----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:38:04]------------------------- 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 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.950527577222007 0.000000000000000 0.000000000000000 b -2.475263788611004 4.287282644009688 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393207770000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 *3 F 0.97283035020662 0.62966022582580 0.14015502360543 18.998 4 F 0.65682987561919 0.02716964979339 0.14015502360543 18.998 5 F 0.62966022582580 0.97283035020662 0.64015502360543 18.998 6 F 0.34317012438081 0.37033977417420 0.64015502360543 18.998 7 F 0.02716964979339 0.65682987561919 0.64015502360543 18.998 8 F 0.62966022582580 0.65682987561919 0.85984497639457 18.998 9 F 0.34317012438081 0.97283035020662 0.85984497639457 18.998 10 F 0.02716964979339 0.37033977417420 0.85984497639457 18.998 11 F 0.37033977417420 0.02716964979339 0.35984497639457 18.998 12 F 0.65682987561919 0.62966022582580 0.35984497639457 18.998 13 F 0.97283035020662 0.34317012438081 0.35984497639457 18.998 14 F 0.37033977417420 0.34317012438081 0.14015502360543 18.998 *15 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 16 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 *17 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 18 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.950527577222007 0.000000000000000 0.000000000000000 b -2.475263788611004 4.287282644009688 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393207770000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 > 2 *3 F 0.97283035020662 0.62966022582580 0.14015502360543 18.998 > 3 4 F 0.65682987561919 0.02716964979339 0.14015502360543 18.998 > 4 5 F 0.62966022582580 0.97283035020662 0.64015502360543 18.998 > 5 6 F 0.34317012438081 0.37033977417420 0.64015502360543 18.998 > 6 7 F 0.02716964979339 0.65682987561919 0.64015502360543 18.998 > 7 8 F 0.62966022582580 0.65682987561919 0.85984497639457 18.998 > 8 9 F 0.34317012438081 0.97283035020662 0.85984497639457 18.998 > 9 10 F 0.02716964979339 0.37033977417420 0.85984497639457 18.998 > 10 11 F 0.37033977417420 0.02716964979339 0.35984497639457 18.998 > 11 12 F 0.65682987561919 0.62966022582580 0.35984497639457 18.998 > 12 13 F 0.97283035020662 0.34317012438081 0.35984497639457 18.998 > 13 14 F 0.37033977417420 0.34317012438081 0.14015502360543 18.998 > 14 *15 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 > 15 16 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 > 16 *17 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 17 18 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.901055154444014 0.000000000000000 0.000000000000000 b -4.950527577222008 8.574565288019375 0.000000000000000 c 0.000000000000000 0.000000000000000 18.786415540000000 Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.12500000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.12500000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.12500000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.12500000000000 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.62500000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.62500000000000 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.62500000000000 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.62500000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.37500000000000 6.941 > 2 10 Li 0.83333333333333 0.16666666666667 0.37500000000000 6.941 > 2 11 Li 0.33333333333333 0.66666666666667 0.37500000000000 6.941 > 2 12 Li 0.83333333333333 0.66666666666667 0.37500000000000 6.941 > 2 13 Li 0.33333333333333 0.16666666666667 0.87500000000000 6.941 > 2 14 Li 0.83333333333333 0.16666666666667 0.87500000000000 6.941 > 2 15 Li 0.33333333333333 0.66666666666667 0.87500000000000 6.941 > 2 16 Li 0.83333333333333 0.66666666666667 0.87500000000000 6.941 > 2 *17 F 0.48641517510331 0.31483011291290 0.07007751180272 18.998 > 3 18 F 0.98641517510331 0.31483011291290 0.07007751180272 18.998 > 3 19 F 0.48641517510331 0.81483011291290 0.07007751180272 18.998 > 3 20 F 0.98641517510331 0.81483011291290 0.07007751180272 18.998 > 3 21 F 0.48641517510331 0.31483011291290 0.57007751180272 18.998 > 3 22 F 0.98641517510331 0.31483011291290 0.57007751180272 18.998 > 3 23 F 0.48641517510331 0.81483011291290 0.57007751180272 18.998 > 3 24 F 0.98641517510331 0.81483011291290 0.57007751180272 18.998 > 3 25 F 0.32841493780959 0.01358482489669 0.07007751180272 18.998 > 4 26 F 0.82841493780959 0.01358482489669 0.07007751180272 18.998 > 4 27 F 0.32841493780959 0.51358482489669 0.07007751180272 18.998 > 4 28 F 0.82841493780959 0.51358482489669 0.07007751180272 18.998 > 4 29 F 0.32841493780959 0.01358482489669 0.57007751180272 18.998 > 4 30 F 0.82841493780959 0.01358482489669 0.57007751180272 18.998 > 4 31 F 0.32841493780959 0.51358482489669 0.57007751180272 18.998 > 4 32 F 0.82841493780959 0.51358482489669 0.57007751180272 18.998 > 4 33 F 0.31483011291290 0.48641517510331 0.32007751180272 18.998 > 5 34 F 0.81483011291290 0.48641517510331 0.32007751180272 18.998 > 5 35 F 0.31483011291290 0.98641517510331 0.32007751180272 18.998 > 5 36 F 0.81483011291290 0.98641517510331 0.32007751180272 18.998 > 5 37 F 0.31483011291290 0.48641517510331 0.82007751180272 18.998 > 5 38 F 0.81483011291290 0.48641517510331 0.82007751180272 18.998 > 5 39 F 0.31483011291290 0.98641517510331 0.82007751180272 18.998 > 5 40 F 0.81483011291290 0.98641517510331 0.82007751180272 18.998 > 5 41 F 0.17158506219041 0.18516988708710 0.32007751180272 18.998 > 6 42 F 0.67158506219041 0.18516988708710 0.32007751180272 18.998 > 6 43 F 0.17158506219041 0.68516988708710 0.32007751180272 18.998 > 6 44 F 0.67158506219041 0.68516988708710 0.32007751180272 18.998 > 6 45 F 0.17158506219041 0.18516988708710 0.82007751180272 18.998 > 6 46 F 0.67158506219041 0.18516988708710 0.82007751180272 18.998 > 6 47 F 0.17158506219041 0.68516988708710 0.82007751180272 18.998 > 6 48 F 0.67158506219041 0.68516988708710 0.82007751180272 18.998 > 6 49 F 0.01358482489669 0.32841493780959 0.32007751180272 18.998 > 7 50 F 0.51358482489669 0.32841493780959 0.32007751180272 18.998 > 7 51 F 0.01358482489669 0.82841493780959 0.32007751180272 18.998 > 7 52 F 0.51358482489669 0.82841493780959 0.32007751180272 18.998 > 7 53 F 0.01358482489669 0.32841493780959 0.82007751180272 18.998 > 7 54 F 0.51358482489669 0.32841493780959 0.82007751180272 18.998 > 7 55 F 0.01358482489669 0.82841493780959 0.82007751180272 18.998 > 7 56 F 0.51358482489669 0.82841493780959 0.82007751180272 18.998 > 7 57 F 0.31483011291290 0.32841493780959 0.42992248819728 18.998 > 8 58 F 0.81483011291290 0.32841493780959 0.42992248819728 18.998 > 8 59 F 0.31483011291290 0.82841493780959 0.42992248819728 18.998 > 8 60 F 0.81483011291290 0.82841493780959 0.42992248819728 18.998 > 8 61 F 0.31483011291290 0.32841493780959 0.92992248819728 18.998 > 8 62 F 0.81483011291290 0.32841493780959 0.92992248819728 18.998 > 8 63 F 0.31483011291290 0.82841493780959 0.92992248819728 18.998 > 8 64 F 0.81483011291290 0.82841493780959 0.92992248819728 18.998 > 8 65 F 0.17158506219041 0.48641517510331 0.42992248819728 18.998 > 9 66 F 0.67158506219041 0.48641517510331 0.42992248819728 18.998 > 9 67 F 0.17158506219041 0.98641517510331 0.42992248819728 18.998 > 9 68 F 0.67158506219041 0.98641517510331 0.42992248819728 18.998 > 9 69 F 0.17158506219041 0.48641517510331 0.92992248819728 18.998 > 9 70 F 0.67158506219041 0.48641517510331 0.92992248819728 18.998 > 9 71 F 0.17158506219041 0.98641517510331 0.92992248819728 18.998 > 9 72 F 0.67158506219041 0.98641517510331 0.92992248819728 18.998 > 9 73 F 0.01358482489669 0.18516988708710 0.42992248819728 18.998 > 10 74 F 0.51358482489669 0.18516988708710 0.42992248819728 18.998 > 10 75 F 0.01358482489669 0.68516988708710 0.42992248819728 18.998 > 10 76 F 0.51358482489669 0.68516988708710 0.42992248819728 18.998 > 10 77 F 0.01358482489669 0.18516988708710 0.92992248819728 18.998 > 10 78 F 0.51358482489669 0.18516988708710 0.92992248819728 18.998 > 10 79 F 0.01358482489669 