.682 -0.370 -0.000) 2.707 13.305 ( 0.751 4.549 -0.000) 4.611 13.482 ( -3.551 -3.449 0.000) 4.951 ======================= Grid point 379 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 7.600 -10.163) 12.690 0.956 ( -0.000 7.600 10.163) 12.690 0.990 ( -0.000 13.679 -2.310) 13.873 0.990 ( -0.000 13.679 2.310) 13.873 1.440 ( -0.000 4.875 -0.939) 4.965 1.440 ( -0.000 4.875 0.939) 4.965 1.555 ( -0.000 8.110 -6.961) 10.687 1.555 ( -0.000 8.110 6.961) 10.687 1.708 ( 0.000 -2.854 -2.770) 3.977 1.708 ( 0.000 -2.854 2.770) 3.977 1.802 ( -0.000 -2.144 -0.002) 2.144 1.802 ( 0.000 -2.144 0.002) 2.144 2.018 ( 0.000 -8.007 -0.034) 8.007 2.018 ( 0.000 -8.007 0.034) 8.007 2.157 ( -0.000 3.433 -0.358) 3.452 2.157 ( -0.000 3.433 0.358) 3.452 2.367 ( -0.000 0.593 -0.419) 0.726 2.367 ( 0.000 0.593 0.419) 0.726 2.579 ( 0.000 -3.841 -3.218) 5.011 2.579 ( 0.000 -3.841 3.218) 5.011 3.173 ( -0.000 -1.121 -0.160) 1.133 3.173 ( 0.000 -1.121 0.160) 1.133 3.332 ( 0.000 0.032 -1.666) 1.666 3.332 ( -0.000 0.032 1.666) 1.666 4.428 ( 0.000 -2.399 -0.007) 2.399 4.428 ( 0.000 -2.399 0.007) 2.399 4.631 ( 0.000 0.585 -2.513) 2.580 4.631 ( -0.000 0.585 2.513) 2.580 4.803 ( 0.000 -0.943 -0.138) 0.953 4.803 ( 0.000 -0.943 0.138) 0.953 6.273 ( 0.000 0.117 -0.283) 0.306 6.273 ( -0.000 0.117 0.283) 0.306 6.672 ( -0.000 -0.822 -0.385) 0.908 6.672 ( 0.000 -0.822 0.385) 0.908 6.794 ( -0.000 0.640 -0.322) 0.716 6.794 ( -0.000 0.640 0.322) 0.716 7.597 ( -0.000 0.721 -0.026) 0.722 7.597 ( 0.000 0.721 0.026) 0.722 7.781 ( 0.000 -0.521 -0.002) 0.521 7.781 ( 0.000 -0.521 0.002) 0.521 12.543 ( 0.000 -0.043 -0.496) 0.497 12.543 ( -0.000 -0.043 0.496) 0.497 12.905 ( 0.000 0.338 -1.684) 1.717 12.905 ( -0.000 0.338 1.684) 1.717 13.182 ( -0.000 1.707 -1.507) 2.277 13.182 ( -0.000 1.707 1.507) 2.277 13.356 ( -0.000 0.253 -0.788) 0.827 13.356 ( 0.000 0.253 0.788) 0.827 ======================= Grid point 398 (145/171) ======================= q-point: ( 0.40 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -7.011 -0.000 2.582) 7.471 1.202 ( -5.776 -0.000 -2.152) 6.164 1.343 ( -5.080 -0.000 1.170) 5.213 1.365 ( -5.736 0.000 -1.307) 5.883 1.591 ( 0.536 0.000 2.079) 2.147 1.630 ( 3.259 -0.000 -2.563) 4.146 1.672 ( -1.313 -0.000 3.544) 3.779 1.747 ( -2.819 -0.000 -2.473) 3.750 1.803 ( -0.185 0.000 -2.647) 2.653 1.812 ( -1.621 -0.000 -1.448) 2.174 2.018 ( 1.693 -0.000 1.778) 2.455 2.033 ( 2.214 -0.000 -0.076) 2.215 2.104 ( 12.944 -0.000 0.776) 12.967 2.110 ( 9.788 -0.000 0.365) 9.795 2.208 ( 5.647 -0.000 3.644) 6.721 2.268 ( 3.108 -0.000 -3.120) 4.404 2.489 ( 5.439 -0.000 5.365) 7.639 2.524 ( -1.767 -0.000 0.694) 1.898 2.596 ( 1.646 -0.000 -0.947) 1.899 2.641 ( 7.879 -0.000 -5.387) 9.544 2.925 ( -7.808 0.000 0.552) 7.827 2.927 ( -7.861 -0.000 0.412) 7.871 4.004 ( -36.897 -0.000 0.059) 36.897 4.005 ( -37.203 -0.000 -0.099) 37.203 4.407 ( 5.352 -0.000 1.696) 5.614 4.437 ( 4.988 -0.000 -1.695) 5.268 4.928 ( -4.016 -0.000 0.745) 4.084 4.939 ( -3.868 -0.000 -0.494) 3.899 4.983 ( -3.148 -0.000 1.934) 3.695 5.018 ( -2.651 -0.000 -2.015) 3.330 5.342 ( 24.959 -0.000 0.470) 24.964 5.348 ( 24.690 -0.000 -0.249) 24.692 6.762 ( 0.430 -0.000 0.402) 0.588 6.766 ( -0.249 -0.000 0.003) 0.249 6.814 ( -0.564 -0.000 0.469) 0.733 6.826 ( -1.527 -0.000 -0.873) 1.759 7.313 ( 0.315 -0.000 0.517) 0.605 7.321 ( 0.067 -0.000 -0.446) 0.451 8.230 ( -2.755 -0.000 0.529) 2.805 8.238 ( -2.761 -0.000 -0.327) 2.780 12.525 ( 0.543 -0.000 0.524) 0.755 12.532 ( 0.195 -0.000 -0.338) 0.390 12.979 ( -1.614 0.000 1.394) 2.132 12.987 ( -0.981 -0.000 0.779) 1.253 13.112 ( 0.549 -0.000 -1.566) 1.660 13.114 ( 1.592 0.000 -1.402) 2.121 13.422 ( -0.376 -0.000 4.277) 4.293 13.483 ( -0.631 -0.000 -2.810) 2.880 ======================= Grid point 410 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.405 0.936 2.760) 2.942 1.146 ( 0.522 0.817 -3.115) 3.263 1.222 ( -5.582 3.605 -0.537) 6.667 1.290 ( -4.088 -4.771 0.143) 6.284 1.586 ( -2.080 1.680 3.610) 4.492 1.630 ( -2.441 0.163 -3.796) 4.516 1.684 ( 1.204 0.647 1.424) 1.973 1.698 ( -0.534 -0.957 0.182) 1.111 1.802 ( 0.924 -0.630 0.186) 1.133 1.816 ( 1.455 -0.432 -2.519) 2.941 2.018 ( -1.884 0.338 1.849) 2.661 2.034 ( -0.931 -0.127 -1.278) 1.586 2.234 ( 5.528 1.881 2.661) 6.417 2.278 ( 2.512 -0.793 -1.888) 3.241 2.310 ( 0.916 1.571 -0.158) 1.825 2.322 ( 3.965 -0.547 0.073) 4.004 2.562 ( 5.098 1.609 0.107) 5.347 2.604 ( 5.978 -3.400 -0.338) 6.886 2.712 ( -4.597 2.545 0.657) 5.296 2.739 ( 0.509 -1.192 1.222) 1.781 2.772 ( 3.446 0.752 3.101) 4.697 2.816 ( 7.187 -0.374 -4.491) 8.484 3.284 ( -40.703 0.336 -0.028) 40.705 3.290 ( -40.723 -0.579 -0.070) 40.727 4.537 ( 7.413 -0.172 1.260) 7.522 4.549 ( 7.155 -0.292 -1.254) 7.270 4.828 ( -7.273 -0.015 0.575) 7.296 4.836 ( -7.274 -0.401 -0.471) 7.301 4.908 ( -5.962 -0.040 2.529) 6.476 4.930 ( -5.756 0.040 -2.559) 6.300 5.754 ( 19.743 0.002 0.120) 19.743 5.755 ( 19.691 -0.066 -0.021) 19.691 6.747 ( -1.824 0.235 0.740) 1.983 6.753 ( -1.510 0.243 -0.594) 1.641 6.802 ( -0.177 0.467 0.067) 0.504 6.813 ( -0.272 -0.791 -0.202) 0.860 7.328 ( 1.694 0.434 0.032) 1.749 7.337 ( 1.631 -0.702 0.012) 1.776 8.158 ( -5.372 0.146 0.318) 5.383 8.161 ( -5.434 0.083 -0.265) 5.441 12.532 ( 0.195 0.161 -0.013) 0.253 12.532 ( -0.115 0.111 -0.019) 0.161 12.957 ( -1.226 -0.187 0.765) 1.457 12.971 ( -1.793 -1.609 -0.034) 2.410 13.119 ( 1.694 1.838 0.106) 2.502 13.147 ( 1.789 -1.209 -1.172) 2.457 13.403 ( -1.092 4.741 1.353) 5.050 13.480 ( -0.804 -4.312 -0.742) 4.448 ======================= Grid point 411 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -6.491 -0.182 0.000) 6.493 1.181 ( -6.491 0.182 0.000) 6.493 1.354 ( -5.627 -2.355 0.000) 6.100 1.354 ( -5.627 2.355 0.000) 6.100 1.609 ( 2.674 -1.358 0.000) 2.999 1.609 ( 2.674 1.358 0.000) 2.999 1.711 ( -2.539 -0.004 0.000) 2.539 1.711 ( -2.539 0.004 0.000) 2.539 1.800 ( -0.933 -0.605 0.000) 1.112 1.800 ( -0.933 0.605 0.000) 1.112 2.029 ( 1.886 -0.000 -0.000) 1.886 2.029 ( 1.886 0.000 -0.000) 1.886 2.109 ( 11.822 -3.574 -0.000) 12.350 2.109 ( 11.822 3.574 -0.000) 12.350 2.239 ( 3.918 -0.004 0.000) 3.918 2.239 ( 3.918 0.004 0.000) 3.918 2.522 ( 1.110 -0.499 0.000) 1.217 2.522 ( 1.110 0.499 0.000) 1.217 2.602 ( 5.453 -0.681 -0.000) 5.495 2.602 ( 5.453 0.681 -0.000) 5.495 2.928 ( -7.798 -1.374 0.000) 7.918 2.928 ( -7.798 1.374 0.000) 7.918 4.005 ( -37.068 -0.408 0.000) 37.070 4.005 ( -37.068 0.408 0.000) 37.070 4.422 ( 5.179 -0.077 -0.000) 5.180 4.422 ( 5.179 0.077 -0.000) 5.180 4.934 ( -3.941 -0.113 0.000) 3.942 4.934 ( -3.941 0.113 0.000) 3.942 5.001 ( -2.895 -0.080 0.000) 2.897 5.001 ( -2.895 0.080 0.000) 2.897 5.345 ( 24.818 -0.001 -0.000) 24.818 5.345 ( 24.818 0.001 -0.000) 24.818 6.765 ( 0.168 -0.049 0.000) 0.175 6.765 ( 0.168 0.049 0.000) 0.175 6.819 ( -1.121 -0.392 0.000) 1.188 6.819 ( -1.121 0.392 0.000) 1.188 7.317 ( 0.192 -0.346 0.000) 0.396 7.317 ( 0.192 0.346 0.000) 0.396 8.234 ( -2.764 -0.006 0.000) 2.764 8.234 ( -2.764 0.006 0.000) 2.764 12.529 ( 0.344 -0.112 0.000) 0.362 12.529 ( 0.344 0.112 0.000) 0.362 12.988 ( -1.400 -1.377 0.000) 1.964 12.988 ( -1.400 1.377 0.000) 1.964 13.106 ( 1.183 -1.671 -0.000) 2.047 13.106 ( 1.183 1.671 -0.000) 2.047 13.456 ( -0.521 -2.749 0.000) 2.798 13.456 ( -0.521 2.749 0.000) 2.798 ======================= Grid point 421 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -6.348 10.326 0.000) 12.121 1.123 ( 2.148 7.139 -0.000) 7.455 1.238 ( 4.920 0.093 -0.000) 4.921 1.295 ( -0.742 -7.640 0.000) 7.676 1.537 ( -2.092 3.762 0.000) 4.304 1.546 ( -4.125 1.685 0.000) 4.456 1.710 ( 0.389 -1.916 0.000) 1.955 1.712 ( 2.144 1.656 -0.000) 2.709 1.827 ( -0.940 0.686 0.000) 1.163 1.827 ( -0.499 -1.939 0.000) 2.002 1.951 ( -5.262 0.508 0.000) 5.287 1.999 ( -5.001 -4.196 0.000) 6.528 2.238 ( -8.598 1.520 0.000) 8.731 2.253 ( -8.995 3.831 0.000) 9.777 2.309 ( -1.090 -2.798 0.000) 3.003 2.335 ( -2.015 -0.992 0.000) 2.246 2.413 ( -12.648 3.089 0.000) 13.020 2.456 ( -11.005 0.532 0.000) 11.018 2.615 ( -23.603 0.620 0.000) 23.611 2.631 ( -23.809 -0.049 0.000) 23.809 2.882 ( 13.074 -1.190 -0.000) 13.128 2.900 ( 14.267 -1.772 -0.000) 14.377 2.995 ( 11.574 0.592 -0.000) 11.589 3.010 ( 12.450 -0.669 -0.000) 12.468 4.642 ( -3.052 -0.190 0.000) 3.058 4.656 ( 0.884 -0.818 -0.000) 1.204 4.693 ( -5.224 -0.369 0.000) 5.237 4.703 ( -0.840 -0.925 0.000) 1.249 4.790 ( -7.190 0.508 0.000) 7.208 4.811 ( -6.142 -0.755 0.000) 6.188 6.049 ( 12.772 -0.005 -0.000) 12.772 6.051 ( 12.810 -0.198 -0.000) 12.811 6.706 ( -2.326 0.410 0.000) 2.362 6.718 ( -1.962 -0.294 0.000) 1.984 6.800 ( 0.049 0.512 -0.000) 0.514 6.813 ( -0.187 -0.402 0.000) 0.444 7.380 ( 4.590 0.252 -0.000) 4.597 7.395 ( 4.294 -0.723 -0.000) 4.354 8.038 ( -7.555 0.381 0.000) 7.565 8.041 ( -7.615 0.062 0.000) 7.616 12.527 ( -0.202 0.256 0.000) 0.326 12.535 ( 0.208 -0.227 -0.000) 0.308 12.943 ( -2.455 -1.184 0.000) 2.725 12.947 ( -0.773 -1.465 0.000) 1.656 13.149 ( 2.939 1.213 -0.000) 3.180 13.181 ( 1.334 -0.387 -0.000) 1.389 13.339 ( -1.797 5.221 0.000) 5.521 13.490 ( -2.144 -4.638 0.000) 5.110 ======================= Grid point 432 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 14.331 -0.000) 14.331 1.098 ( -0.000 13.138 -0.000) 13.138 1.248 ( 0.000 -12.329 0.000) 12.329 1.272 ( -0.000 11.407 -0.000) 11.407 1.378 ( 0.000 -5.554 0.000) 5.554 1.472 ( -0.000 1.272 -0.000) 1.272 1.501 ( -0.000 14.367 -0.000) 14.367 1.545 ( -0.000 9.530 -0.000) 9.530 1.736 ( 0.000 -5.185 0.000) 5.185 1.748 ( -0.000 0.385 -0.000) 0.385 1.803 ( 0.000 -0.801 0.000) 0.801 1.834 ( 0.000 -8.602 0.000) 8.602 1.921 ( 0.000 -0.206 0.000) 0.206 2.081 ( 0.000 -6.097 0.000) 6.097 2.148 ( -0.000 1.411 -0.000) 1.411 2.175 ( -0.000 0.092 -0.000) 0.092 2.291 ( -0.000 2.162 -0.000) 2.162 2.304 ( -0.000 0.829 -0.000) 0.829 2.502 ( -0.000 0.552 -0.000) 0.552 2.611 ( 0.000 -5.813 0.000) 5.813 3.151 ( -0.000 0.477 -0.000) 0.477 3.171 ( 0.000 -0.784 0.000) 0.784 3.314 ( -0.000 1.301 -0.000) 1.301 3.367 ( 0.000 -2.215 0.000) 2.215 4.400 ( 0.000 -1.490 0.000) 1.490 4.401 ( 0.000 -1.560 0.000) 1.560 4.580 ( -0.000 2.332 -0.000) 2.332 4.656 ( 0.000 -2.498 0.000) 2.498 4.804 ( 0.000 -0.460 0.000) 0.460 4.805 ( 0.000 -0.346 0.000) 0.346 6.268 ( -0.000 0.243 -0.000) 0.243 6.272 ( 0.000 -0.133 0.000) 0.133 6.655 ( -0.000 0.126 -0.000) 0.126 6.668 ( 0.000 -0.779 0.000) 0.779 6.800 ( -0.000 0.699 -0.000) 0.699 6.812 ( 0.000 -0.102 0.000) 0.102 7.595 ( -0.000 0.508 -0.000) 0.508 7.599 ( -0.000 0.383 -0.000) 0.383 7.774 ( 0.000 -0.324 0.000) 0.324 7.775 ( 0.000 -0.346 0.000) 0.346 12.527 ( -0.000 0.242 -0.000) 0.242 12.543 ( 0.000 -0.761 0.000) 0.761 12.882 ( -0.000 1.132 -0.000) 1.132 12.930 ( 0.000 -2.147 0.000) 2.147 13.191 ( -0.000 2.728 -0.000) 2.728 13.266 ( 0.000 -2.421 0.000) 2.421 13.306 ( -0.000 3.109 -0.000) 3.109 13.372 ( 0.000 -1.311 0.000) 1.311 ======================= Grid point 433 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -4.229 11.924 0.292) 12.655 1.168 ( -1.419 -7.577 -0.039) 7.709 1.255 ( -0.723 5.833 -0.477) 5.897 1.332 ( 2.968 -1.421 1.117) 3.475 1.524 ( -0.083 6.380 -1.714) 6.607 1.550 ( -4.739 6.110 2.627) 8.166 1.633 ( -17.654 0.230 0.799) 17.674 1.689 ( -19.514 -3.583 -0.191) 19.841 1.714 ( 0.440 0.126 -2.557) 2.597 1.754 ( 0.931 -1.250 1.530) 2.184 1.804 ( -5.006 -2.618 -1.003) 5.738 1.834 ( -3.017 -3.812 1.215) 5.011 1.956 ( -5.941 5.575 -1.467) 8.278 2.050 ( -4.449 -4.894 0.414) 6.628 2.229 ( -6.227 1.005 -0.955) 6.379 2.259 ( -6.774 -1.352 1.651) 7.102 2.317 ( -2.050 1.026 0.105) 2.295 2.322 ( -2.087 0.624 0.719) 2.294 2.499 ( 0.622 1.175 -0.821) 1.563 2.532 ( 2.807 -2.368 0.028) 3.672 3.080 ( 7.910 0.195 -1.650) 8.083 3.100 ( 7.814 -0.827 1.271) 7.960 3.211 ( 10.996 0.894 -0.109) 11.033 3.230 ( 11.317 -1.336 0.270) 11.398 4.484 ( -8.847 -0.345 -0.210) 8.856 4.490 ( -9.255 -0.961 0.196) 9.307 4.650 ( -5.088 1.661 -0.631) 5.389 4.685 ( -4.613 -1.902 0.993) 5.088 4.771 ( 3.078 -0.175 -0.717) 3.165 4.776 ( 2.662 -0.150 0.454) 2.704 6.217 ( 5.908 0.081 -0.026) 5.909 6.219 ( 5.931 -0.109 0.061) 5.933 6.671 ( -1.560 0.287 -0.195) 1.598 6.679 ( -1.672 -0.556 0.208) 1.774 6.804 ( 0.051 0.467 -0.273) 0.544 6.811 ( -0.053 -0.186 0.209) 0.285 7.493 ( 7.402 0.217 -0.217) 7.408 7.498 ( 7.277 -0.206 0.234) 7.284 7.889 ( -8.764 0.062 0.029) 8.764 7.890 ( -8.834 -0.019 0.048) 8.834 12.528 ( 0.125 0.299 -0.078) 0.333 12.535 ( 0.166 -0.487 0.272) 0.582 12.905 ( -1.356 0.658 -0.039) 1.507 12.922 ( -0.704 -1.514 -0.012) 1.670 13.193 ( 1.799 0.507 -2.633) 3.229 13.220 ( 2.122 0.151 2.874) 3.576 13.344 ( -1.628 4.107 -0.092) 4.419 13.403 ( -3.287 -3.818 -0.159) 5.041 ======================= Grid point 434 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -4.832 -0.000 -1.044) 4.944 1.164 ( -0.435 -0.000 -1.975) 2.022 1.195 ( 2.932 0.000 0.701) 3.015 1.251 ( 6.339 0.000 5.033) 8.094 1.534 ( -1.680 -0.000 -3.271) 3.677 1.605 ( -2.495 0.000 4.579) 5.214 1.683 ( 0.562 -0.000 -3.097) 3.148 1.711 ( 1.924 -0.000 -0.801) 2.084 1.807 ( 0.484 -0.000 -1.020) 1.129 1.853 ( 0.211 0.000 3.569) 3.576 1.931 ( -7.296 -0.000 -2.992) 7.886 1.984 ( -6.806 0.000 3.309) 7.568 2.250 ( -6.545 -0.000 -2.276) 6.930 2.273 ( -10.948 -0.000 0.357) 10.954 2.292 ( -2.975 -0.000 -1.907) 3.533 2.330 ( -2.349 0.000 2.443) 3.389 2.444 ( -12.073 -0.000 -0.369) 12.079 2.452 ( -12.463 -0.000 0.164) 12.464 2.613 ( -24.306 -0.000 -1.101) 24.331 2.638 ( -21.552 -0.000 1.695) 21.619 2.876 ( 14.904 0.000 -0.591) 14.916 2.877 ( 12.648 0.000 -0.611) 12.662 2.970 ( 13.331 -0.000 -3.454) 13.771 3.038 ( 10.830 0.000 4.153) 11.599 4.639 ( -1.296 -0.000 -0.501) 1.390 4.653 ( -2.338 0.000 1.018) 2.550 4.685 ( -2.801 -0.000 -1.011) 2.978 4.698 ( -2.134 0.000 0.434) 2.178 4.776 ( -6.549 -0.000 -2.692) 7.081 4.823 ( -6.842 0.000 2.719) 7.362 6.049 ( 12.798 0.000 -0.088) 12.799 6.049 ( 12.838 0.000 -0.015) 