0.68516988708710 0.92992248819728 18.998 > 10 80 F 0.51358482489669 0.68516988708710 0.92992248819728 18.998 > 10 81 F 0.18516988708710 0.01358482489669 0.17992248819728 18.998 > 11 82 F 0.68516988708710 0.01358482489669 0.17992248819728 18.998 > 11 83 F 0.18516988708710 0.51358482489669 0.17992248819728 18.998 > 11 84 F 0.68516988708710 0.51358482489669 0.17992248819728 18.998 > 11 85 F 0.18516988708710 0.01358482489669 0.67992248819728 18.998 > 11 86 F 0.68516988708710 0.01358482489669 0.67992248819728 18.998 > 11 87 F 0.18516988708710 0.51358482489669 0.67992248819728 18.998 > 11 88 F 0.68516988708710 0.51358482489669 0.67992248819728 18.998 > 11 89 F 0.32841493780959 0.31483011291290 0.17992248819728 18.998 > 12 90 F 0.82841493780959 0.31483011291290 0.17992248819728 18.998 > 12 91 F 0.32841493780959 0.81483011291290 0.17992248819728 18.998 > 12 92 F 0.82841493780959 0.81483011291290 0.17992248819728 18.998 > 12 93 F 0.32841493780959 0.31483011291290 0.67992248819728 18.998 > 12 94 F 0.82841493780959 0.31483011291290 0.67992248819728 18.998 > 12 95 F 0.32841493780959 0.81483011291290 0.67992248819728 18.998 > 12 96 F 0.82841493780959 0.81483011291290 0.67992248819728 18.998 > 12 97 F 0.48641517510331 0.17158506219041 0.17992248819728 18.998 > 13 98 F 0.98641517510331 0.17158506219041 0.17992248819728 18.998 > 13 99 F 0.48641517510331 0.67158506219041 0.17992248819728 18.998 > 13 100 F 0.98641517510331 0.67158506219041 0.17992248819728 18.998 > 13 101 F 0.48641517510331 0.17158506219041 0.67992248819728 18.998 > 13 102 F 0.98641517510331 0.17158506219041 0.67992248819728 18.998 > 13 103 F 0.48641517510331 0.67158506219041 0.67992248819728 18.998 > 13 104 F 0.98641517510331 0.67158506219041 0.67992248819728 18.998 > 13 105 F 0.18516988708710 0.17158506219041 0.07007751180272 18.998 > 14 106 F 0.68516988708710 0.17158506219041 0.07007751180272 18.998 > 14 107 F 0.18516988708710 0.67158506219041 0.07007751180272 18.998 > 14 108 F 0.68516988708710 0.67158506219041 0.07007751180272 18.998 > 14 109 F 0.18516988708710 0.17158506219041 0.57007751180272 18.998 > 14 110 F 0.68516988708710 0.17158506219041 0.57007751180272 18.998 > 14 111 F 0.18516988708710 0.67158506219041 0.57007751180272 18.998 > 14 112 F 0.68516988708710 0.67158506219041 0.57007751180272 18.998 > 14 *113 Al 0.33333333333333 0.16666666666667 0.12500000000000 26.982 > 15 114 Al 0.83333333333333 0.16666666666667 0.12500000000000 26.982 > 15 115 Al 0.33333333333333 0.66666666666667 0.12500000000000 26.982 > 15 116 Al 0.83333333333333 0.66666666666667 0.12500000000000 26.982 > 15 117 Al 0.33333333333333 0.16666666666667 0.62500000000000 26.982 > 15 118 Al 0.83333333333333 0.16666666666667 0.62500000000000 26.982 > 15 119 Al 0.33333333333333 0.66666666666667 0.62500000000000 26.982 > 15 120 Al 0.83333333333333 0.66666666666667 0.62500000000000 26.982 > 15 121 Al 0.16666666666667 0.33333333333333 0.37500000000000 26.982 > 16 122 Al 0.66666666666667 0.33333333333333 0.37500000000000 26.982 > 16 123 Al 0.16666666666667 0.83333333333333 0.37500000000000 26.982 > 16 124 Al 0.66666666666667 0.83333333333333 0.37500000000000 26.982 > 16 125 Al 0.16666666666667 0.33333333333333 0.87500000000000 26.982 > 16 126 Al 0.66666666666667 0.33333333333333 0.87500000000000 26.982 > 16 127 Al 0.16666666666667 0.83333333333333 0.87500000000000 26.982 > 16 128 Al 0.66666666666667 0.83333333333333 0.87500000000000 26.982 > 16 *129 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 17 130 Yb 0.50000000000000 0.00000000000000 0.25000000000000 173.054 > 17 131 Yb 0.00000000000000 0.50000000000000 0.25000000000000 173.054 > 17 132 Yb 0.50000000000000 0.50000000000000 0.25000000000000 173.054 > 17 133 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 17 134 Yb 0.50000000000000 0.00000000000000 0.75000000000000 173.054 > 17 135 Yb 0.00000000000000 0.50000000000000 0.75000000000000 173.054 > 17 136 Yb 0.50000000000000 0.50000000000000 0.75000000000000 173.054 > 17 137 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 > 18 138 Yb 0.50000000000000 0.00000000000000 0.00000000000000 173.054 > 18 139 Yb 0.00000000000000 0.50000000000000 0.00000000000000 173.054 > 18 140 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 18 141 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 18 142 Yb 0.50000000000000 0.00000000000000 0.50000000000000 173.054 > 18 143 Yb 0.00000000000000 0.50000000000000 0.50000000000000 173.054 > 18 144 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1192853 0.0000000 0.0000000 -0.0000000 2.1192853 0.0000000 0.0000000 0.0000000 2.1189337 -------------------------- Born effective charges -------------------------- 1 Li 1.1109416 0.0000000 0.0000000 -0.0000000 1.1109416 0.0000000 0.0000000 0.0000000 0.9633903 2 Li 1.1109416 0.0000000 0.0000000 -0.0000000 1.1109416 0.0000000 0.0000000 0.0000000 0.9633903 3 F -0.9302120 -0.0021376 -0.0523428 -0.0144677 -1.1914275 0.3501564 -0.0468338 0.3456312 -1.0546075 4 F -1.1189333 0.1234260 0.3294157 0.1110958 -1.0027062 -0.1297480 0.3227423 -0.1322564 -1.0546075 5 F -1.1189333 -0.1234260 0.3294157 -0.1110958 -1.0027062 0.1297480 0.3227423 0.1322564 -1.0546075 6 F -0.9302120 0.0021376 -0.0523428 0.0144677 -1.1914275 -0.3501564 -0.0468338 -0.3456312 -1.0546075 7 F -1.1333139 0.1027932 -0.2770729 0.1151234 -0.9883256 0.2204084 -0.2759086 0.2133749 -1.0546075 8 F -1.1333139 -0.1027932 -0.2770729 -0.1151234 -0.9883256 -0.2204084 -0.2759086 -0.2133749 -1.0546075 9 F -1.1189333 0.1234260 0.3294157 0.1110958 -1.0027062 -0.1297480 0.3227423 -0.1322564 -1.0546075 10 F -0.9302120 -0.0021376 -0.0523428 -0.0144677 -1.1914275 0.3501564 -0.0468338 0.3456312 -1.0546075 11 F -1.1189333 -0.1234260 0.3294157 -0.1110958 -1.0027062 0.1297480 0.3227423 0.1322564 -1.0546075 12 F -0.9302120 0.0021376 -0.0523428 0.0144677 -1.1914275 -0.3501564 -0.0468338 -0.3456312 -1.0546075 13 F -1.1333139 0.1027932 -0.2770729 0.1151234 -0.9883256 0.2204084 -0.2759086 0.2133749 -1.0546075 14 F -1.1333139 -0.1027932 -0.2770729 -0.1151234 -0.9883256 -0.2204084 -0.2759086 -0.2133749 -1.0546075 15 Al 2.8474506 0.0000000 0.0000000 -0.0000000 2.8474506 0.0000000 0.0000000 0.0000000 2.7918042 16 Al 2.8474506 0.0000000 0.0000000 -0.0000000 2.8474506 0.0000000 0.0000000 0.0000000 2.7918042 17 Yb 2.4065262 -0.0595255 0.0000000 0.0595255 2.4065262 0.0000000 0.0000000 0.0000000 2.5724502 18 Yb 2.4065262 0.0595255 0.0000000 -0.0595255 2.4065262 0.0000000 0.0000000 0.0000000 2.5724502 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1045 Number of blocks in projector: 507 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 481 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (1045, 1029), data: False |-- (142, 138), data: True |-- (422, 418), data: True |-- (481, 473), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.021 Solver_block: 100 / 240 - Time: 1.548 Solver_block: 200 / 240 - Time: 1.514 Solver_block: 240 / 240 - Time: 0.666 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.767 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1045 Number of blocks in projector: 507 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 481 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (1045, 1029), data: False |-- (142, 138), data: True |-- (422, 418), data: True |-- (481, 473), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:38:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:38:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.950527577222007 0.000000000000000 0.000000000000000 b -2.475263788611004 4.287282644009688 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393207770000000 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 3 F 0.97283035020662 0.62966022582580 0.14015502360543 18.998 4 F 0.65682987561919 0.02716964979339 0.14015502360543 18.998 5 F 0.62966022582580 0.97283035020662 0.64015502360543 18.998 6 F 0.34317012438081 0.37033977417420 0.64015502360543 18.998 7 F 0.02716964979339 0.65682987561919 0.64015502360543 18.998 8 F 0.62966022582580 0.65682987561919 0.85984497639457 18.998 9 F 0.34317012438081 0.97283035020662 