12.838 6.706 ( -2.218 -0.000 -0.750) 2.342 6.719 ( -2.415 0.000 0.748) 2.528 6.801 ( 0.110 -0.000 -0.733) 0.741 6.813 ( 0.014 0.000 0.672) 0.672 7.384 ( 4.339 0.000 -0.215) 4.344 7.387 ( 4.659 0.000 0.129) 4.661 8.041 ( -7.496 -0.000 -0.049) 7.496 8.042 ( -7.699 -0.000 0.103) 7.700 12.528 ( -0.213 -0.000 -0.212) 0.301 12.534 ( 0.044 0.000 0.492) 0.494 12.927 ( -1.205 -0.000 -0.973) 1.549 12.939 ( -1.472 0.000 0.298) 1.502 13.151 ( 1.549 -0.000 -1.723) 2.317 13.192 ( 2.560 0.000 2.870) 3.846 13.400 ( -1.095 -0.000 -2.077) 2.348 13.430 ( -2.828 0.000 1.314) 3.118 ======================= Grid point 444 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -0.000 13.729 2.148) 13.896 1.103 ( -0.000 13.116 1.163) 13.167 1.235 ( 0.000 -11.177 -2.949) 11.560 1.268 ( -0.000 11.469 -1.063) 11.518 1.382 ( 0.000 -5.364 0.910) 5.440 1.459 ( -0.000 3.071 -1.815) 3.567 1.516 ( -0.000 14.130 3.508) 14.559 1.572 ( -0.000 7.010 5.219) 8.739 1.717 ( 0.000 -3.870 -3.217) 5.033 1.761 ( -0.000 -1.014 1.688) 1.969 1.786 ( 0.000 -3.513 -3.490) 4.952 1.837 ( 0.000 -4.759 0.216) 4.764 1.917 ( 0.000 -1.255 -0.693) 1.433 2.068 ( 0.000 -5.352 -2.732) 6.009 2.155 ( -0.000 1.332 1.378) 1.916 2.180 ( -0.000 0.215 1.210) 1.229 2.297 ( -0.000 1.829 1.516) 2.376 2.310 ( -0.000 0.691 1.275) 1.451 2.501 ( -0.000 0.237 -0.162) 0.287 2.606 ( 0.000 -5.755 -1.343) 5.909 3.152 ( -0.000 0.391 0.126) 0.411 3.170 ( 0.000 -0.783 -0.177) 0.802 3.315 ( -0.000 1.230 0.135) 1.237 3.365 ( 0.000 -2.078 -0.572) 2.155 4.400 ( 0.000 -1.491 -0.048) 1.492 4.400 ( 0.000 -1.555 -0.065) 1.556 4.584 ( -0.000 2.257 0.853) 2.413 4.656 ( 0.000 -2.346 0.054) 2.346 4.802 ( 0.000 -0.463 -0.278) 0.540 4.804 ( 0.000 -0.347 -0.277) 0.444 6.268 ( -0.000 0.234 0.091) 0.251 6.272 ( 0.000 -0.138 0.084) 0.162 6.655 ( -0.000 0.092 0.111) 0.144 6.668 ( 0.000 -0.765 -0.049) 0.766 6.800 ( -0.000 0.682 -0.006) 0.682 6.811 ( 0.000 -0.073 -0.158) 0.174 7.596 ( -0.000 0.478 0.213) 0.523 7.600 ( -0.000 0.383 0.102) 0.396 7.774 ( 0.000 -0.323 0.006) 0.324 7.775 ( 0.000 -0.344 0.002) 0.344 12.528 ( -0.000 0.239 0.257) 0.351 12.543 ( 0.000 -0.712 0.073) 0.716 12.884 ( -0.000 1.095 0.297) 1.134 12.929 ( 0.000 -2.019 -0.235) 2.033 13.190 ( -0.000 2.645 -0.116) 2.648 13.258 ( 0.000 -1.606 -1.548) 2.231 13.313 ( -0.000 2.323 1.411) 2.717 13.372 ( 0.000 -1.205 -0.012) 1.205 ======================= Grid point 445 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -3.931 10.813 0.857) 11.537 1.164 ( -2.023 -8.475 -1.222) 8.799 1.254 ( 0.516 7.938 0.683) 7.984 1.347 ( 1.465 -1.524 2.224) 3.068 1.516 ( 0.369 7.816 -0.353) 7.833 1.569 ( -9.107 5.831 1.513) 10.919 1.648 ( -12.028 -1.691 2.678) 12.438 1.683 ( -6.364 -1.214 -1.733) 6.707 1.692 ( -11.882 -1.970 -1.453) 12.132 1.760 ( -0.934 -2.882 -0.917) 3.165 1.800 ( -5.280 -2.052 0.633) 5.700 1.846 ( -2.854 -2.516 1.614) 4.133 1.933 ( -6.074 4.659 -3.657) 8.484 2.054 ( -4.709 -3.861 0.516) 6.112 2.222 ( -5.764 0.834 -0.477) 5.844 2.278 ( -7.075 -0.427 2.395) 7.482 2.318 ( -1.557 0.770 0.317) 1.766 2.333 ( -1.853 0.502 1.932) 2.724 2.487 ( 1.446 0.304 -1.940) 2.439 2.531 ( 1.671 -1.774 -0.288) 2.454 3.063 ( 8.195 -0.085 -1.998) 8.435 3.110 ( 8.238 -0.550 1.009) 8.318 3.209 ( 11.688 0.155 -0.336) 11.694 3.235 ( 9.850 -0.625 0.751) 9.899 4.481 ( -8.820 -0.529 -0.347) 8.843 4.493 ( -9.363 -0.772 0.301) 9.400 4.643 ( -4.304 0.806 -0.842) 4.459 4.698 ( -5.072 -0.935 1.837) 5.475 4.764 ( 3.422 -0.239 -0.845) 3.533 4.778 ( 2.193 -0.139 0.120) 2.200 6.217 ( 5.951 0.056 -0.025) 5.952 6.220 ( 5.961 -0.093 0.115) 5.963 6.669 ( -1.361 0.089 -0.309) 1.399 6.682 ( -1.862 -0.372 0.343) 1.929 6.801 ( 0.235 0.297 -0.437) 0.578 6.813 ( -0.258 -0.011 0.270) 0.374 7.491 ( 7.431 0.108 -0.279) 7.437 7.501 ( 7.346 -0.107 0.321) 7.354 7.890 ( -8.761 0.054 0.084) 8.761 7.890 ( -8.847 -0.018 0.116) 8.848 12.527 ( 0.256 0.112 -0.033) 0.281 12.539 ( 0.057 -0.264 0.541) 0.605 12.905 ( -1.076 0.458 -0.089) 1.172 12.921 ( -0.758 -1.247 -0.072) 1.461 13.172 ( 2.128 0.362 -2.277) 3.138 13.245 ( 1.373 0.369 3.006) 3.325 13.342 ( -1.531 3.975 -0.285) 4.269 13.400 ( -3.113 -3.706 -0.442) 4.861 ======================= Grid point 446 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 2.763 -0.000 -2.556) 3.764 1.146 ( -5.140 -0.000 -0.767) 5.197 1.212 ( 0.417 0.000 2.674) 2.707 1.296 ( 6.312 0.000 5.375) 8.291 1.511 ( -1.103 -0.000 -2.198) 2.459 1.633 ( -3.084 -0.000 0.263) 3.095 1.665 ( 0.433 0.000 0.588) 0.730 1.695 ( 2.272 -0.000 -2.508) 3.384 1.805 ( 0.326 0.000 0.065) 0.332 1.882 ( -0.699 0.000 3.183) 3.259 1.907 ( -6.815 -0.000 -2.552) 7.277 2.013 ( -6.288 0.000 3.584) 7.238 2.228 ( -5.407 -0.000 -2.837) 6.106 2.272 ( -14.793 -0.000 -0.525) 14.803 2.278 ( -2.342 -0.000 -1.399) 2.728 2.350 ( -1.012 0.000 2.257) 2.474 2.443 ( -10.507 -0.000 0.084) 10.507 2.450 ( -12.017 -0.000 -0.574) 12.031 2.606 ( -26.184 -0.000 -0.497) 26.189 2.653 ( -21.358 -0.000 1.581) 21.416 2.869 ( 11.444 0.000 -1.184) 11.505 2.870 ( 15.781 0.000 -0.819) 15.802 2.945 ( 14.889 0.000 -2.499) 15.098 3.071 ( 10.013 0.000 3.667) 10.664 4.637 ( -0.659 -0.000 -0.139) 0.673 4.662 ( -2.889 0.000 1.123) 3.100 4.676 ( -3.154 -0.000 -1.150) 3.358 4.700 ( -1.703 -0.000 0.077) 1.705 4.755 ( -6.475 -0.000 -2.303) 6.873 4.845 ( -6.977 0.000 2.339) 7.359 6.048 ( 12.828 0.000 -0.123) 12.828 6.049 ( 12.900 0.000 -0.045) 12.900 6.700 ( -2.117 -0.000 -0.634) 2.210 6.725 ( -2.483 0.000 0.630) 2.562 6.795 ( 0.120 -0.000 -0.643) 0.654 6.818 ( -0.056 0.000 0.545) 0.548 7.382 ( 4.207 0.000 -0.214) 4.212 7.388 ( 4.813 0.000 0.075) 4.814 8.040 ( -7.353 -0.000 -0.024) 7.353 8.043 ( -7.742 -0.000 0.111) 7.743 12.527 ( -0.279 -0.000 -0.054) 0.285 12.539 ( 0.213 0.000 0.513) 0.556 12.919 ( -0.933 -0.000 -0.938) 1.323 12.939 ( -1.315 -0.000 -0.250) 1.339 13.140 ( 0.719 -0.000 -0.729) 1.024 13.216 ( 2.882 0.000 2.746) 3.981 13.382 ( -0.132 -0.000 -2.117) 2.121 13.439 ( -3.551 0.000 0.811) 3.643 ======================= Grid point 456 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.000 12.024 3.907) 12.643 1.117 ( -0.000 12.937 2.080) 13.103 1.200 ( -0.000 -7.917 -5.365) 9.563 1.255 ( -0.000 11.603 -1.741) 11.733 1.394 ( -0.000 -4.746 1.986) 5.145 1.452 ( -0.000 3.375 0.277) 3.387 1.556 ( 0.000 13.372 5.609) 14.500 1.619 ( 0.000 4.347 5.205) 6.781 1.687 ( -0.000 -3.776 -3.392) 5.076 1.751 ( -0.000 -5.057 -4.570) 6.816 1.773 ( 0.000 -0.815 1.207) 1.456 1.834 ( -0.000 -0.866 -1.081) 1.385 1.911 ( 0.000 -3.422 -0.596) 3.474 2.038 ( 0.000 -4.095 -4.254) 5.905 2.168 ( 0.000 1.637 1.691) 2.354 2.192 ( 0.000 0.671 1.346) 1.504 2.315 ( -0.000 1.118 2.610) 2.840 2.325 ( -0.000 0.319 2.268) 2.290 2.499 ( -0.000 -0.641 -0.255) 0.690 2.589 ( -0.000 -5.599 -2.497) 6.131 3.153 ( -0.000 0.163 0.213) 0.268 3.168 ( -0.000 -0.778 -0.299) 0.833 3.317 ( -0.000 1.030 0.278) 1.067 3.358 ( 0.000 -1.705 -0.982) 1.968 4.399 ( -0.000 -1.493 -0.076) 1.495 4.400 ( -0.000 -1.540 -0.100) 1.544 4.594 ( -0.000 2.032 1.522) 2.539 4.656 ( -0.000 -1.905 -0.041) 1.905 4.799 ( 0.000 -0.478 -0.454) 0.660 4.801 ( 0.000 -0.362 -0.454) 0.581 6.269 ( -0.000 0.205 0.162) 0.261 6.273 ( -0.000 -0.143 0.114) 0.183 6.656 ( 0.000 -0.002 0.199) 0.199 6.667 ( 0.000 -0.722 -0.100) 0.728 6.800 ( 0.000 0.635 0.007) 0.635 6.809 ( 0.000 0.007 -0.270) 0.270 7.598 ( -0.000 0.408 0.327) 0.523 7.601 ( -0.000 0.380 0.170) 0.416 7.774 ( -0.000 -0.322 0.010) 0.323 7.775 ( 0.000 -0.340 0.002) 0.340 12.531 ( -0.000 0.225 0.440) 0.495 12.544 ( -0.000 -0.579 0.096) 0.587 12.887 ( -0.000 0.977 0.551) 1.122 12.926 ( 0.000 -1.658 -0.480) 1.726 13.189 ( -0.000 2.396 -0.040) 2.396 13.243 ( -0.000 -0.745 -1.885) 2.027 13.327 ( 0.000 1.543 1.641) 2.252 13.372 ( 0.000 -0.919 -0.104) 0.925 ======================= Grid point 457 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -3.492 8.731 1.378) 9.504 1.146 ( -2.329 -6.567 -2.886) 7.542 1.270 ( 0.921 8.409 2.907) 8.945 1.368 ( 0.414 -1.911 2.686) 3.323 1.514 ( -1.010 9.254 -0.364) 9.316 1.572 ( -8.733 4.716 -1.165) 9.993 1.662 ( -4.634 -3.316 0.456) 5.716 1.684 ( -10.436 -1.580 1.765) 10.701 1.688 ( -9.757 -0.164 1.398) 9.858 1.744 ( -6.019 -5.572 -2.414) 8.551 1.810 ( -3.956 -0.497 1.299) 4.193 1.860 ( -3.207 -1.582 1.472) 3.867 1.896 ( -5.713 3.304 -4.834) 8.181 2.056 ( -5.643 -2.343 -0.056) 6.110 2.223 ( -5.189 1.066 0.635) 5.336 2.297 ( -7.502 0.280 1.980) 7.764 2.321 ( -0.427 0.679 0.227) 0.833 2.353 ( -1.428 0.075 2.738) 3.089 2.468 ( 1.996 -0.556 -2.307) 3.101 2.526 ( 0.446 -1.424 -0.833) 1.709 3.048 ( 8.612 -0.163 -1.696) 8.779 3.117 ( 8.829 -0.510 0.494) 8.857 3.206 ( 12.289 -0.367 -0.454) 12.303 3.242 ( 8.140 -0.114 0.941) 8.195 4.478 ( -8.795 -0.631 -0.333) 8.824 4.495 ( -9.509 -0.661 0.261) 9.535 4.638 ( -3.556 0.320 -0.511) 3.607 4.714 ( -5.257 -0.186 1.847) 5.575 4.757 ( 3.583 -0.409 -0.747) 3.683 4.778 ( 1.783 -0.145 -0.233) 1.804 6.217 ( 6.017 0.040 -0.007) 6.017 6.221 ( 6.013 -0.091 0.116) 6.015 6.666 ( -1.181 -0.025 -0.262) 1.210 6.684 ( -2.028 -0.278 0.304) 2.069 6.797 ( 0.382 0.220 -0.402) 0.597 6.815 ( -0.440 0.073 0.196) 0.487 7.489 ( 7.507 0.064 -0.221) 7.510 7.503 ( 7.427 -0.078 0.270) 7.432 7.890 ( -8.760 0.045 0.111) 8.761 7.891 ( -8.865 -0.020 0.135) 8.866 12.527 ( 0.369 0.014 0.070) 0.376 12.544 ( -0.023 -0.109 0.562) 0.573 12.904 ( -0.671 0.180 -0.089) 0.700 12.920 ( -0.777 -0.858 -0.164) 1.169 13.156 ( 2.078 0.320 -1.618) 2.653 13.270 ( 0.683 0.580 2.803) 2.942 13.339 ( -1.394 3.676 -0.514) 3.965 13.396 ( -2.768 -3.495 -0.612) 4.501 ======================= Grid point 458 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 3.145 -0.000 -1.757) 3.602 1.140 ( -5.330 -0.000 -0.606) 5.365 1.235 ( 0.792 0.000 2.692) 2.806 1.341 ( 6.411 0.000 5.312) 8.326 1.494 ( -0.624 -0.000 -1.960) 2.057 1.614 ( -2.307 -0.000 -3.039) 3.815 1.675 ( 2.127 -0.000 -2.110) 2.996 1.689 ( -1.001 0.000 3.288) 3.437 1.804 ( 0.154 -0.000 -0.440) 0.466 1.889 ( -5.782 -0.000 -1.609) 6.002 1.906 ( -1.791 0.000 2.296) 2.911 2.045 ( -6.067 0.000 3.811) 7.165 2.202 ( -4.017 -0.000 -3.094) 5.070 2.265 ( -18.501 -0.000 -0.877) 18.522 2.268 ( -1.448 -0.000 -0.911) 1.711 2.368 ( 0.521 0.000 1.768) 1.843 2.443 ( -12.272 -0.000 -1.050) 12.317 2.445 ( -8.994 -0.000 0.349) 9.001 2.604 ( -27.482 -0.000 -0.038) 27.482 2.665 ( -21.723 -0.000 1.235) 21.758 2.858 ( 10.611 0.000 -1.251) 10.685 2.863 ( 16.463 0.000 -0.750) 16.481 2.928 ( 16.187 0.000 -1.582) 16.264 3.098 ( 9.438 0.000 2.716) 9.821 4.637 ( 0.229 0.000 0.233) 0.327 4.666 ( -3.700 -0.000 -1.159) 3.877 4.671 ( -3.660 0.000 1.114) 3.825 4.699 ( -1.020 -0.000 -0.264) 1.053 4.738 ( -6.502 -0.000 -1.694) 6.719 4.862 ( -7.078 0.000 1.719) 7.283 6.047 ( 12.873 0.000 -0.120) 12.873 6.049 ( 12.968 0.000 -0.050) 12.968 6.695 ( -2.033 -0.000 -0.457) 2.084 6.729 ( -2.522 -0.000 0.451) 2.562 6.790 ( 0.105 -0.000 -0.476) 0.488 6.822 ( -0.121 0.000 0.380) 0.399 7.380 ( 4.109 0.000 -0.173) 4.113 7.388 ( 4.939 0.000 0.035) 4.939 8.040 ( -7.217 -0.000 -0.008) 7.217 8.044 ( -7.755 -0.000 0.094) 7.755 12.527 ( -0.312 -0.000 0.043) 0.315 12.543 ( 0.373 0.000 0.425) 0.565 12.912 ( -0.686 -0.000 -0.723) 0.996 12.936 ( -1.040 -0.000 -0.551) 1.177 13.137 ( -0.217 -0.000 0.027) 0.219 13.237 ( 3.166 0.000 2.174) 3.841 13.366 ( 0.803 -0.000 -1.796) 1.967 13.444 ( -4.156 -0.000 0.385) 4.174 ======================= Grid point 469 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.000 9.465 5.158) 10.779 1.133 ( -0.000 7.018 -0.557) 7.040 1.153 ( -0.000 1.704 -3.314) 3.727 1.239 ( -0.000 11.803 -2.250) 12.015 1.416 ( -0.000 -3.587 3.067) 4.720 1.462 ( -0.000 3.017 1.707) 3.467 1.604 ( -0.000 10.978 4.957) 12.045 1.636 ( 0.000 -4.544 -2.249) 5.070 1.682 ( -0.000 3.303 3.223) 4.615 1.715 ( -0.000 -4.374 -3.449) 5.571 1.781 ( 0.000 -0.458 0.709) 0.843 1.821 ( -0.000 0.906 -1.919) 2.122 1.908 ( 0.000 -4.723 -0.156) 4.725 1.998 ( 0.000 -3.024 -4.985) 5.830 2.182 ( 0.000 2.107 1.557) 2.620 2.201 ( 0.000 1.373 0.762) 1.570 2.339 ( -0.000 0.510 2.952) 2.996 2.346 ( -0.000 -0.036 2.505) 2.506 2.498 ( -0.000 -1.925 -0.090) 1.927 2.564 ( -0.000 -5.388 -3.242) 6.288 3.155 ( -0.000 -0.129 0.251) 0.283 3.165 ( -0.000 -0.763 -0.342) 0.836 3.320 ( -0.000 0.729 0.445) 0.854 3.349 ( 0.000 -1.187 -1.146) 1.650 4.399 ( -0.545 -1.509 -0.085) 1.606 4.399 ( 0.545 -1.506 -0.084) 1.604 4.609 ( -0.000 1.652 1.874) 2.498 4.655 ( -0.000 -1.227 -0.377) 1.283 4.795 ( 0.000 -0.510 -0.446) 0.678 4.797 ( 0.000 -0.410 -0.476) 0.628 6.271 ( -0.000 0.154 0.194) 0.248 6.274 ( -0.000 -0.127 0.073) 0.146 6.658 ( 0.000 -0.134 0.251) 0.284 6.666 ( 0.000 -0.650 -0.152) 0.667 6.800 ( 0.000 0.561 0.052) 0.564 6.807 ( 0.000 0.117 -0.311) 0.332 7.601 ( -0.000 0.343 0.306) 0.459 7.603 ( -0.000 0.368 0.176) 0.408 7.774 ( -0.000 -0.322 0.012) 0.322 7.775 ( 0.000 -0.335 0.001) 0.335 12.535 ( -0.000 0.186 0.502) 0.535 12.544 ( -0.000 -0.394 0.038) 0.396 12.893 ( -0.000 0.763 0.739) 1.062 12.921 ( 0.000 -1.134 -0.703) 1.334 13.190 ( -0.000 1.996 0.265) 2.014 13.228 ( -0.000 -0.139 -1.794) 1.799 13.340 ( 0.000 1.065 1.492) 1.834 13.370 ( 0.000 -0.528 -0.301) 0.608 ======================= Grid point 470 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -3.052 5.858 1.795) 6.845 1.119 ( -2.472 -2.971 -3.243) 5.045 1.298 ( 0.796 8.112 3.417) 8.839 1.392 ( 0.253 -2.633 2.929) 3.946 1.506 ( -3.011 10.353 -1.391) 10.871 1.551 ( -5.339 2.114 -3.200) 6.573 1.680 ( -6.715 0.301 3.455) 7.558 1.685 ( -10.946 -2.062 0.158) 11.140 1.718 ( -3.545 -1.040 3.560) 5.131 1.724 ( -11.080 -7.154 -2.144) 13.362 1.816 ( -5.106 1.318 -0.367) 5.286 1.854 ( -2.749 0.625 -4.389) 5.216 1.872 ( -4.475 -1.120 1.182) 4.762 2.054 ( -6.910 -0.531 -0.445) 6.945 2.231 ( -5.118 1.272 1.210) 5.410 2.310 ( -7.859 0.754 1.151) 7.979 2.322 ( 1.479 0.438 0.034) 1.543 2.377 ( -0.952 -0.094 2.554) 2.728 2.450 ( 2.020 -1.261 -1.866) 3.026 