0.85984497639457 18.998 10 F 0.02716964979339 0.37033977417420 0.85984497639457 18.998 11 F 0.37033977417420 0.02716964979339 0.35984497639457 18.998 12 F 0.65682987561919 0.62966022582580 0.35984497639457 18.998 13 F 0.97283035020662 0.34317012438081 0.35984497639457 18.998 14 F 0.37033977417420 0.34317012438081 0.14015502360543 18.998 15 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 16 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 17 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 18 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.901055154444014 0.000000000000000 0.000000000000000 b -4.950527577222008 8.574565288019375 0.000000000000000 c 0.000000000000000 0.000000000000000 18.786415540000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.12500000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.12500000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.12500000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.12500000000000 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.62500000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.62500000000000 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.62500000000000 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.62500000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.37500000000000 6.941 > 9 10 Li 0.83333333333333 0.16666666666667 0.37500000000000 6.941 > 9 11 Li 0.33333333333333 0.66666666666667 0.37500000000000 6.941 > 9 12 Li 0.83333333333333 0.66666666666667 0.37500000000000 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.87500000000000 6.941 > 9 14 Li 0.83333333333333 0.16666666666667 0.87500000000000 6.941 > 9 15 Li 0.33333333333333 0.66666666666667 0.87500000000000 6.941 > 9 16 Li 0.83333333333333 0.66666666666667 0.87500000000000 6.941 > 9 17 F 0.48641517510331 0.31483011291290 0.07007751180272 18.998 > 17 18 F 0.98641517510331 0.31483011291290 0.07007751180272 18.998 > 17 19 F 0.48641517510331 0.81483011291290 0.07007751180272 18.998 > 17 20 F 0.98641517510331 0.81483011291290 0.07007751180272 18.998 > 17 21 F 0.48641517510331 0.31483011291290 0.57007751180272 18.998 > 17 22 F 0.98641517510331 0.31483011291290 0.57007751180272 18.998 > 17 23 F 0.48641517510331 0.81483011291290 0.57007751180272 18.998 > 17 24 F 0.98641517510331 0.81483011291290 0.57007751180272 18.998 > 17 25 F 0.32841493780959 0.01358482489669 0.07007751180272 18.998 > 25 26 F 0.82841493780959 0.01358482489669 0.07007751180272 18.998 > 25 27 F 0.32841493780959 0.51358482489669 0.07007751180272 18.998 > 25 28 F 0.82841493780959 0.51358482489669 0.07007751180272 18.998 > 25 29 F 0.32841493780959 0.01358482489669 0.57007751180272 18.998 > 25 30 F 0.82841493780959 0.01358482489669 0.57007751180272 18.998 > 25 31 F 0.32841493780959 0.51358482489669 0.57007751180272 18.998 > 25 32 F 0.82841493780959 0.51358482489669 0.57007751180272 18.998 > 25 33 F 0.31483011291290 0.48641517510331 0.32007751180272 18.998 > 33 34 F 0.81483011291290 0.48641517510331 0.32007751180272 18.998 > 33 35 F 0.31483011291290 0.98641517510331 0.32007751180272 18.998 > 33 36 F 0.81483011291290 0.98641517510331 0.32007751180272 18.998 > 33 37 F 0.31483011291290 0.48641517510331 0.82007751180272 18.998 > 33 38 F 0.81483011291290 0.48641517510331 0.82007751180272 18.998 > 33 39 F 0.31483011291290 0.98641517510331 0.82007751180272 18.998 > 33 40 F 0.81483011291290 0.98641517510331 0.82007751180272 18.998 > 33 41 F 0.17158506219041 0.18516988708710 0.32007751180272 18.998 > 41 42 F 0.67158506219041 0.18516988708710 0.32007751180272 18.998 > 41 43 F 0.17158506219041 0.68516988708710 0.32007751180272 18.998 > 41 44 F 0.67158506219041 0.68516988708710 0.32007751180272 18.998 > 41 45 F 0.17158506219041 0.18516988708710 0.82007751180272 18.998 > 41 46 F 0.67158506219041 0.18516988708710 0.82007751180272 18.998 > 41 47 F 0.17158506219041 0.68516988708710 0.82007751180272 18.998 > 41 48 F 0.67158506219041 0.68516988708710 0.82007751180272 18.998 > 41 49 F 0.01358482489669 0.32841493780959 0.32007751180272 18.998 > 49 50 F 0.51358482489669 0.32841493780959 0.32007751180272 18.998 > 49 51 F 0.01358482489669 0.82841493780959 0.32007751180272 18.998 > 49 52 F 0.51358482489669 0.82841493780959 0.32007751180272 18.998 > 49 53 F 0.01358482489669 0.32841493780959 0.82007751180272 18.998 > 49 54 F 0.51358482489669 0.32841493780959 0.82007751180272 18.998 > 49 55 F 0.01358482489669 0.82841493780959 0.82007751180272 18.998 > 49 56 F 0.51358482489669 0.82841493780959 0.82007751180272 18.998 > 49 57 F 0.31483011291290 0.32841493780959 0.42992248819728 18.998 > 57 58 F 0.81483011291290 0.32841493780959 0.42992248819728 18.998 > 57 59 F 0.31483011291290 0.82841493780959 0.42992248819728 18.998 > 57 60 F 0.81483011291290 0.82841493780959 0.42992248819728 18.998 > 57 61 F 0.31483011291290 0.32841493780959 0.92992248819728 18.998 > 57 62 F 0.81483011291290 0.32841493780959 0.92992248819728 18.998 > 57 63 F 0.31483011291290 0.82841493780959 0.92992248819728 18.998 > 57 64 F 0.81483011291290 0.82841493780959 0.92992248819728 18.998 > 57 65 F 0.17158506219041 0.48641517510331 0.42992248819728 18.998 > 65 66 F 0.67158506219041 0.48641517510331 0.42992248819728 18.998 > 65 67 F 0.17158506219041 0.98641517510331 0.42992248819728 18.998 > 65 68 F 0.67158506219041 0.98641517510331 0.42992248819728 18.998 > 65 69 F 0.17158506219041 0.48641517510331 0.92992248819728 18.998 > 65 70 F 0.67158506219041 0.48641517510331 0.92992248819728 18.998 > 65 71 F 0.17158506219041 0.98641517510331 0.92992248819728 18.998 > 65 72 F 0.67158506219041 0.98641517510331 0.92992248819728 18.998 > 65 73 F 0.01358482489669 0.18516988708710 0.42992248819728 18.998 > 73 74 F 0.51358482489669 0.18516988708710 0.42992248819728 18.998 > 73 75 F 0.01358482489669 0.68516988708710 0.42992248819728 18.998 > 73 76 F 0.51358482489669 0.68516988708710 0.42992248819728 18.998 > 73 77 F 0.01358482489669 0.18516988708710 0.92992248819728 18.998 > 73 78 F 0.51358482489669 0.18516988708710 0.92992248819728 18.998 > 73 79 F 0.01358482489669 0.68516988708710 0.92992248819728 18.998 > 73 80 F 0.51358482489669 0.68516988708710 0.92992248819728 18.998 > 73 81 F 0.18516988708710 0.01358482489669 0.17992248819728 18.998 > 81 82 F 0.68516988708710 0.01358482489669 0.17992248819728 18.998 > 81 83 F 0.18516988708710 0.51358482489669 0.17992248819728 18.998 > 81 84 F 0.68516988708710 0.51358482489669 0.17992248819728 18.998 > 81 85 F 0.18516988708710 0.01358482489669 0.67992248819728 18.998 > 81 86 F 0.68516988708710 0.01358482489669 0.67992248819728 18.998 > 81 87 F 0.18516988708710 0.51358482489669 0.67992248819728 18.998 > 81 88 F 0.68516988708710 0.51358482489669 0.67992248819728 18.998 > 81 89 F 0.32841493780959 0.31483011291290 0.17992248819728 18.998 > 89 90 F 0.82841493780959 0.31483011291290 0.17992248819728 18.998 > 89 91 F 0.32841493780959 0.81483011291290 0.17992248819728 18.998 > 89 92 F 0.82841493780959 0.81483011291290 0.17992248819728 18.998 > 89 93 F 0.32841493780959 0.31483011291290 0.67992248819728 18.998 > 89 94 F 0.82841493780959 0.31483011291290 0.67992248819728 18.998 > 89 95 F 0.32841493780959 0.81483011291290 0.67992248819728 18.998 > 89 96 F 0.82841493780959 0.81483011291290 0.67992248819728 18.998 > 89 97 F 0.48641517510331 0.17158506219041 0.17992248819728 18.998 > 97 98 F 0.98641517510331 0.17158506219041 0.17992248819728 18.998 > 97 99 F 0.48641517510331 0.67158506219041 0.17992248819728 18.998 > 97 100 F 0.98641517510331 0.67158506219041 0.17992248819728 18.998 > 97 101 F 0.48641517510331 0.17158506219041 0.67992248819728 18.998 > 97 102 F 0.98641517510331 0.17158506219041 0.67992248819728 18.998 > 97 103 F 0.48641517510331 0.67158506219041 0.67992248819728 18.998 > 97 104 F 0.98641517510331 0.67158506219041 0.67992248819728 18.998 > 97 105 F 0.18516988708710 0.17158506219041 0.07007751180272 18.998 > 105 106 F 0.68516988708710 0.17158506219041 0.07007751180272 18.998 > 105 107 F 0.18516988708710 0.67158506219041 0.07007751180272 18.998 > 105 108 F 0.68516988708710 0.67158506219041 0.07007751180272 18.998 > 105 109 F 0.18516988708710 0.17158506219041 0.57007751180272 18.998 > 105 110 F 0.68516988708710 0.17158506219041 0.57007751180272 18.998 > 105 111 F 0.18516988708710 0.67158506219041 0.57007751180272 18.998 > 105 112 F 0.68516988708710 0.67158506219041 0.57007751180272 18.998 > 105 113 Al 0.33333333333333 0.16666666666667 0.12500000000000 26.982 > 113 114 Al 0.83333333333333 0.16666666666667 0.12500000000000 26.982 > 113 115 Al 0.33333333333333 0.66666666666667 0.12500000000000 26.982 > 113 116 Al 0.83333333333333 0.66666666666667 0.12500000000000 26.982 > 113 117 Al 0.33333333333333 0.16666666666667 0.62500000000000 26.982 > 113 118 Al 0.83333333333333 0.16666666666667 0.62500000000000 26.982 > 113 119 Al 0.33333333333333 0.66666666666667 0.62500000000000 26.982 > 113 120 Al 0.83333333333333 0.66666666666667 0.62500000000000 26.982 > 113 121 Al 0.16666666666667 0.33333333333333 0.37500000000000 26.982 > 121 122 Al 0.66666666666667 0.33333333333333 0.37500000000000 26.982 > 121 123 Al 0.16666666666667 0.83333333333333 0.37500000000000 26.982 > 121 124 Al 0.66666666666667 0.83333333333333 0.37500000000000 26.982 > 121 125 Al 0.16666666666667 0.33333333333333 0.87500000000000 26.982 > 121 126 Al 0.66666666666667 0.33333333333333 0.87500000000000 26.982 > 121 127 Al 0.16666666666667 0.83333333333333 0.87500000000000 26.982 > 121 128 Al 0.66666666666667 0.83333333333333 0.87500000000000 26.982 > 121 129 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 129 130 Yb 0.50000000000000 0.00000000000000 0.25000000000000 173.054 > 129 131 Yb 0.00000000000000 0.50000000000000 0.25000000000000 173.054 > 129 132 Yb 0.50000000000000 0.50000000000000 0.25000000000000 173.054 > 129 133 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 129 134 Yb 0.50000000000000 0.00000000000000 0.75000000000000 173.054 > 129 135 Yb 0.00000000000000 0.50000000000000 0.75000000000000 173.054 > 129 136 Yb 0.50000000000000 0.50000000000000 0.75000000000000 173.054 > 129 137 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 > 137 138 Yb 0.50000000000000 0.00000000000000 0.00000000000000 173.054 > 137 139 Yb 0.00000000000000 0.50000000000000 0.00000000000000 173.054 > 137 140 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 137 141 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 137 142 Yb 0.50000000000000 0.00000000000000 0.50000000000000 173.054 > 137 143 Yb 0.00000000000000 0.50000000000000 0.50000000000000 173.054 > 137 144 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1192853 0.0000000 0.0000000 -0.0000000 2.1192853 0.0000000 0.0000000 0.0000000 2.1189337 -------------------------- Born effective charges -------------------------- 1 Li 1.1109416 0.0000000 0.0000000 -0.0000000 1.1109416 0.0000000 0.0000000 0.0000000 0.9633903 2 Li 1.1109416 0.0000000 0.0000000 -0.0000000 1.1109416 0.0000000 0.0000000 0.0000000 0.9633903 3 F -0.9302120 -0.0021376 -0.0523428 -0.0144677 -1.1914275 0.3501564 -0.0468338 0.3456312 -1.0546075 4 F -1.1189333 0.1234260 0.3294157 0.1110958 -1.0027062 -0.1297480 0.3227423 -0.1322564 -1.0546075 5 F -1.1189333 -0.1234260 0.3294157 -0.1110958 -1.0027062 0.1297480 0.3227423 0.1322564 -1.0546075 6 F -0.9302120 0.0021376 -0.0523428 0.0144677 -1.1914275 -0.3501564 -0.0468338 -0.3456312 -1.0546075 7 F -1.1333139 0.1027932 -0.2770729 0.1151234 -0.9883256 0.2204084 -0.2759086 0.2133749 -1.0546075 8 F -1.1333139 -0.1027932 -0.2770729 -0.1151234 -0.9883256 -0.2204084 -0.2759086 -0.2133749 -1.0546075 9 F -1.1189333 0.1234260 0.3294157 0.1110958 -1.0027062 -0.1297480 0.3227423 -0.1322564 -1.0546075 10 F -0.9302120 -0.0021376 -0.0523428 -0.0144677 -1.1914275 0.3501564 -0.0468338 0.3456312 -1.0546075 11 F -1.1189333 -0.1234260 0.3294157 -0.1110958 -1.0027062 0.1297480 0.3227423 0.1322564 -1.0546075 12 F -0.9302120 0.0021376 -0.0523428 0.0144677 -1.1914275 -0.3501564 -0.0468338 -0.3456312 -1.0546075 13 F -1.1333139 0.1027932 -0.2770729 0.1151234 -0.9883256 0.2204084 -0.2759086 0.2133749 -1.0546075 14 F -1.1333139 -0.1027932 -0.2770729 -0.1151234 -0.9883256 -0.2204084 -0.2759086 -0.2133749 -1.0546075 15 Al 2.8474506 0.0000000 0.0000000 -0.0000000 2.8474506 0.0000000 0.0000000 0.0000000 2.7918042 16 Al 2.8474506 0.0000000 0.0000000 -0.0000000 2.8474506 0.0000000 0.0000000 0.0000000 2.7918042 17 Yb 2.4065262 -0.0595255 0.0000000 0.0595255 2.4065262 0.0000000 0.0000000 0.0000000 2.5724502 18 Yb 2.4065262 0.0595255 0.0000000 -0.0595255 2.4065262 0.0000000 0.0000000 0.0000000 2.5724502 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000009 (yx) -0.00000009 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:38:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:38:41]------------------------- 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 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.950527577222007 0.000000000000000 0.000000000000000 b -2.475263788611004 4.287282644009688 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393207770000000 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 3 F 0.97283035020662 0.62966022582580 0.14015502360543 18.998 4 F 0.65682987561919 0.02716964979339 0.14015502360543 18.998 5 F 0.62966022582580 0.97283035020662 0.64015502360543 18.998 6 F 0.34317012438081 0.37033977417420 0.64015502360543 18.998 7 F 0.02716964979339 0.65682987561919 0.64015502360543 18.998 8 F 0.62966022582580 0.65682987561919 0.85984497639457 18.998 9 F 0.34317012438081 0.97283035020662 0.85984497639457 18.998 10 F 0.02716964979339 0.37033977417420 0.85984497639457 18.998 11 F 0.37033977417420 0.02716964979339 0.35984497639457 18.998 12 F 0.65682987561919 0.62966022582580 0.35984497639457 18.998 13 F 0.97283035020662 0.34317012438081 0.35984497639457 18.998 14 F 0.37033977417420 0.34317012438081 0.14015502360543 18.998 15 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 16 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 17 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 18 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.901055154444014 0.000000000000000 0.000000000000000 b -4.950527577222008 8.574565288019375 0.000000000000000 c 0.000000000000000 0.000000000000000 18.786415540000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.12500000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.12500000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.12500000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.12500000000000 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.62500000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.62500000000000 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.62500000000000 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.62500000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.37500000000000 6.941 > 9 10 Li 0.83333333333333 0.16666666666667 0.37500000000000 6.941 > 9 11 Li 0.33333333333333 0.66666666666667 0.37500000000000 6.941 > 9 12 Li 0.83333333333333 0.66666666666667 0.37500000000000 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.87500000000000 6.941 > 9 14 Li 0.83333333333333 0.16666666666667 0.87500000000000 6.941 > 9 15 Li 0.33333333333333 0.66666666666667 0.87500000000000 6.941 > 9 16 Li 0.83333333333333 0.66666666666667 0.87500000000000 6.941 > 9 17 F 0.48641517510331 0.31483011291290 0.07007751180272 18.998 > 17 18 F 0.98641517510331 0.31483011291290 0.07007751180272 18.998 > 17 19 F 0.48641517510331 0.81483011291290 0.07007751180272 18.998 > 17 20 F 0.98641517510331 0.81483011291290 0.07007751180272 18.998 > 17 21 F 0.48641517510331 0.31483011291290 0.57007751180272 18.998 > 17 22 F 0.98641517510331 0.31483011291290 0.57007751180272 18.998 > 17 23 F 0.48641517510331 0.81483011291290 0.57007751180272 18.998 > 17 24 F 0.98641517510331 0.81483011291290 0.57007751180272 18.998 > 17 25 F 0.32841493780959 0.01358482489669 0.07007751180272 18.998 > 25 26 F 0.82841493780959 0.01358482489669 0.07007751180272 18.998 > 25 27 F 0.32841493780959 0.51358482489669 0.07007751180272 18.998 > 25 28 F 0.82841493780959 0.51358482489669 0.07007751180272 18.998 > 25 29 F 0.32841493780959 0.01358482489669 