2.518 ( -0.654 -1.348 -1.115) 1.868 3.036 ( 8.975 -0.208 -1.118) 9.047 3.119 ( 9.321 -0.542 0.169) 9.338 3.202 ( 12.609 -0.533 -0.379) 12.626 3.249 ( 6.869 0.080 0.744) 6.910 4.476 ( -8.779 -0.687 -0.242) 8.809 4.497 ( -9.630 -0.591 0.171) 9.649 4.635 ( -2.993 0.062 -0.199) 3.000 4.728 ( -4.771 0.607 1.284) 4.978 4.752 ( 2.945 -0.833 -0.255) 3.071 4.774 ( 1.670 -0.174 -0.526) 1.760 6.217 ( 6.083 0.025 0.002) 6.083 6.221 ( 6.063 -0.089 0.084) 6.065 6.664 ( -1.051 -0.090 -0.168) 1.068 6.687 ( -2.144 -0.234 0.202) 2.166 6.794 ( 0.482 0.183 -0.278) 0.586 6.816 ( -0.573 0.116 0.112) 0.596 7.487 ( 7.585 0.041 -0.138) 7.586 7.505 ( 7.502 -0.070 0.175) 7.504 7.891 ( -8.761 0.034 0.093) 8.762 7.893 ( -8.880 -0.018 0.104) 8.881 12.528 ( 0.448 -0.029 0.100) 0.460 12.548 ( -0.070 -0.010 0.415) 0.421 12.903 ( -0.296 -0.076 -0.056) 0.311 12.919 ( -0.739 -0.491 -0.194) 0.908 13.145 ( 1.892 0.292 -0.920) 2.124 13.292 ( 0.029 0.926 2.422) 2.593 13.333 ( -1.294 3.153 -0.845) 3.512 13.390 ( -2.311 -3.215 -0.565) 3.999 ======================= Grid point 471 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 3.171 -0.000 -0.875) 3.289 1.136 ( -5.407 -0.000 -0.371) 5.420 1.255 ( 1.435 0.000 1.735) 2.251 1.384 ( 7.308 0.000 4.523) 8.595 1.475 ( -1.151 -0.000 -2.508) 2.760 1.592 ( -2.610 -0.000 -1.972) 3.271 1.662 ( 1.897 -0.000 -0.861) 2.084 1.711 ( -1.270 0.000 1.884) 2.272 1.798 ( -0.083 -0.000 -0.772) 0.776 1.880 ( -4.680 -0.000 -0.608) 4.720 1.920 ( -2.691 0.000 1.181) 2.939 2.076 ( -6.695 0.000 3.313) 7.470 2.177 ( -2.088 -0.000 -2.800) 3.493 2.259 ( -21.052 -0.000 -0.621) 21.061 2.262 ( -0.585 -0.000 -0.441) 0.733 2.379 ( 1.754 0.000 0.980) 2.009 2.434 ( -13.041 -0.000 -0.819) 13.067 2.448 ( -8.120 -0.000 0.280) 8.125 2.605 ( -28.083 -0.000 0.095) 28.083 2.673 ( -22.238 -0.000 0.685) 22.248 2.849 ( 10.230 0.000 -0.768) 10.259 2.858 ( 16.902 0.000 -0.441) 16.908 2.918 ( 17.001 0.000 -0.785) 17.019 3.116 ( 9.092 0.000 1.440) 9.206 4.640 ( 2.047 0.000 0.526) 2.113 4.657 ( -5.205 -0.000 -1.005) 5.301 4.680 ( -5.319 -0.000 0.966) 5.406 4.696 ( 0.587 -0.000 -0.528) 0.789 4.727 ( -6.596 -0.000 -0.902) 6.658 4.873 ( -7.139 -0.000 0.911) 7.196 6.046 ( 12.912 0.000 -0.075) 12.913 6.048 ( 13.021 0.000 -0.032) 13.021 6.692 ( -1.977 -0.000 -0.239) 1.991 6.732 ( -2.534 -0.000 0.234) 2.545 6.787 ( 0.081 -0.000 -0.252) 0.265 6.825 ( -0.168 0.000 0.195) 0.257 7.379 ( 4.050 0.000 -0.097) 4.051 7.388 ( 5.020 0.000 0.012) 5.020 8.040 ( -7.120 -0.000 -0.002) 7.120 8.045 ( -7.753 -0.000 0.054) 7.754 12.528 ( -0.324 -0.000 0.053) 0.328 12.546 ( 0.488 0.000 0.240) 0.544 12.907 ( -0.518 -0.000 -0.391) 0.649 12.931 ( -0.809 -0.000 -0.426) 0.914 13.139 ( -0.984 0.000 0.238) 1.012 13.252 ( 3.392 0.000 1.212) 3.602 13.353 ( 1.537 -0.000 -1.057) 1.865 13.446 ( -4.584 -0.000 0.121) 4.585 ======================= Grid point 473 (161/171) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 3.161 0.000 -0.000) 3.161 1.135 ( -5.424 -0.000 0.000) 5.424 1.262 ( 1.729 0.000 -0.000) 1.729 1.408 ( 9.696 0.000 -0.000) 9.696 1.460 ( -3.436 -0.000 0.000) 3.436 1.583 ( -2.808 -0.000 0.000) 2.808 1.659 ( 1.812 0.000 -0.000) 1.812 1.720 ( -1.321 -0.000 0.000) 1.321 1.794 ( -0.156 -0.000 0.000) 0.156 1.878 ( -4.241 -0.000 0.000) 4.241 1.925 ( -3.044 -0.000 0.000) 3.044 2.093 ( -7.914 -0.000 0.000) 7.914 2.162 ( -0.356 -0.000 0.000) 0.356 2.256 ( -21.950 -0.000 0.000) 21.950 2.261 ( -0.210 -0.000 0.000) 0.210 2.384 ( 2.233 0.000 -0.000) 2.233 2.431 ( -13.456 -0.000 0.000) 13.456 2.449 ( -7.864 -0.000 0.000) 7.864 2.605 ( -28.242 -0.000 0.000) 28.242 2.676 ( -22.475 -0.000 0.000) 22.475 2.846 ( 10.130 0.000 -0.000) 10.130 2.856 ( 17.053 0.000 -0.000) 17.053 2.914 ( 17.285 0.000 -0.000) 17.285 3.122 ( 8.977 0.000 -0.000) 8.977 4.644 ( 6.872 0.000 -0.000) 6.872 4.651 ( -9.899 -0.000 0.000) 9.899 4.686 ( -10.223 -0.000 0.000) 10.223 4.692 ( 5.473 0.000 -0.000) 5.473 4.723 ( -6.649 -0.000 0.000) 6.649 4.877 ( -7.159 -0.000 0.000) 7.159 6.046 ( 12.928 0.000 -0.000) 12.928 6.048 ( 13.040 0.000 -0.000) 13.040 6.691 ( -1.957 -0.000 0.000) 1.957 6.733 ( -2.536 -0.000 0.000) 2.536 6.786 ( 0.070 0.000 -0.000) 0.070 6.826 ( -0.185 -0.000 0.000) 0.185 7.379 ( 4.030 0.000 -0.000) 4.030 7.388 ( 5.048 0.000 -0.000) 5.048 8.040 ( -7.084 -0.000 0.000) 7.084 8.045 ( -7.751 -0.000 0.000) 7.751 12.528 ( -0.327 -0.000 0.000) 0.327 12.547 ( 0.530 0.000 -0.000) 0.530 12.905 ( -0.459 -0.000 0.000) 0.459 12.929 ( -0.723 -0.000 0.000) 0.723 13.140 ( -1.286 -0.000 0.000) 1.286 13.257 ( 3.483 0.000 -0.000) 3.483 13.349 ( 1.825 0.000 -0.000) 1.825 13.446 ( -4.744 -0.000 0.000) 4.744 ======================= Grid point 484 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.000 6.353 6.023) 8.754 1.086 ( -0.000 -0.421 -6.831) 6.844 1.167 ( 0.000 12.623 3.009) 12.977 1.218 ( -0.000 12.104 -2.719) 12.406 1.444 ( -0.000 -1.694 3.525) 3.911 1.475 ( -0.000 2.841 0.892) 2.978 1.612 ( 0.000 -7.171 -2.197) 7.500 1.623 ( -0.000 1.264 -0.858) 1.527 1.707 ( -0.000 3.099 1.898) 3.634 1.712 ( 0.000 5.411 3.083) 6.227 1.785 ( 0.000 -0.103 0.222) 0.245 1.803 ( -0.000 0.949 -2.059) 2.267 1.910 ( 0.000 -4.693 0.799) 4.760 1.957 ( 0.000 -2.774 -4.611) 5.382 2.194 ( 0.000 2.395 1.182) 2.671 2.204 ( 0.000 2.009 0.035) 2.009 2.362 ( -0.000 0.242 2.119) 2.133 2.365 ( -0.000 -0.086 1.701) 1.703 2.500 ( -0.000 -3.378 0.736) 3.458 2.536 ( -0.000 -5.106 -3.261) 6.058 3.158 ( -0.000 -0.403 0.268) 0.484 3.162 ( -0.000 -0.716 -0.326) 0.787 3.324 ( -0.000 0.349 0.651) 0.739 3.339 ( 0.000 -0.629 -1.083) 1.253 4.398 ( -0.655 -1.499 -0.051) 1.637 4.398 ( 0.655 -1.499 -0.051) 1.636 4.625 ( -0.000 1.109 1.852) 2.159 4.649 ( -0.000 -0.411 -0.918) 1.006 4.792 ( -0.000 -0.542 -0.241) 0.593 4.793 ( 0.000 -0.482 -0.335) 0.587 6.272 ( 0.000 0.081 0.177) 0.195 6.274 ( -0.000 -0.078 -0.017) 0.079 6.661 ( 0.000 -0.282 0.263) 0.386 6.665 ( 0.000 -0.550 -0.203) 0.586 6.801 ( 0.000 0.467 0.125) 0.484 6.804 ( -0.000 0.238 -0.283) 0.370 7.603 ( -0.000 0.312 0.182) 0.361 7.604 ( -0.000 0.344 0.109) 0.361 7.774 ( -0.000 -0.322 0.010) 0.322 7.775 ( 0.000 -0.329 -0.003) 0.329 12.539 ( 0.000 0.106 0.435) 0.448 12.544 ( -0.000 -0.197 -0.100) 0.221 12.899 ( -0.000 0.437 0.857) 0.962 12.914 ( 0.000 -0.551 -0.852) 1.014 13.194 ( -0.000 1.492 0.698) 1.647 13.213 ( 0.000 0.401 -1.522) 1.574 13.352 ( 0.000 0.684 1.220) 1.398 13.367 ( 0.000 -0.104 -0.581) 0.590 ======================= Grid point 485 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -2.647 2.432 1.419) 3.864 1.095 ( -2.731 0.838 -1.986) 3.479 1.321 ( 0.668 8.113 1.634) 8.302 1.413 ( 0.759 -3.721 1.678) 4.152 1.494 ( -3.267 11.621 -1.039) 12.116 1.527 ( -5.258 0.401 -1.809) 5.575 1.686 ( -9.026 -1.195 0.208) 9.107 1.708 ( -11.121 -4.120 0.266) 11.862 1.711 ( -7.421 -2.075 1.121) 7.787 1.748 ( -5.475 -0.949 4.192) 6.961 1.790 ( -6.955 2.601 -5.073) 8.993 1.836 ( 0.181 -2.505 -0.404) 2.544 