0.57007751180272 18.998 > 25 30 F 0.82841493780959 0.01358482489669 0.57007751180272 18.998 > 25 31 F 0.32841493780959 0.51358482489669 0.57007751180272 18.998 > 25 32 F 0.82841493780959 0.51358482489669 0.57007751180272 18.998 > 25 33 F 0.31483011291290 0.48641517510331 0.32007751180272 18.998 > 33 34 F 0.81483011291290 0.48641517510331 0.32007751180272 18.998 > 33 35 F 0.31483011291290 0.98641517510331 0.32007751180272 18.998 > 33 36 F 0.81483011291290 0.98641517510331 0.32007751180272 18.998 > 33 37 F 0.31483011291290 0.48641517510331 0.82007751180272 18.998 > 33 38 F 0.81483011291290 0.48641517510331 0.82007751180272 18.998 > 33 39 F 0.31483011291290 0.98641517510331 0.82007751180272 18.998 > 33 40 F 0.81483011291290 0.98641517510331 0.82007751180272 18.998 > 33 41 F 0.17158506219041 0.18516988708710 0.32007751180272 18.998 > 41 42 F 0.67158506219041 0.18516988708710 0.32007751180272 18.998 > 41 43 F 0.17158506219041 0.68516988708710 0.32007751180272 18.998 > 41 44 F 0.67158506219041 0.68516988708710 0.32007751180272 18.998 > 41 45 F 0.17158506219041 0.18516988708710 0.82007751180272 18.998 > 41 46 F 0.67158506219041 0.18516988708710 0.82007751180272 18.998 > 41 47 F 0.17158506219041 0.68516988708710 0.82007751180272 18.998 > 41 48 F 0.67158506219041 0.68516988708710 0.82007751180272 18.998 > 41 49 F 0.01358482489669 0.32841493780959 0.32007751180272 18.998 > 49 50 F 0.51358482489669 0.32841493780959 0.32007751180272 18.998 > 49 51 F 0.01358482489669 0.82841493780959 0.32007751180272 18.998 > 49 52 F 0.51358482489669 0.82841493780959 0.32007751180272 18.998 > 49 53 F 0.01358482489669 0.32841493780959 0.82007751180272 18.998 > 49 54 F 0.51358482489669 0.32841493780959 0.82007751180272 18.998 > 49 55 F 0.01358482489669 0.82841493780959 0.82007751180272 18.998 > 49 56 F 0.51358482489669 0.82841493780959 0.82007751180272 18.998 > 49 57 F 0.31483011291290 0.32841493780959 0.42992248819728 18.998 > 57 58 F 0.81483011291290 0.32841493780959 0.42992248819728 18.998 > 57 59 F 0.31483011291290 0.82841493780959 0.42992248819728 18.998 > 57 60 F 0.81483011291290 0.82841493780959 0.42992248819728 18.998 > 57 61 F 0.31483011291290 0.32841493780959 0.92992248819728 18.998 > 57 62 F 0.81483011291290 0.32841493780959 0.92992248819728 18.998 > 57 63 F 0.31483011291290 0.82841493780959 0.92992248819728 18.998 > 57 64 F 0.81483011291290 0.82841493780959 0.92992248819728 18.998 > 57 65 F 0.17158506219041 0.48641517510331 0.42992248819728 18.998 > 65 66 F 0.67158506219041 0.48641517510331 0.42992248819728 18.998 > 65 67 F 0.17158506219041 0.98641517510331 0.42992248819728 18.998 > 65 68 F 0.67158506219041 0.98641517510331 0.42992248819728 18.998 > 65 69 F 0.17158506219041 0.48641517510331 0.92992248819728 18.998 > 65 70 F 0.67158506219041 0.48641517510331 0.92992248819728 18.998 > 65 71 F 0.17158506219041 0.98641517510331 0.92992248819728 18.998 > 65 72 F 0.67158506219041 0.98641517510331 0.92992248819728 18.998 > 65 73 F 0.01358482489669 0.18516988708710 0.42992248819728 18.998 > 73 74 F 0.51358482489669 0.18516988708710 0.42992248819728 18.998 > 73 75 F 0.01358482489669 0.68516988708710 0.42992248819728 18.998 > 73 76 F 0.51358482489669 0.68516988708710 0.42992248819728 18.998 > 73 77 F 0.01358482489669 0.18516988708710 0.92992248819728 18.998 > 73 78 F 0.51358482489669 0.18516988708710 0.92992248819728 18.998 > 73 79 F 0.01358482489669 0.68516988708710 0.92992248819728 18.998 > 73 80 F 0.51358482489669 0.68516988708710 0.92992248819728 18.998 > 73 81 F 0.18516988708710 0.01358482489669 0.17992248819728 18.998 > 81 82 F 0.68516988708710 0.01358482489669 0.17992248819728 18.998 > 81 83 F 0.18516988708710 0.51358482489669 0.17992248819728 18.998 > 81 84 F 0.68516988708710 0.51358482489669 0.17992248819728 18.998 > 81 85 F 0.18516988708710 0.01358482489669 0.67992248819728 18.998 > 81 86 F 0.68516988708710 0.01358482489669 0.67992248819728 18.998 > 81 87 F 0.18516988708710 0.51358482489669 0.67992248819728 18.998 > 81 88 F 0.68516988708710 0.51358482489669 0.67992248819728 18.998 > 81 89 F 0.32841493780959 0.31483011291290 0.17992248819728 18.998 > 89 90 F 0.82841493780959 0.31483011291290 0.17992248819728 18.998 > 89 91 F 0.32841493780959 0.81483011291290 0.17992248819728 18.998 > 89 92 F 0.82841493780959 0.81483011291290 0.17992248819728 18.998 > 89 93 F 0.32841493780959 0.31483011291290 0.67992248819728 18.998 > 89 94 F 0.82841493780959 0.31483011291290 0.67992248819728 18.998 > 89 95 F 0.32841493780959 0.81483011291290 0.67992248819728 18.998 > 89 96 F 0.82841493780959 0.81483011291290 0.67992248819728 18.998 > 89 97 F 0.48641517510331 0.17158506219041 0.17992248819728 18.998 > 97 98 F 0.98641517510331 0.17158506219041 0.17992248819728 18.998 > 97 99 F 0.48641517510331 0.67158506219041 0.17992248819728 18.998 > 97 100 F 0.98641517510331 0.67158506219041 0.17992248819728 18.998 > 97 101 F 0.48641517510331 0.17158506219041 0.67992248819728 18.998 > 97 102 F 0.98641517510331 0.17158506219041 0.67992248819728 18.998 > 97 103 F 0.48641517510331 0.67158506219041 0.67992248819728 18.998 > 97 104 F 0.98641517510331 0.67158506219041 0.67992248819728 18.998 > 97 105 F 0.18516988708710 0.17158506219041 0.07007751180272 18.998 > 105 106 F 0.68516988708710 0.17158506219041 0.07007751180272 18.998 > 105 107 F 0.18516988708710 0.67158506219041 0.07007751180272 18.998 > 105 108 F 0.68516988708710 0.67158506219041 0.07007751180272 18.998 > 105 109 F 0.18516988708710 0.17158506219041 0.57007751180272 18.998 > 105 110 F 0.68516988708710 0.17158506219041 0.57007751180272 18.998 > 105 111 F 0.18516988708710 0.67158506219041 0.57007751180272 18.998 > 105 112 F 0.68516988708710 0.67158506219041 0.57007751180272 18.998 > 105 113 Al 0.33333333333333 0.16666666666667 0.12500000000000 26.982 > 113 114 Al 0.83333333333333 0.16666666666667 0.12500000000000 26.982 > 113 115 Al 0.33333333333333 0.66666666666667 0.12500000000000 26.982 > 113 116 Al 0.83333333333333 0.66666666666667 0.12500000000000 26.982 > 113 117 Al 0.33333333333333 0.16666666666667 0.62500000000000 26.982 > 113 118 Al 0.83333333333333 0.16666666666667 0.62500000000000 26.982 > 113 119 Al 0.33333333333333 0.66666666666667 0.62500000000000 26.982 > 113 120 Al 0.83333333333333 0.66666666666667 0.62500000000000 26.982 > 113 121 Al 0.16666666666667 0.33333333333333 0.37500000000000 26.982 > 121 122 Al 0.66666666666667 0.33333333333333 0.37500000000000 26.982 > 121 123 Al 0.16666666666667 0.83333333333333 0.37500000000000 26.982 > 121 124 Al 0.66666666666667 0.83333333333333 0.37500000000000 26.982 > 121 125 Al 0.16666666666667 0.33333333333333 0.87500000000000 26.982 > 121 126 Al 0.66666666666667 0.33333333333333 0.87500000000000 26.982 > 121 127 Al 0.16666666666667 0.83333333333333 0.87500000000000 26.982 > 121 128 Al 0.66666666666667 0.83333333333333 0.87500000000000 26.982 > 121 129 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 129 130 Yb 0.50000000000000 0.00000000000000 0.25000000000000 173.054 > 129 131 Yb 0.00000000000000 0.50000000000000 0.25000000000000 173.054 > 129 132 Yb 0.50000000000000 0.50000000000000 0.25000000000000 173.054 > 129 133 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 129 134 Yb 0.50000000000000 0.00000000000000 0.75000000000000 173.054 > 129 135 Yb 0.00000000000000 0.50000000000000 0.75000000000000 173.054 > 129 136 Yb 0.50000000000000 0.50000000000000 0.75000000000000 173.054 > 129 137 Yb 0.00000000000000 0.00000000000000 0.00000000000000 173.054 > 137 138 Yb 0.50000000000000 0.00000000000000 0.00000000000000 173.054 > 137 139 Yb 0.00000000000000 0.50000000000000 0.00000000000000 173.054 > 137 140 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 137 141 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 137 142 Yb 0.50000000000000 0.00000000000000 0.50000000000000 173.054 > 137 143 Yb 0.00000000000000 0.50000000000000 0.50000000000000 173.054 > 137 144 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1192853 0.0000000 0.0000000 -0.0000000 2.1192853 0.0000000 0.0000000 0.0000000 2.1189337 -------------------------- Born effective