1.880 ( -4.682 -0.805 0.557) 4.783 2.051 ( -7.810 0.821 -0.254) 7.857 2.240 ( -5.670 1.442 0.650) 5.887 2.315 ( -5.556 1.060 0.153) 5.659 2.323 ( 0.956 0.030 0.138) 0.966 2.393 ( -0.499 0.042 1.065) 1.176 2.439 ( 1.718 -1.734 -0.670) 2.531 2.510 ( -1.445 -1.405 -0.595) 2.101 3.029 ( 9.180 -0.233 -0.389) 9.191 3.120 ( 9.581 -0.582 0.032) 9.598 3.200 ( 12.741 -0.551 -0.146) 12.754 3.254 ( 6.217 0.133 0.278) 6.225 4.474 ( -8.769 -0.712 -0.089) 8.798 4.498 ( -9.696 -0.555 0.059) 9.712 4.634 ( -2.693 -0.056 -0.040) 2.694 4.734 ( -2.572 1.225 0.295) 2.864 4.753 ( -0.085 -1.261 0.308) 1.301 4.770 ( 2.378 -0.198 -0.444) 2.427 6.217 ( 6.124 0.015 0.002) 6.124 6.222 ( 6.094 -0.087 0.030) 6.094 6.663 ( -0.983 -0.120 -0.058) 0.992 6.688 ( -2.203 -0.216 0.070) 2.215 6.792 ( 0.532 0.168 -0.099) 0.567 6.817 ( -0.644 0.136 0.036) 0.660 7.486 ( 7.633 0.031 -0.046) 7.633 7.506 ( 7.547 -0.068 0.061) 7.548 7.892 ( -8.762 0.024 0.036) 8.763 7.893 ( -8.888 -0.014 0.039) 8.888 12.529 ( 0.487 -0.045 0.045) 0.491 12.550 ( -0.090 0.041 0.153) 0.182 12.903 ( -0.068 -0.239 -0.017) 0.249 12.918 ( -0.702 -0.259 -0.089) 0.754 13.140 ( 1.740 0.277 -0.291) 1.786 13.310 ( -0.317 1.427 1.900) 2.398 13.324 ( -1.347 2.474 -1.326) 3.114 13.387 ( -1.943 -2.976 -0.237) 3.562 ======================= Grid point 496 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 2.965 -6.600) 7.235 1.029 ( -0.000 2.965 6.600) 7.235 1.193 ( -0.000 12.455 -2.783) 12.762 1.193 ( -0.000 12.455 2.783) 12.762 1.470 ( 0.000 1.046 -2.091) 2.338 1.470 ( -0.000 1.046 2.091) 2.338 1.608 ( 0.000 -5.570 -0.840) 5.633 1.608 ( 0.000 -5.570 0.840) 5.633 1.724 ( -0.000 6.552 -0.712) 6.590 1.724 ( -0.000 6.552 0.712) 6.590 1.789 ( -0.000 0.189 -0.607) 0.636 1.789 ( 0.000 0.189 0.607) 0.636 1.925 ( 0.000 -3.692 -2.333) 4.368 1.925 ( 0.000 -3.692 2.333) 4.368 2.202 ( -0.000 2.370 -0.365) 2.398 2.202 ( 0.000 2.370 0.365) 2.398 2.372 ( -0.000 0.106 -0.024) 0.109 2.372 ( 0.000 0.106 0.024) 0.109 2.512 ( 0.000 -4.537 -2.160) 5.025 2.512 ( 0.000 -4.537 2.160) 5.025 3.160 ( -0.000 -0.603 -0.060) 0.606 3.160 ( 0.000 -0.603 0.060) 0.606 3.331 ( 0.000 -0.106 -0.878) 0.885 3.331 ( -0.000 -0.106 0.878) 0.885 4.398 ( 0.000 -1.495 -0.000) 1.495 4.398 ( 0.000 -1.495 0.000) 1.495 4.639 ( -0.000 0.406 -1.197) 1.264 4.639 ( 0.000 0.406 1.197) 1.264 4.791 ( 0.000 -0.537 -0.024) 0.538 4.791 ( 0.000 -0.537 0.024) 0.538 6.274 ( -0.000 -0.002 -0.089) 0.089 6.274 ( 0.000 -0.002 0.089) 0.089 6.663 ( -0.000 -0.425 -0.170) 0.458 6.663 ( 0.000 -0.425 0.170) 0.458 6.802 ( -0.000 0.358 -0.136) 0.383 6.802 ( 0.000 0.358 0.136) 0.383 7.604 ( -0.000 0.319 -0.001) 0.319 7.604 ( 0.000 0.319 0.001) 0.319 7.775 ( -0.000 -0.325 -0.001) 0.325 7.775 ( 0.000 -0.325 0.001) 0.325 12.542 ( -0.000 -0.023 -0.209) 0.210 12.542 ( 0.000 -0.023 0.209) 0.210 12.907 ( 0.000 -0.008 -0.885) 0.885 12.907 ( -0.000 -0.008 0.885) 0.885 13.202 ( -0.000 0.945 -0.630) 1.136 13.202 ( 0.000 0.945 0.630) 1.136 13.360 ( -0.000 0.304 -0.681) 0.746 13.360 ( 0.000 0.304 0.681) 0.746 ======================= Grid point 538 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -4.518 -7.988 0.000) 9.177 1.164 ( -4.518 7.988 0.000) 9.177 1.212 ( 6.461 -1.257 0.000) 6.582 1.212 ( 6.461 1.257 0.000) 6.582 1.566 ( -2.103 -0.017 0.000) 2.103 1.566 ( -2.103 0.017 0.000) 2.103 1.706 ( 1.113 -0.685 0.000) 1.307 1.706 ( 1.113 0.685 0.000) 1.307 1.825 ( 0.628 -0.204 0.000) 0.660 1.825 ( 0.628 0.204 0.000) 0.660 1.957 ( -7.235 -0.277 0.000) 7.240 1.957 ( -7.235 0.277 0.000) 7.240 2.265 ( -8.130 -1.585 0.000) 8.283 2.265 ( -8.130 1.585 0.000) 8.283 2.310 ( -3.058 -1.568 0.000) 3.437 2.310 ( -3.058 1.568 0.000) 3.437 2.448 ( -12.771 -1.396 0.000) 12.847 2.448 ( -12.771 1.396 0.000) 12.847 2.625 ( -22.561 -0.167 0.000) 22.561 2.625 ( -22.561 0.167 0.000) 22.561 2.879 ( 13.857 -0.758 -0.000) 13.878 2.879 ( 13.857 0.758 -0.000) 13.878 3.002 ( 11.925 -0.035 -0.000) 11.925 3.002 ( 11.925 0.035 -0.000) 11.925 4.645 ( -1.833 -0.231 0.000) 1.848 4.645 ( -1.833 0.231 0.000) 1.848 4.693 ( -2.479 -0.108 0.000) 2.481 4.693 ( -2.479 0.108 0.000) 2.481 4.800 ( -6.688 -0.118 0.000) 6.689 4.800 ( -6.688 0.118 0.000) 6.689 6.049 ( 12.801 -0.052 -0.000) 12.801 6.049 ( 12.801 0.052 -0.000) 12.801 6.712 ( -2.322 -0.136 0.000) 2.326 6.712 ( -2.322 0.136 0.000) 2.326 6.807 ( 0.073 -0.171 0.000) 0.186 6.807 ( 0.073 0.171 0.000) 0.186 7.386 ( 4.495 -0.411 -0.000) 4.513 7.386 ( 4.495 0.411 -0.000) 4.513 8.041 ( -7.617 -0.065 0.000) 7.617 8.041 ( -7.617 0.065 0.000) 7.617 12.531 ( -0.105 -0.126 0.000) 0.164 12.531 ( -0.105 0.126 0.000) 0.164 12.934 ( -1.418 -0.013 0.000) 1.418 12.934 ( -1.418 0.013 0.000) 1.418 13.169 ( 2.147 -0.358 -0.000) 2.177 13.169 ( 2.147 0.358 -0.000) 2.177 13.417 ( -2.005 -4.555 0.000) 4.977 13.417 ( -2.005 4.555 0.000) 4.977 ======================= Grid point 550 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 -13.177 0.000) 13.177 1.058 ( -0.000 13.177 -0.000) 13.177 1.263 ( 0.000 -8.859 0.000) 8.859 1.263 ( -0.000 8.859 -0.000) 8.859 1.431 ( 0.000 -7.482 0.000) 7.482 1.431 ( -0.000 7.482 -0.000) 7.482 1.620 ( 0.000 -1.028 0.000) 1.028 1.620 ( -0.000 1.028 -0.000) 1.028 1.726 ( 0.000 -4.558 0.000) 4.558 1.726 ( -0.000 4.558 -0.000) 4.558 1.766 ( 0.000 -2.724 0.000) 2.724 1.766 ( -0.000 2.724 -0.000) 2.724 1.979 ( 0.000 -6.853 0.000) 6.853 1.979 ( -0.000 6.853 -0.000) 6.853 2.168 ( 0.000 -1.004 0.000) 1.004 2.168 ( -0.000 1.004 -0.000) 1.004 2.309 ( 0.000 -0.350 0.000) 0.350 2.309 ( -0.000 0.350 -0.000) 0.350 2.535 ( 0.000 -3.965 0.000) 3.965 2.535 ( -0.000 3.965 -0.000) 3.965 3.160 ( 0.000 -0.677 0.000) 0.677 3.160 ( -0.000 0.677 -0.000) 0.677 3.337 ( 0.000 -1.784 0.000) 1.784 3.337 ( -0.000 1.784 -0.000) 1.784 4.389 ( 0.000 -0.007 0.000) 0.007 4.389 ( -0.000 0.007 -0.000) 0.007 4.617 ( 0.000 -2.609 0.000) 2.609 4.617 ( -0.000 2.609 -0.000) 2.609 4.801 ( 0.000 -0.111 0.000) 0.111 4.801 ( -0.000 0.111 -0.000) 0.111 6.270 ( 0.000 -0.110 0.000) 0.110 6.270 ( -0.000 0.110 -0.000) 0.110 6.659 ( 0.000 -0.450 0.000) 0.450 6.659 ( -0.000 0.450 -0.000) 0.450 6.808 ( 0.000 -0.408 0.000) 0.408 6.808 ( -0.000 0.408 -0.000) 0.408 7.601 ( 0.000 -0.185 0.000) 0.185 7.601 ( -0.000 0.185 -0.000) 0.185 7.772 ( 0.000 -0.013 0.000) 0.013 7.772 ( -0.000 0.013 -0.000) 0.013 12.533 ( 0.000 -0.528 0.000) 0.528 12.533 ( -0.000 0.528 -0.000) 0.528 12.902 ( 0.000 -1.595 0.000) 1.595 12.902 ( -0.000 1.595 -0.000) 1.595 13.230 ( 0.000 -2.500 0.000) 2.500 13.230 ( -0.000 2.500 -0.000) 2.500 13.346 ( 0.000 -2.241 0.000) 2.241 13.346 ( -0.000 2.241 -0.000) 2.241 ======================= Grid point 562 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 -12.528 0.010) 12.528 1.058 ( -0.000 12.528 0.010) 12.528 1.266 ( 0.000 -8.729 0.862) 8.771 1.266 ( -0.000 8.729 0.862) 8.771 1.429 ( 0.000 -7.382 -0.338) 7.390 1.429 ( -0.000 7.382 -0.338) 7.390 1.634 ( -0.000 -0.952 3.087) 3.231 1.634 ( -0.000 0.952 3.087) 3.231 1.705 ( 0.000 -3.859 -4.100) 5.630 1.705 ( 0.000 3.859 -4.100) 5.630 1.777 ( 0.000 -3.020 1.850) 3.541 1.777 ( -0.000 3.020 1.850) 3.541 1.972 ( 0.000 -6.679 -1.502) 6.845 1.972 ( -0.000 6.679 -1.502) 6.845 2.174 ( -0.000 -0.804 1.415) 1.627 2.174 ( -0.000 0.804 1.415) 1.627 2.314 ( -0.000 -0.322 1.042) 1.091 2.314 ( -0.000 0.322 1.042) 1.091 2.531 ( 0.000 -3.791 -1.026) 3.928 2.531 ( -0.000 3.791 -1.026) 3.928 3.159 ( -0.000 -0.443 -0.097) 0.453 3.159 ( 0.000 0.443 -0.097) 0.453 3.336 ( 0.000 -1.680 -0.165) 1.688 3.336 ( -0.000 1.680 -0.165) 1.688 4.388 ( -0.000 -0.000 -0.052) 0.052 4.388 ( 0.000 0.000 -0.052) 0.052 4.620 ( 0.000 -2.437 0.523) 2.492 4.620 ( -0.000 2.437 0.523) 2.492 4.800 ( 0.000 -0.076 -0.283) 0.293 4.800 ( 0.000 0.076 -0.283) 0.293 6.271 ( 0.000 -0.107 0.075) 0.130 6.271 ( -0.000 0.107 0.075) 0.130 6.659 ( 0.000 -0.414 0.016) 0.415 6.659 ( -0.000 0.414 0.016) 0.415 6.808 ( 0.000 -0.370 -0.072) 0.377 6.808 ( -0.000 0.370 -0.072) 0.377 7.601 ( -0.000 -0.116 0.131) 0.175 7.601 ( 0.000 0.116 0.131) 0.175 7.772 ( -0.000 -0.004 0.006) 0.007 7.772 ( 0.000 0.004 0.006) 0.007 12.534 ( 0.000 -0.486 0.205) 0.527 12.534 ( -0.000 0.486 0.205) 0.527 12.903 ( 0.000 -1.520 0.105) 1.523 12.903 ( -0.000 1.520 0.105) 1.523 13.227 ( 0.000 -2.116 -0.509) 2.177 13.227 ( -0.000 2.116 -0.509) 2.177 13.348 ( 0.000 -2.036 0.419) 2.079 13.348 ( -0.000 2.036 0.419) 2.079 ======================= Grid point 574 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 -10.581 -0.176) 10.582 1.057 ( -0.000 10.581 -0.176) 10.582 1.277 ( 0.000 -8.137 1.598) 8.293 1.277 ( -0.000 8.137 1.598) 8.293 1.428 ( 0.000 -7.307 0.412) 7.318 1.428 ( -0.000 7.307 0.412) 7.318 1.664 ( 0.000 -4.578 -5.103) 6.856 1.664 ( 0.000 4.578 -5.103) 6.856 1.669 ( -0.000 -1.782 4.397) 4.744 1.669 ( -0.000 1.782 4.397) 4.744 1.791 ( 0.000 -2.991 1.287) 3.256 1.791 ( -0.000 2.991 1.287) 3.256 1.955 ( 0.000 -6.129 -2.298) 6.545 1.955 ( -0.000 6.129 -2.298) 6.545 2.189 ( -0.000 -0.606 1.969) 2.061 2.189 ( -0.000 0.606 1.969) 2.061 2.326 ( -0.000 -0.212 1.891) 1.903 2.326 ( -0.000 0.212 1.891) 1.903 2.518 ( 0.000 -3.272 -1.887) 3.777 2.518 ( -0.000 3.272 -1.887) 3.777 3.158 ( -0.000 -0.199 -0.160) 0.255 3.158 ( 0.000 0.199 -0.160) 0.255 3.335 ( 0.000 -1.387 -0.263) 1.412 3.335 ( -0.000 1.387 -0.263) 1.412 4.388 ( -0.000 -0.000 -0.080) 0.080 4.388 ( 0.000 0.000 -0.080) 0.080 4.626 ( -0.000 -1.944 0.865) 2.128 4.626 ( -0.000 1.944 0.865) 2.128 4.797 ( 0.000 -0.052 -0.479) 0.482 4.797 ( 0.000 0.052 -0.479) 0.482 6.271 ( -0.000 -0.093 0.120) 0.152 6.271 ( -0.000 0.093 0.120) 0.152 6.659 ( 0.000 -0.315 0.025) 0.316 6.659 ( -0.000 0.315 0.025) 0.316 6.807 ( 0.000 -0.270 -0.116) 0.294 6.807 ( -0.000 0.270 -0.116) 0.294 7.603 ( -0.000 -0.043 0.209) 0.214 7.603 ( 0.000 0.043 0.209) 0.214 7.772 ( -0.000 -0.001 0.009) 0.009 7.772 ( 0.000 0.001 0.009) 0.009 12.536 ( -0.000 -0.370 0.333) 0.498 12.536 ( -0.000 0.370 0.333) 0.498 12.904 ( 0.000 -1.298 0.161) 1.308 12.904 ( -0.000 1.298 0.161) 1.308 13.222 ( -0.000 -1.339 -0.751) 1.535 13.222 ( 0.000 1.339 -0.751) 1.535 13.353 ( 0.000 -1.543 0.617) 1.662 13.353 ( -0.000 1.543 0.617) 1.662 ======================= Grid point 587 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 -7.534 -0.379) 7.544 1.055 ( -0.000 7.534 -0.379) 7.544 1.292 ( 0.000 -6.534 1.734) 6.760 1.292 ( -0.000 6.534 1.734) 6.760 1.438 ( 0.000 -7.108 2.141) 7.424 1.438 ( -0.000 7.108 2.141) 7.424 1.614 ( 0.000 -3.647 -6.254) 7.240 1.614 ( 0.000 3.647 -6.254) 7.240 1.711 ( -0.000 -0.377 5.062) 5.076 1.711 ( -0.000 0.377 5.062) 5.076 1.799 ( 0.000 -2.481 0.471) 2.525 1.799 ( -0.000 2.481 0.471) 2.525 1.935 ( 0.000 -4.899 -2.373) 5.444 1.935 ( -0.000 4.899 -2.373) 5.444 2.205 ( -0.000 -0.402 1.690) 1.737 2.205 ( 0.000 0.402 1.690) 1.737 2.344 ( -0.000 -0.070 2.323) 2.324 2.344 ( -0.000 0.070 2.323) 2.324 2.500 ( 0.000 -2.410 -2.341) 3.360 2.500 ( 0.000 2.410 -2.341) 3.360 3.157 ( -0.000 -0.072 -0.164) 0.179 3.157 ( 0.000 0.072 -0.164) 0.179 3.332 ( 0.000 -0.955 -0.259) 0.989 3.332 ( -0.000 0.955 -0.259) 0.989 4.387 ( -0.000 -0.000 -0.076) 0.076 4.387 ( 0.000 0.000 -0.076) 0.076 4.633 ( -0.000 -1.201 0.895) 1.497 4.633 ( 0.000 1.201 0.895) 1.497 4.793 ( -0.000 -0.036 -0.512) 0.513 4.793 ( 0.000 0.036 -0.512) 0.513 6.272 ( -0.000 -0.065 0.118) 0.135 6.272 ( -0.000 0.065 0.118) 0.135 6.659 ( -0.000 -0.179 0.025) 0.180 6.659 ( 0.000 0.179 0.025) 0.180 6.806 ( -0.000 -0.144 -0.115) 0.184 6.806 ( 0.000 0.144 -0.115) 0.184 7.605 ( -0.000 -0.012 0.207) 0.207 7.605 ( 0.000 0.012 0.207) 0.207 7.772 ( -0.000 -0.001 0.009) 0.009 7.772 ( 0.000 0.001 0.009) 0.009 12.539 ( -0.000 -0.210 0.334) 0.394 12.539 ( 0.000 0.210 0.334) 0.394 12.905 ( 0.000 -0.940 0.150) 0.952 12.905 ( -0.000 0.940 0.150) 0.952 13.216 ( -0.000 -0.632 -0.679) 0.927 13.216 ( 0.000 0.632 -0.679) 0.927 13.358 ( 0.000 -0.944 0.558) 1.096 13.358 ( -0.000 0.944 0.558) 1.096 ======================= Grid point 600 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 -3.832 -0.317) 3.845 1.052 ( -0.000 3.832 -0.317) 3.845 1.304 ( 0.000 -3.396 1.047) 3.553 1.304 ( -0.000 3.396 1.047) 3.554 1.465 ( 0.000 -6.242 4.206) 7.527 1.465 ( -0.000 6.242 4.206) 7.527 1.560 ( 0.000 -4.069 -6.381) 7.568 1.560 ( 0.000 4.069 -6.381) 7.568 1.750 ( -0.000 -0.114 3.980) 3.982 1.750 ( -0.000 0.114 3.980) 3.982 1.799 ( -0.000 -1.352 -0.508) 1.444 1.799 ( 0.000 1.352 -0.508) 1.444 1.917 ( -0.000 -2.419 -1.667) 2.938 1.917 ( 0.000 2.419 -1.667) 2.938 2.216 ( -0.000 -0.142 0.937) 0.948 2.216 ( 0.000 0.142 0.937) 0.948 2.363 ( -0.000 -0.004 1.889) 1.889 2.363 ( -0.000 0.004 1.889) 1.889 2.481 ( 0.000 -1.185 -1.911) 2.249 2.481 ( 0.000 1.185 -1.911) 2.249 3.156 ( -0.000 -0.016 -0.104) 0.105 3.156 ( 0.000 0.016 -0.104) 0.105 3.330 ( 0.000 -0.431 -0.158) 0.459 3.330 ( -0.000 0.431 -0.158) 0.459 4.387 ( -0.000 -0.000 -0.045) 0.045 4.387 ( 0.000 0.000 -0.045) 0.045 4.640 ( -0.000 -0.396 0.572) 0.695 4.640 ( 0.000 0.396 0.572) 0.695 4.789 ( -0.000 -0.015 -0.337) 0.337 4.789 ( 0.000 0.015 -0.337) 0.337 6.273 ( -0.000 -0.024 0.072) 0.076 6.273 ( 0.000 0.024 0.072) 0.076 6.659 ( -0.000 -0.053 0.015) 0.055 6.659 ( 0.000 0.053 0.015) 0.055 6.805 ( -0.000 -0.040 -0.071) 0.081 6.805 ( 0.000 0.040 -0.071) 0.081 7.606 ( -0.000 -0.002 0.126) 0.126 7.606 ( 0.000 0.002 0.126) 0.126 7.772 ( -0.000 -0.000 0.006) 0.006 7.772 ( 0.000 0.000 0.006) 0.006 12.541 ( -0.000 -0.062 0.207) 0.216 12.541 ( 0.000 0.062 0.207) 0.216 12.906 ( 0.000 -0.469 0.086) 0.477 12.906 ( -0.000 0.469 0.086) 0.477 13.211 ( -0.000 -0.164 -0.389) 0.422 13.211 ( 0.000 0.164 -0.389) 0.422 13.362 ( -0.000 -0.339 0.321) 0.467 13.362 ( 0.000 0.339 0.321) 0.467 ======================= Grid point 602 (171/171) ======================= q-point: ( 0.00 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.000 0.000 0.000) 0.000 1.050 ( 0.000 0.000 0.000) 