charges -------------------------- 1 Li 1.1109416 0.0000000 0.0000000 -0.0000000 1.1109416 0.0000000 0.0000000 0.0000000 0.9633903 2 Li 1.1109416 0.0000000 0.0000000 -0.0000000 1.1109416 0.0000000 0.0000000 0.0000000 0.9633903 3 F -0.9302120 -0.0021376 -0.0523428 -0.0144677 -1.1914275 0.3501564 -0.0468338 0.3456312 -1.0546075 4 F -1.1189333 0.1234260 0.3294157 0.1110958 -1.0027062 -0.1297480 0.3227423 -0.1322564 -1.0546075 5 F -1.1189333 -0.1234260 0.3294157 -0.1110958 -1.0027062 0.1297480 0.3227423 0.1322564 -1.0546075 6 F -0.9302120 0.0021376 -0.0523428 0.0144677 -1.1914275 -0.3501564 -0.0468338 -0.3456312 -1.0546075 7 F -1.1333139 0.1027932 -0.2770729 0.1151234 -0.9883256 0.2204084 -0.2759086 0.2133749 -1.0546075 8 F -1.1333139 -0.1027932 -0.2770729 -0.1151234 -0.9883256 -0.2204084 -0.2759086 -0.2133749 -1.0546075 9 F -1.1189333 0.1234260 0.3294157 0.1110958 -1.0027062 -0.1297480 0.3227423 -0.1322564 -1.0546075 10 F -0.9302120 -0.0021376 -0.0523428 -0.0144677 -1.1914275 0.3501564 -0.0468338 0.3456312 -1.0546075 11 F -1.1189333 -0.1234260 0.3294157 -0.1110958 -1.0027062 0.1297480 0.3227423 0.1322564 -1.0546075 12 F -0.9302120 0.0021376 -0.0523428 0.0144677 -1.1914275 -0.3501564 -0.0468338 -0.3456312 -1.0546075 13 F -1.1333139 0.1027932 -0.2770729 0.1151234 -0.9883256 0.2204084 -0.2759086 0.2133749 -1.0546075 14 F -1.1333139 -0.1027932 -0.2770729 -0.1151234 -0.9883256 -0.2204084 -0.2759086 -0.2133749 -1.0546075 15 Al 2.8474506 0.0000000 0.0000000 -0.0000000 2.8474506 0.0000000 0.0000000 0.0000000 2.7918042 16 Al 2.8474506 0.0000000 0.0000000 -0.0000000 2.8474506 0.0000000 0.0000000 0.0000000 2.7918042 17 Yb 2.4065262 -0.0595255 0.0000000 0.0595255 2.4065262 0.0000000 0.0000000 0.0000000 2.5724502 18 Yb 2.4065262 0.0595255 0.0000000 -0.0595255 2.4065262 0.0000000 0.0000000 0.0000000 2.5724502 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 12 12 5 ] 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: 0.71, Number of G-points: 325, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/81) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 7.346 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 8.563 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.323 ( 0.000 0.000 0.000) 0.000 9.323 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 10.969 ( 0.000 0.000 0.000) 0.000 11.189 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.609 ( 0.000 0.000 0.000) 0.000 12.245 ( 0.000 0.000 0.000) 0.000 12.606 ( 0.000 0.000 0.000) 0.000 12.606 ( 0.000 0.000 0.000) 0.000 13.128 ( 0.000 0.000 0.000) 0.000 13.128 ( 0.000 0.000 0.000) 0.000 13.171 ( 0.000 0.000 0.000) 0.000 13.171 ( 0.000 0.000 0.000) 0.000 13.292 ( 0.000 0.000 0.000) 0.000 13.292 ( 0.000 0.000 0.000) 0.000 16.876 ( 0.000 0.000 0.000) 0.000 16.993 ( 0.000 0.000 0.000) 0.000 17.372 ( 0.000 0.000 0.000) 0.000 17.372 ( 0.000 0.000 0.000) 0.000 17.421 ( 0.000 0.000 0.000) 0.000 17.717 ( 0.000 0.000 0.000) 0.000 17.717 ( 0.000 0.000 0.000) 0.000 21.178 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/81) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 18.329 10.582 0.000) 21.164 0.759 ( 33.217 19.178 0.000) 38.356 0.973 ( 41.981 24.238 0.000) 48.476 2.653 ( -9.646 -5.569 0.000) 11.138 2.777 ( -4.134 -2.387 0.000) 4.773 2.923 ( -3.803 -2.195 0.000) 4.391 3.456 ( 2.145 1.238 0.000) 2.476 3.467 ( 0.940 0.543 0.000) 1.086 3.712 ( -1.621 -0.936 0.000) 1.872 3.890 ( 1.617 0.933 0.000) 1.867 3.965 ( 1.188 0.686 0.000) 1.372 4.055 ( -5.384 -3.108 0.000) 6.217 4.782 ( -0.409 -0.236 0.000) 0.472 5.080 ( -3.149 -1.818 0.000) 3.636 5.251 ( 3.825 2.208 0.000) 4.417 5.379 ( 8.059 4.653 0.000) 9.306 7.270 ( -3.094 -1.786 0.000) 3.572 7.431 ( -0.004 -0.002 0.000) 0.004 7.448 ( 2.893 1.670 0.000) 3.341 7.496 ( -0.222 -0.128 0.000) 0.257 7.678 ( -1.786 -1.031 0.000) 2.063 7.690 ( 0.031 0.018 0.000) 0.036 7.780 ( 0.744 0.430 0.000) 0.860 8.506 ( -4.762 -2.750 0.000) 5.499 8.541 ( 4.630 2.673 0.000) 5.347 8.947 ( -2.984 -1.723 0.000) 3.446 9.325 ( 0.002 0.001 0.000) 0.002 9.562 ( 0.591 0.341 0.000) 0.683 9.713 ( -1.344 -0.776 0.000) 1.552 9.756 ( 1.719 0.992 0.000) 1.984 10.865 ( -8.570 -4.948 0.000) 9.895 10.976 ( -13.734 -7.930 0.000) 15.859 11.435 ( -4.083 -2.357 0.000) 4.715 11.470 ( -3.181 -1.837 0.000) 3.673 11.643 ( 1.356 0.783 0.000) 1.566 11.718 ( 11.025 6.365 0.000) 12.731 11.946 ( 5.341 3.084 0.000) 6.167 12.147 ( -6.468 -3.734 0.000) 7.469 12.687 ( 5.199 3.002 0.000) 6.003 12.989 ( -6.528 -3.769 0.000) 7.537 13.003 ( -6.059 -3.498 0.000) 6.996 13.275 ( 5.186 2.994 0.000) 5.989 13.311 ( 2.214 1.278 0.000) 2.557 13.313 ( 7.780 4.492 0.000) 8.984 13.392 ( 8.320 4.804 0.000) 9.608 14.362 ( 2.313 1.335 0.000) 2.671 16.888 ( 1.056 0.610 0.000) 1.220 17.003 ( 0.879 0.508 0.000) 1.015 17.391 ( -2.234 -1.290 0.000) 2.580 17.429 ( 4.625 2.670 0.000) 5.340 17.741 ( 1.982 1.144 0.000) 2.289 17.780 ( 5.464 3.154 0.000) 6.309 20.516 ( -1.208 -0.698 0.000) 1.395 20.965 ( -18.483 -10.671 0.000) 21.342 ======================= Grid point 2 (3/81) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 16.521 9.539 0.000) 19.077 1.477 ( 30.357 17.527 0.000) 35.053 1.848 ( 34.971 20.191 0.000) 40.381 2.382 ( -13.872 -8.009 0.000) 16.018 2.700 ( -2.311 -1.334 0.000) 2.669 2.826 ( -4.233 -2.444 0.000) 4.887 3.350 ( -9.671 -5.583 0.000) 11.167 3.435 ( -4.503 -2.600 0.000) 5.200 3.681 ( -1.872 -1.081 0.000) 2.162 3.903 ( -6.948 -4.011 0.000) 8.023 4.004 ( 2.694 1.555 0.000) 3.110 4.035 ( 9.060 5.231 0.000) 10.461 4.787 ( 0.958 0.553 0.000) 1.106 5.094 ( 4.958 2.862 0.000) 5.725 5.342 ( 3.733 2.155 0.000) 4.311 5.557 ( 7.821 4.515 0.000) 9.031 7.199 ( -3.493 -2.016 0.000) 4.033 7.406 ( -3.316 -1.914 0.000) 3.829 7.433 ( 0.104 0.060 0.000) 0.120 7.567 ( 2.299 1.327 0.000) 2.654 7.603 ( -4.425 -2.555 0.000) 5.110 7.709 ( 2.394 1.382 0.000) 2.765 7.808 ( 1.358 0.784 0.000) 1.568 8.371 ( -6.645 -3.836 0.000) 7.673 8.688 ( 8.166 4.715 0.000) 9.429 8.875 ( -2.667 -1.540 0.000) 3.079 9.319 ( -0.503 -0.290 0.000) 0.581 9.582 ( 0.815 0.471 0.000) 0.941 9.669 ( -2.545 -1.469 0.000) 2.939 9.768 ( -1.333 -0.770 0.000) 1.539 10.626 ( -11.698 -6.754 0.000) 13.508 10.659 ( -13.920 -8.037 0.000) 16.074 11.306 ( -6.547 -3.780 0.000) 7.560 11.405 ( -3.118 -1.800 0.000) 3.600 11.648 ( -1.009 -0.582 0.000) 1.165 11.947 ( 8.808 5.085 0.000) 10.171 12.009 ( -5.609 -3.238 0.000) 6.476 12.085 ( 6.615 3.819 0.000) 7.638 12.793 ( 3.567 2.060 0.000) 4.119 12.853 ( -5.263 -3.038 0.000) 6.077 12.893 ( -2.826 -1.631 0.000) 3.263 13.318 ( 0.400 0.231 0.000) 0.462 13.437 ( 6.985 4.033 0.000) 8.065 13.474 ( 6.554 3.784 0.000) 7.568 13.652 ( 13.922 8.038 0.000) 16.076 14.423 ( 2.736 1.580 0.000) 3.160 16.923 ( 2.069 1.195 0.000) 2.389 17.032 ( 1.659 0.958 0.000) 1.915 17.331 ( -2.737 -1.580 0.000) 3.160 17.573 ( 7.743 4.471 0.000) 8.941 17.796 ( 2.711 1.565 0.000) 3.130 17.945 ( 8.722 5.036 0.000) 10.071 20.387 ( -31.871 -18.401 0.000) 36.802 20.476 ( -2.269 -1.310 0.000) 2.620 ======================= Grid point 3 (4/81) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 14.057 8.116 0.000) 16.232 2.010 ( -8.298 -4.791 0.000) 9.582 2.133 ( 16.480 9.515 0.000) 19.029 2.489 ( 20.559 11.870 0.000) 23.740 2.680 ( 0.881 0.508 0.000) 1.017 2.758 ( -1.314 -0.758 0.000) 1.517 3.122 ( -9.394 -5.424 0.000) 10.848 3.285 ( -7.919 -4.572 0.000) 9.144 3.557 ( -8.731 -5.041 0.000) 10.081 3.808 ( -1.875 -1.082 0.000) 2.165 4.086 ( 5.097 2.943 0.000) 5.886 4.230 ( 7.660 4.422 0.000) 8.845 4.821 ( 1.941 1.121 0.000) 2.241 5.303 ( 12.919 7.459 0.000) 14.918 5.403 ( 1.585 0.915 0.000) 1.830 5.736 ( 8.355 4.824 0.000) 9.648 7.107 ( -4.585 -2.647 0.000) 5.295 7.330 ( -3.459 -1.997 0.000) 3.994 7.413 ( -2.822 -1.629 0.000) 3.259 7.512 ( -2.693 -1.555 0.000) 3.110 7.573 ( -0.676 -0.390 0.000) 0.780 7.782 ( 2.846 1.643 0.000) 3.287 7.833 ( 1.001 0.578 0.000) 1.155 8.229 ( -5.691 -3.286 0.000) 6.572 8.847 ( 2.540 1.467 0.000) 2.933 8.907 ( 9.192 5.307 0.000) 10.614 9.304 ( -0.822 -0.474 0.000) 0.949 9.562 ( -3.790 -2.188 0.000) 4.377 9.602 ( -3.324 -1.919 0.000) 3.839 9.673 ( -7.153 -4.130 0.000) 8.259 10.369 ( -10.426 -6.019 