0.000 1.308 ( -0.000 0.000 -0.000) 0.000 1.308 ( 0.000 0.000 -0.000) 0.000 1.507 ( -0.000 0.000 -0.000) 0.000 1.507 ( 0.000 0.000 -0.000) 0.000 1.509 ( -0.000 -0.000 0.000) 0.000 1.509 ( 0.000 -0.000 0.000) 0.000 1.771 ( -0.000 0.000 -0.000) 0.000 1.771 ( 0.000 0.000 -0.000) 0.000 1.793 ( -0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.910 ( -0.000 0.000 -0.000) 0.000 1.910 ( 0.000 0.000 -0.000) 0.000 2.221 ( -0.000 0.000 -0.000) 0.000 2.221 ( 0.000 0.000 -0.000) 0.000 2.372 ( -0.000 0.000 -0.000) 0.000 2.372 ( 0.000 0.000 -0.000) 0.000 2.472 ( -0.000 0.000 -0.000) 0.000 2.472 ( 0.000 0.000 -0.000) 0.000 3.155 ( -0.000 0.000 -0.000) 0.000 3.155 ( 0.000 0.000 -0.000) 0.000 3.330 ( -0.000 0.000 -0.000) 0.000 3.330 ( 0.000 0.000 -0.000) 0.000 4.386 ( -0.000 0.000 -0.000) 0.000 4.386 ( 0.000 0.000 -0.000) 0.000 4.642 ( -0.000 0.000 -0.000) 0.000 4.642 ( 0.000 0.000 -0.000) 0.000 4.787 ( -0.000 0.000 -0.000) 0.000 4.787 ( 0.000 0.000 -0.000) 0.000 6.274 ( -0.000 0.000 -0.000) 0.000 6.274 ( 0.000 0.000 -0.000) 0.000 6.660 ( -0.000 0.000 -0.000) 0.000 6.660 ( 0.000 0.000 -0.000) 0.000 6.805 ( -0.000 0.000 -0.000) 0.000 6.805 ( 0.000 0.000 -0.000) 0.000 7.607 ( -0.000 0.000 -0.000) 0.000 7.607 ( 0.000 0.000 -0.000) 0.000 7.772 ( -0.000 0.000 -0.000) 0.000 7.772 ( 0.000 0.000 -0.000) 0.000 12.542 ( -0.000 0.000 -0.000) 0.000 12.542 ( 0.000 0.000 -0.000) 0.000 12.907 ( -0.000 0.000 -0.000) 0.000 12.907 ( 0.000 0.000 -0.000) 0.000 13.209 ( -0.000 0.000 -0.000) 0.000 13.209 ( 0.000 0.000 -0.000) 0.000 13.363 ( -0.000 0.000 -0.000) 0.000 13.363 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/48000 10.0 61.275 76.528 68.331 0.000 -0.000 -0.000 3/48000 20.0 19.202 12.692 9.554 0.000 -0.000 -0.000 3/48000 30.0 11.295 5.951 4.362 0.000 -0.000 -0.000 3/48000 40.0 8.755 3.860 2.816 0.000 -0.000 0.000 3/48000 50.0 7.522 2.868 2.090 0.000 -0.000 0.000 3/48000 60.0 6.732 2.288 1.668 0.000 -0.000 0.000 3/48000 70.0 6.133 1.908 1.391 0.000 -0.000 0.000 3/48000 80.0 5.637 1.638 1.195 0.000 -0.000 0.000 3/48000 90.0 5.211 1.437 1.048 0.000 -0.000 0.000 3/48000 100.0 4.837 1.281 0.935 0.000 -0.000 0.000 3/48000 110.0 4.507 1.156 0.844 0.000 -0.000 0.000 3/48000 120.0 4.215 1.055 0.770 0.000 -0.000 0.000 3/48000 130.0 3.954 0.970 0.709 0.000 -0.000 0.000 3/48000 140.0 3.720 0.899 0.657 0.000 -0.000 0.000 3/48000 150.0 3.510 0.838 0.612 0.000 -0.000 0.000 3/48000 160.0 3.321 0.785 0.573 0.000 -0.000 0.000 3/48000 170.0 3.150 0.739 0.539 0.000 -0.000 0.000 3/48000 180.0 2.995 0.698 0.509 0.000 -0.000 0.000 3/48000 190.0 2.854 0.661 0.483 0.000 -0.000 0.000 3/48000 200.0 2.725 0.628 0.459 0.000 -0.000 0.000 3/48000 210.0 2.606 0.599 0.437 0.000 -0.000 0.000 3/48000 220.0 2.497 0.572 0.418 0.000 -0.000 0.000 3/48000 230.0 2.397 0.548 0.400 0.000 -0.000 0.000 3/48000 240.0 2.304 0.525 0.383 0.000 -0.000 0.000 3/48000 250.0 2.218 0.505 0.368 0.000 -0.000 0.000 3/48000 260.0 2.137 0.486 0.354 0.000 -0.000 0.000 3/48000 270.0 2.063 0.468 0.342 0.000 -0.000 0.000 3/48000 280.0 1.993 0.452 0.330 0.000 -0.000 0.000 3/48000 290.0 1.928 0.437 0.319 0.000 -0.000 0.000 3/48000 300.0 1.867 0.423 0.308 0.000 -0.000 0.000 3/48000 310.0 1.809 0.410 0.299 0.000 -0.000 0.000 3/48000 320.0 1.755 0.397 0.289 0.000 -0.000 0.000 3/48000 330.0 1.704 0.386 0.281 0.000 -0.000 0.000 3/48000 340.0 1.656 0.375 0.273 0.000 -0.000 0.000 3/48000 350.0 1.610 0.364 0.265 0.000 -0.000 0.000 3/48000 360.0 1.567 0.354 0.258 0.000 -0.000 0.000 3/48000 370.0 1.526 0.345 0.251 0.000 -0.000 0.000 3/48000 380.0 1.487 0.336 0.245 0.000 -0.000 0.000 3/48000 390.0 1.450 0.328 0.239 0.000 -0.000 0.000 3/48000 400.0 1.415 0.320 0.233 0.000 -0.000 0.000 3/48000 410.0 1.382 0.313 0.227 0.000 -0.000 0.000 3/48000 420.0 1.350 0.305 0.222 0.000 -0.000 0.000 3/48000 430.0 1.319 0.298 0.217 0.000 -0.000 0.000 3/48000 440.0 1.290 0.292 0.212 0.000 -0.000 0.000 3/48000 450.0 1.262 0.286 0.208 0.000 -0.000 0.000 3/48000 460.0 1.235 0.280 0.203 0.000 -0.000 0.000 3/48000 470.0 1.210 0.274 0.199 0.000 -0.000 0.000 3/48000 480.0 1.185 0.268 0.195 0.000 -0.000 0.000 3/48000 490.0 1.161 0.263 0.191 0.000 -0.000 0.000 3/48000 500.0 1.139 0.258 0.187 0.000 -0.000 0.000 3/48000 510.0 1.117 0.253 0.184 0.000 -0.000 0.000 3/48000 520.0 1.096 0.248 0.180 0.000 -0.000 0.000 3/48000 530.0 1.075 0.244 0.177 0.000 -0.000 0.000 3/48000 540.0 1.056 0.239 0.174 0.000 -0.000 0.000 3/48000 550.0 1.037 0.235 0.171 0.000 -0.000 0.000 3/48000 560.0 1.019 0.231 0.168 0.000 -0.000 0.000 3/48000 570.0 1.001 0.227 0.165 0.000 -0.000 0.000 3/48000 580.0 0.984 0.223 0.162 0.000 -0.000 0.000 3/48000 590.0 0.968 0.220 0.160 0.000 -0.000 0.000 3/48000 600.0 0.952 0.216 0.157 0.000 -0.000 0.000 3/48000 610.0 0.937 0.213 0.154 0.000 -0.000 0.000 3/48000 620.0 0.922 0.209 0.152 0.000 -0.000 0.000 3/48000 630.0 0.907 0.206 0.150 0.000 -0.000 0.000 3/48000 640.0 0.893 0.203 0.147 0.000 -0.000 0.000 3/48000 650.0 0.880 0.200 0.145 0.000 -0.000 0.000 3/48000 660.0 0.867 0.197 0.143 0.000 -0.000 0.000 3/48000 670.0 0.854 0.194 0.141 0.000 -0.000 0.000 3/48000 680.0 0.842 0.191 0.139 0.000 -0.000 0.000 3/48000 690.0 0.830 0.189 0.137 0.000 -0.000 0.000 3/48000 700.0 0.818 0.186 0.135 0.000 -0.000 0.000 3/48000 710.0 0.806 0.184 0.133 0.000 -0.000 0.000 3/48000 720.0 0.795 0.181 0.131 0.000 -0.000 0.000 3/48000 730.0 0.785 0.179 0.130 0.000 -0.000 0.000 3/48000 740.0 0.774 0.176 0.128 0.000 -0.000 0.000 3/48000 750.0 0.764 0.174 0.126 0.000 -0.000 0.000 3/48000 760.0 0.754 0.172 0.125 0.000 -0.000 0.000 3/48000 770.0 0.744 0.170 0.123 0.000 -0.000 0.000 3/48000 780.0 0.735 0.167 0.121 0.000 -0.000 0.000 3/48000 790.0 0.726 0.165 0.120 0.000 -0.000 0.000 3/48000 800.0 0.717 0.163 0.118 0.000 -0.000 0.000 3/48000 810.0 0.708 0.161 0.117 0.000 -0.000 0.000 3/48000 820.0 0.699 0.160 0.116 0.000 -0.000 0.000 3/48000 830.0 0.691 0.158 0.114 0.000 -0.000 0.000 3/48000 840.0 0.683 0.156 0.113 0.000 -0.000 0.000 3/48000 850.0 0.675 0.154 0.112 0.000 -0.000 0.000 3/48000 860.0 0.667 0.152 0.110 0.000 -0.000 0.000 3/48000 870.0 0.660 0.151 0.109 0.000 -0.000 0.000 3/48000 880.0 0.652 0.149 0.108 0.000 -0.000 0.000 3/48000 890.0 0.645 0.147 0.107 0.000 -0.000 0.000 3/48000 900.0 0.638 0.146 0.106 0.000 -0.000 0.000 3/48000 910.0 0.631 0.144 0.104 0.000 -0.000 0.000 3/48000 920.0 0.624 0.143 0.103 0.000 -0.000 0.000 3/48000 930.0 0.617 0.141 0.102 0.000 -0.000 0.000 3/48000 940.0 0.611 0.140 0.101 0.000 -0.000 0.000 3/48000 950.0 0.605 0.138 0.100 0.000 -0.000 0.000 3/48000 960.0 0.598 0.137 0.099 0.000 -0.000 0.000 3/48000 970.0 0.592 0.135 0.098 0.000 -0.000 0.000 3/48000 980.0 0.586 0.134 0.097 0.000 -0.000 0.000 3/48000 990.0 0.580 0.133 0.096 0.000 -0.000 0.000 3/48000 1000.0 0.575 0.131 0.095 0.000 -0.000 0.000 3/48000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:18:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|