0.000) 12.039 10.395 ( -8.665 -5.003 0.000) 10.005 11.159 ( -6.199 -3.579 0.000) 7.158 11.331 ( -3.457 -1.996 0.000) 3.992 11.601 ( -2.999 -1.731 0.000) 3.462 11.886 ( -5.686 -3.283 0.000) 6.566 12.090 ( 3.740 2.159 0.000) 4.318 12.242 ( 7.234 4.177 0.000) 8.354 12.772 ( -1.409 -0.813 0.000) 1.626 12.804 ( -0.604 -0.348 0.000) 0.697 12.932 ( 4.402 2.542 0.000) 5.083 13.307 ( -1.350 -0.779 0.000) 1.559 13.598 ( 7.102 4.100 0.000) 8.200 13.610 ( 5.492 3.171 0.000) 6.342 13.979 ( 14.665 8.467 0.000) 16.934 14.464 ( 0.512 0.296 0.000) 0.592 16.979 ( 2.869 1.657 0.000) 3.313 17.075 ( 2.113 1.220 0.000) 2.440 17.279 ( -1.669 -0.964 0.000) 1.927 17.756 ( 8.065 4.657 0.000) 9.313 17.860 ( 3.013 1.740 0.000) 3.480 18.149 ( 8.985 5.187 0.000) 10.375 19.593 ( -37.550 -21.679 0.000) 43.359 20.416 ( -2.982 -1.722 0.000) 3.444 ======================= Grid point 4 (5/81) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 12.348 7.129 0.000) 14.259 1.636 ( -18.271 -10.549 0.000) 21.097 2.514 ( 7.675 4.431 0.000) 8.863 2.654 ( 0.023 0.013 0.000) 0.026 2.800 ( 5.908 3.411 0.000) 6.822 2.816 ( 5.137 2.966 0.000) 5.931 2.974 ( -2.738 -1.581 0.000) 3.161 3.130 ( -3.855 -2.226 0.000) 4.451 3.363 ( -7.367 -4.253 0.000) 8.507 3.771 ( -1.853 -1.070 0.000) 2.139 4.231 ( 7.163 4.136 0.000) 8.271 4.378 ( 5.503 3.177 0.000) 6.354 4.866 ( 1.790 1.033 0.000) 2.067 5.413 ( -0.529 -0.306 0.000) 0.611 5.630 ( 15.215 8.785 0.000) 17.569 5.934 ( 8.973 5.180 0.000) 10.361 7.002 ( -4.499 -2.598 0.000) 5.195 7.248 ( -3.772 -2.178 0.000) 4.356 7.321 ( -4.151 -2.396 0.000) 4.793 7.474 ( -1.538 -0.888 0.000) 1.776 7.565 ( 0.097 0.056 0.000) 0.112 7.810 ( -0.242 -0.139 0.000) 0.279 7.863 ( 1.817 1.049 0.000) 2.098 8.121 ( -3.993 -2.305 0.000) 4.611 8.948 ( 6.595 3.808 0.000) 7.616 9.125 ( 9.059 5.230 0.000) 10.461 9.285 ( -0.687 -0.397 0.000) 0.793 9.380 ( -11.282 -6.513 0.000) 13.027 9.475 ( -10.116 -5.840 0.000) 11.681 9.526 ( -3.349 -1.934 0.000) 3.867 10.212 ( -3.612 -2.085 0.000) 4.171 10.255 ( -4.203 -2.427 0.000) 4.854 11.039 ( -4.299 -2.482 0.000) 4.964 11.251 ( -3.697 -2.134 0.000) 4.269 11.527 ( -3.231 -1.866 0.000) 3.731 11.751 ( -6.117 -3.532 0.000) 7.064 12.128 ( 0.119 0.068 0.000) 0.137 12.384 ( 5.020 2.898 0.000) 5.797 12.805 ( 4.214 2.433 0.000) 4.866 12.809 ( 0.911 0.526 0.000) 1.051 13.035 ( 4.417 2.550 0.000) 5.100 13.262 ( -2.618 -1.512 0.000) 3.023 13.717 ( 3.912 2.259 0.000) 4.517 13.745 ( 5.851 3.378 0.000) 6.757 14.296 ( 13.333 7.698 0.000) 15.396 14.440 ( -2.541 -1.467 0.000) 2.934 17.048 ( 3.094 1.786 0.000) 3.572 17.121 ( 1.817 1.049 0.000) 2.098 17.264 ( 0.555 0.320 0.000) 0.641 17.897 ( 3.542 2.045 0.000) 4.090 17.943 ( 4.709 2.719 0.000) 5.437 18.331 ( 6.992 4.037 0.000) 8.074 18.765 ( -34.632 -19.995 0.000) 39.990 20.347 ( -3.005 -1.735 0.000) 3.470 ======================= Grid point 5 (6/81) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -14.959 -8.637 0.000) 17.273 1.715 ( 10.797 6.234 0.000) 12.467 2.483 ( -6.716 -3.877 0.000) 7.754 2.630 ( -1.582 -0.913 0.000) 1.826 2.852 ( 0.449 0.259 0.000) 0.519 2.876 ( -0.161 -0.093 0.000) 0.186 2.969 ( 0.295 0.171 0.000) 0.341 3.207 ( 7.601 4.388 0.000) 8.777 3.255 ( -1.978 -1.142 0.000) 2.285 3.726 ( -1.870 -1.080 0.000) 2.159 4.376 ( 5.290 3.054 0.000) 6.109 4.467 ( 2.230 1.287 0.000) 2.575 4.894 ( 0.708 0.409 0.000) 0.817 5.392 ( -1.013 -0.585 0.000) 1.170 5.941 ( 11.496 6.637 0.000) 13.275 6.106 ( 5.415 3.127 0.000) 6.253 6.918 ( -2.775 -1.602 0.000) 3.204 7.172 ( -2.664 -1.538 0.000) 3.077 7.255 ( -1.603 -0.925 0.000) 1.851 7.439 ( -1.356 -0.783 0.000) 1.566 7.576 ( 0.690 0.399 0.000) 0.797 7.789 ( -1.220 -0.704 0.000) 1.409 7.912 ( 2.453 1.416 0.000) 2.833 8.043 ( -3.193 -1.844 0.000) 3.687 9.111 ( 7.004 4.044 0.000) 8.088 9.142 ( -8.413 -4.857 0.000) 9.715 9.248 ( -8.845 -5.106 0.000) 10.213 9.254 ( 0.681 0.393 0.000) 0.786 9.305 ( 3.565 2.058 0.000) 4.117 9.458 ( -2.445 -1.412 0.000) 2.824 10.176 ( -0.376 -0.217 0.000) 0.434 10.191 ( -1.759 -1.015 0.000) 2.031 10.975 ( -1.390 -0.802 0.000) 1.605 11.165 ( -3.668 -2.118 0.000) 4.235 11.473 ( -1.384 -0.799 0.000) 1.598 11.627 ( -4.481 -2.587 0.000) 5.174 12.116 ( -0.784 -0.453 0.000) 0.905 12.466 ( 2.372 1.370 0.000) 2.739 12.831 ( 0.792 0.457 0.000) 0.914 12.932 ( 6.245 3.606 0.000) 7.212 13.119 ( 2.862 1.653 0.000) 3.305 13.193 ( -3.433 -1.982 0.000) 3.964 13.783 ( 1.951 1.127 0.000) 2.253 13.853 ( 3.607 2.083 0.000) 4.165 14.367 ( -3.289 -1.899 0.000) 3.798 14.557 ( 9.145 5.280 0.000) 10.560 17.108 ( 2.090 1.207 0.000) 2.413 17.153 ( 0.981 0.567 0.000) 1.133 17.319 ( 4.860 2.806 0.000) 5.612 17.886 ( -11.652 -6.727 0.000) 13.455 17.982 ( -1.022 -0.590 0.000) 1.180 18.192 ( -8.717 -5.033 0.000) 10.066 18.454 ( 3.776 2.180 0.000) 4.360 20.289 ( -1.967 -1.136 0.000) 2.271 ======================= Grid point 6 (7/81) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 6.090 ( -0.000 -0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 9.339 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 10.171 ( 0.000 0.000 0.000) 0.000 10.174 ( -0.000 -0.000 0.000) 0.000 10.965 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 11.460 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 12.106 ( 0.000 0.000 0.000) 0.000 12.493 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 13.130 ( -0.000 -0.000 0.000) 0.000 13.153 ( -0.000 -0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 14.324 ( 0.000 0.000 0.000) 0.000 14.667 ( 0.000 0.000 0.000) 0.000 17.133 ( 0.000 0.000 0.000) 0.000 17.164 ( 0.000 0.000 0.000) 0.000 17.492 ( -0.000 -0.000 0.000) 0.000 17.546 ( 0.000 0.000 0.000) 0.000 17.986 ( 0.000 0.000 0.000) 0.000 18.161 ( 0.000 0.000 0.000) 0.000 18.497 ( 0.000 0.000 0.000) 0.000 20.266 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/81) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 13.592 23.542 -14.990) 31.043 1.046 ( 14.488 25.093 -19.393) 34.866 1.680 ( 22.265 38.565 20.018) 48.823 2.498 ( -6.233 -10.796 -11.888) 17.226 2.663 ( -3.625 -6.279 11.438) 13.543 2.868 ( -2.058 -3.564 4.249) 5.915 3.353 ( -4.935 -8.548 7.134) 12.178 3.596 ( 3.450 5.975 -11.732) 13.611 3.625 ( -3.840 -6.651 3.303) 8.360 3.934 ( -3.021 -5.232 -5.614) 8.247 3.973 ( 2.327 4.031 -0.555) 4.687 3.981 ( 0.780 1.351 4.474) 4.738 4.832 ( 2.575 4.460 1.902) 5.490 4.998 ( -1.369 -2.370 -0.553) 2.793 5.389 ( 4.512 7.816 1.062) 9.087 5.475 ( 3.379 5.852 -0.018) 6.757 7.227 ( -1.441 -2.496 1.210) 3.126 7.376 ( -2.375 -4.114 1.041) 4.863 7.497 ( 0.627 1.087 -3.582) 3.795 7.527 ( 1.620 2.806 -0.116) 3.243 7.641 ( -1.358 -2.351 0.932) 2.870 7.683 ( -0.335 -0.580 -1.112) 1.298 7.804 ( 1.177 2.039 -0.313) 2.376 8.409 ( -3.894 -6.744 -0.364) 7.796 8.643 ( 4.357 7.547 0.650) 8.738 8.893 ( -1.870 -3.239 0.024) 3.740 9.328 ( -0.032 -0.056 0.323) 0.329 9.527 ( -1.556 -2.695 0.551) 3.160 9.734 ( -0.212 -0.367 0.077) 0.431 9.765 ( 0.875 1.516 -1.807) 2.516 10.695 ( -6.771 -11.728 -0.818) 13.568 10.742 ( -8.179 -14.166 0.250) 16.359 11.361 ( -3.328 -5.765 0.850) 6.711 11.410 ( -1.741 -3.015 -1.006) 3.624 11.655 ( 0.120 0.207 0.187) 0.304 11.898 ( 5.568 9.645 -0.826) 11.167 12.042 ( 3.609 6.250 2.413) 7.610 12.045 ( -3.400 -5.889 -0.560) 6.823 12.774 ( 2.620 4.537 -0.565) 5.269 12.888 ( -3.370 -5.837 -2.656) 7.244 12.912 ( -2.747 -4.758 2.096) 5.880 13.230 ( -0.406 -0.703 8.023) 8.064 13.406 ( 3.030 5.248 1.099) 6.158 13.496 ( 7.492 12.976 1.039) 15.020 13.590 ( 6.403 11.090 -2.469) 13.042 14.385 ( 0.640 1.108 -13.208) 13.270 16.905 ( 0.822 1.423 -1.689) 2.357 17.020 ( 0.675 1.169 0.096) 1.353 17.354 ( -1.336 -2.313 2.006) 3.341 17.542 ( 4.834 8.372 3.222) 10.190 17.769 ( 1.355 2.346 -0.483) 2.752 17.899 ( 4.608 7.981 2.483) 9.545 20.487 ( -1.296 -2.245 0.839) 2.724 20.570 ( -16.730 -28.977 -0.557) 33.464 ======================= Grid point 15 (9/81) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -1.550 28.881 -13.042) 31.727 1.693 ( 33.015 8.278 -16.140) 37.670 2.228 ( -13.659 -7.020 -6.828) 16.807 2.354 ( 17.814 24.512 15.902) 34.221 2.596 ( 3.175 -5.857 7.429) 9.979 2.802 ( -2.565 -0.793 2.890) 3.945 3.152 ( -6.313 -11.226 8.245) 15.293 3.437 ( -10.276 -2.583 0.278) 10.599 3.661 ( -5.225 0.608 -6.396) 8.281 3.795 ( -0.335 -6.662 -2.868) 7.261 4.025 ( 3.303 1.085 5.354) 6.384 4.119 ( 7.294 3.238 -5.679) 9.795 4.886 ( -3.332 8.484 1.186) 9.192 5.082 ( 12.473 -1.180 0.498) 12.538 5.497 ( -1.746 10.654 0.241) 10.799 5.630 ( 9.235 3.484 0.372) 9.877 7.166 ( -3.882 -1.203 1.520) 4.339 7.301 ( -0.282 -5.982 0.146) 5.990 7.477 ( -4.385 -0.987 -0.688) 4.547 7.533 ( -0.075 -0.462 -1.543) 1.612 7.610 ( -2.964 1.548 -0.574) 3.392 7.704 ( 4.379 -1.843 -0.660) 4.796 7.847 ( 0.812 2.818 0.573) 2.988 8.267 ( -4.637 -6.510 -0.287) 7.998 8.821 ( 6.066 8.240 0.330) 10.237 8.853 ( 0.995 0.366 0.145) 1.070 9.309 ( -1.441 -1.379 -0.168) 2.002 9.469 ( 0.489 -8.037 -0.103) 8.053 9.705 ( -3.376 0.715 0.778) 3.537 9.772 ( -2.900 1.828 -0.452) 3.458 10.448 ( -8.392 -10.990 -1.738) 13.936 10.468 ( -8.957 -10.762 0.498) 14.010 11.236 ( -5.793 -3.350 0.984) 6.764 11.344 ( -1.873 -4.082 -0.970) 4.595 11.639 ( -2.082 -0.408 -0.299) 2.143 11.929 ( -4.216 -5.012 -1.314) 6.680 12.063 ( 4.408 6.185 -0.951) 7.655 12.171 ( 5.315 4.611 2.749) 7.554 12.758 ( -1.665 -4.472 1.464) 4.991 12.828 ( -2.149 -1.930 4.820) 5.620 12.901 ( 3.354 4.016 -4.994) 7.233 13.256 ( 3.809 -2.046 4.980) 6.595 13.482 ( 1.540 3.030 -0.848) 3.503 13.744 ( 1.388 14.698 0.023) 14.764 13.830 ( 12.760 10.770 2.084) 16.827 14.407 ( 2.744 -2.871 -12.579) 13.192 16.948 ( 2.431 1.811 -2.924) 4.212 17.045 ( 1.377 0.265 0.156) 1.411 17.312 ( -1.844 -0.361 2.671) 3.266 17.722 ( 5.205 10.006 2.549) 11.563 17.834 ( 3.134 2.921 0.077) 4.285 18.073 ( 6.736 7.358 2.900) 10.388 19.888 ( -27.557 -31.766 -1.841) 42.093 20.430 ( -2.050 -3.375 1.398) 4.189 ======================= Grid point 16 (10/81) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.679 22.322 -9.688) 24.343 1.882 ( -18.495 -5.255 -2.045) 19.335 2.254 ( 24.771 2.587 -11.544) 27.451 2.590 ( 5.305 -4.204 3.292) 7.527 2.775 ( 2.596 5.168 -2.723) 6.392 2.794 ( 4.034 8.360 13.419) 16.317 2.966 ( -2.669 -7.964 8.828) 12.185 3.248 ( -9.416 -0.702 -0.941) 9.489 3.483 ( -10.410 -2.995 -3.851) 11.496 3.778 ( 0.110 -1.729 -0.878) 1.942 4.124 ( 7.223 0.999 5.462) 9.110 4.261 ( 8.038 -0.695 -5.670) 9.861 4.916 ( -2.548 7.382 0.583) 7.832 5.292 ( 11.376 -2.550 0.593) 11.673 5.587 ( 2.364 10.591 -1.136) 10.910 5.836 ( 9.262 6.213 1.164) 11.213 7.076 ( -5.468 -0.315 0.985) 5.565 7.250 ( 0.029 -4.457 0.541) 4.489 7.368 ( -4.601 -3.690 0.078) 5.898 7.521 ( -3.141 2.104 -1.640) 4.121 7.577 ( -1.319 0.469 -0.680) 1.556 7.755 ( 3.899 -2.715 -1.444) 4.966 7.875 ( -0.330 1.933 1.671) 2.576 8.142 ( -3.106 -5.284 -0.081) 6.130 8.896 ( 4.057 3.888 0.016) 5.620 9.048 ( 8.135 8.784 0.179) 11.974 9.255 ( -1.539 -4.633 -0.620) 4.921 9.381 ( -0.031 -10.360 -0.289) 10.364 9.595 ( -10.800 0.631 0.754) 10.845 9.707 ( -7.762 3.093 0.824) 8.396 10.234 ( -4.698 -7.799 -0.847) 9.144 10.267 ( -3.968 -8.041 -0.472) 8.979 11.113 ( -5.962 -1.245 0.547) 6.115 11.275 ( -1.886 -3.481 -0.268) 3.968 11.579 ( -4.173 -0.565 -0.620) 4.257 11.798 ( -5.064 -5.791 -2.214) 8.005 12.155 ( 0.313 4.678 0.767) 4.751 12.302 ( 6.026 1.557 1.576) 6.421 12.729 ( 2.749 -2.505 1.139) 3.890 12.814 ( 1.408 0.646 6.234) 6.423 13.003 ( 3.474 4.488 -5.127) 7.648 13.277 ( -0.328 -1.131 1.562) 1.956 13.540 ( 5.349 -1.811 -2.715) 6.266 13.856 ( -1.044 9.214 -0.443) 9.284 14.169 ( 12.368 12.470 5.108) 18.291 14.413 ( 2.277 -4.285 -8.256) 9.577 17.014 ( 2.841 2.048 -2.272) 4.175 17.068 ( 2.284 -1.869 -1.004) 3.118 17.295 ( -1.117 2.263 3.013) 3.930 17.887 ( 3.175 7.541 0.334) 8.189 17.931 ( 3.254 6.408 1.531) 7.348 18.250 ( 6.908 4.631 3.987) 9.223 19.087 ( -30.603 -28.955 -5.002) 42.425 20.356 ( -2.079 -4.482 1.957) 5.314 ======================= Grid point 17 (11/81) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -20.330 -1.527 2.849) 20.585 1.706 ( 3.048 16.951 -7.069) 18.617 2.501 ( 3.211 -3.039 -0.165) 4.425 2.632 ( 2.969 -1.643 0.016) 3.394 2.810 ( -0.443 -3.508 0.509) 3.572 2.843 ( 4.699 -0.335 -4.275) 6.361 2.973 ( -0.544 2.243 6.160) 6.578 3.178 ( 0.716 5.678 0.855) 5.787 3.312 ( -6.373 -1.471 -2.084) 6.864 3.748 ( -1.710 -1.065 0.638) 2.113 4.265 ( 8.406 -0.802 4.815) 9.720 4.372 ( 7.104 -3.098 -4.105) 8.771 4.931 ( -2.501 4.297 0.533) 5.000 5.363 ( 2.373 -3.938 0.603) 4.637 5.808 ( 11.002 7.738 -1.700) 13.558 6.037 ( 6.953 5.032 1.311) 8.682 6.991 ( -5.051 1.730 0.935) 5.420 7.212 ( -1.630 -0.502 -0.243) 1.723 7.273 ( -2.701 -2.271 0.226) 3.536 7.476 ( -3.237 0.849 -0.968) 3.484 7.576 ( 0.065 0.928 0.011) 0.931 7.773 ( 1.287 -2.816 -1.357) 3.380 7.890 ( 1.159 0.790 1.348) 1.946 8.057 ( -1.974 -3.945 -0.000) 4.411 9.037 ( 6.416 4.572 -0.196) 7.881 9.161 ( -2.898 -6.507 -0.069) 7.123 9.246 ( 5.417 6.725 0.284) 8.640 9.274 ( -2.223 -8.246 -0.455) 8.553 9.409 ( -10.989 3.500 -0.409) 11.541 9.577 ( -9.462 2.417 1.185) 9.838 10.148 ( 0.901 -5.317 -0.665) 5.433 10.168 ( -0.176 -5.703 0.056) 5.706 11.021 ( -4.227 0.308 -0.059) 4.238 11.215 ( -2.635 -1.075 1.011) 3.020 11.504 ( -3.508 -0.497 -1.180) 3.734 11.656 ( -4.430 -6.228 -2.357) 7.998 12.175 ( -2.954 4.898 2.095) 6.092 12.389 ( 4.722 -2.151 0.992) 5.283 12.796 ( 6.136 -0.603 -0.991) 6.245 12.877 ( 2.980 3.636 5.914) 7.555 13.096 ( 2.711 2.978 -3.176) 5.129 13.224 ( -3.322 -2.143 -1.946) 4.406 13.632 ( 8.716 -3.960 -2.375) 9.863 13.892 ( -1.664 2.803 0.539) 3.304 14.342 ( 1.336 -4.499 -6.542) 8.052 14.522 ( 7.451 13.109 7.436) 16.812 17.063 ( 2.700 -1.811 0.882) 3.369 17.101 ( 3.142 -0.739 -3.334) 4.641 17.320 ( 0.518 4.272 2.724) 5.093 17.963 ( -2.149 3.289 1.485) 4.200 18.028 ( -0.844 4.718 0.910) 4.879 18.312 ( -9.166 -12.584 16.171) 22.447 18.454 ( -7.038 -2.046 -21.049) 22.289 20.281 ( -1.046 -5.107 2.482) 5.774 ======================= Grid point 18 (12/81) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -14.211 7.047 7.295) 17.460 1.898 ( 1.934 10.919 -6.204) 12.707 2.422 ( -5.385 -1.120 2.994) 6.262 2.638 ( -1.795 1.682 -2.599) 3.578 2.796 ( 3.676 -5.374 1.610) 6.706 2.903 ( 2.638 -0.295 -2.654) 3.753 2.945 ( -3.084 0.832 0.529) 3.238 3.229 ( -0.232 -1.311 -1.106) 1.731 3.313 ( 2.447 5.055 0.527) 5.641 3.712 ( -1.349 -0.290 0.367) 1.428 4.369 ( 6.160 -3.789 3.496) 8.033 4.426 ( 3.884 -4.952 -2.165) 6.655 4.924 ( -1.643 2.117 0.333) 2.701 5.349 ( 1.352 -3.842 0.682) 4.130 6.024 ( 7.442 1.489 -1.512) 7.739 6.138 ( 2.019 -0.077 0.966) 2.239 6.947 ( -3.788 4.477 1.245) 5.996 7.185 ( -2.855 3.129 -1.441) 4.475 7.240 ( -0.089 -0.471 0.353) 0.595 7.443 ( -1.743 1.215 -0.094) 2.126 7.589 ( 0.145 0.959 0.530) 1.106 7.757 ( 0.472 -2.485 -0.529) 2.584 7.932 ( 3.017 0.116 0.405) 3.047 7.991 ( -1.997 -2.940 -0.155) 3.557 9.054 ( -2.009 -2.485 0.019) 3.195 9.127 ( -1.058 -3.680 -0.436) 3.854 9.207 ( 1.394 3.515 -0.008) 3.782 9.309 ( -3.227 3.951 -0.917) 5.183 9.357 ( -0.779 2.417 0.423) 2.574 9.482 ( -4.155 3.011 0.800) 5.193 10.120 ( 2.433 -6.012 -1.479) 6.653 10.146 ( 1.629 -2.996 1.316) 3.655 10.979 ( -1.540 0.832 -0.682) 1.879 11.169 ( -3.432 2.938 2.438) 5.134 11.468 ( -0.653 0.343 -1.808) 1.952 11.547 ( -0.970 -5.656 -2.262) 6.168 12.167 ( -3.703 5.649 2.541) 7.216 12.426 ( 3.642 -4.488 1.162) 5.895 12.884 ( 0.913 4.313 -4.753) 6.483 12.965 ( 4.775 0.015 5.793) 7.507 13.102 ( -0.443 -6.173 2.430) 6.649 13.184 ( -0.987 3.015 -6.713) 7.425 13.747 ( 8.107 -2.312 -0.596) 8.451 13.852 ( -1.817 -4.716 0.533) 5.082 14.306 ( 0.337 -3.239 -6.124) 6.936 14.726 ( 0.652 11.120 8.740) 14.159 17.091 ( 3.311 -2.927 2.199) 4.936 17.131 ( 1.843 -2.268 -1.403) 3.242 17.413 ( 5.860 5.502 0.380) 8.047 17.675 ( -15.267 -12.008 1.088) 19.454 18.047 ( -2.711 6.806 1.535) 7.485 18.195 ( -1.424 3.738 -1.909) 4.433 18.489 ( 1.474 1.239 -5.837) 6.146 20.231 ( 1.116 -4.737 2.819) 5.624 ======================= Grid point 27 (13/81) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 9.834 17.033 -13.832) 24.045 1.876 ( 9.682 16.770 -14.935) 24.455 2.056 ( -6.206 -10.750 -8.228) 14.892 2.482 ( -0.847 -1.467 11.262) 11.389 2.778 ( 6.073 10.518 5.320) 13.259 2.810 ( 3.186 5.519 8.892) 10.940 2.946 ( -5.497 -9.522 9.526) 14.547 3.343 ( -3.265 -5.655 -0.698) 6.567 3.596 ( -4.925 -8.531 -2.458) 10.153 3.734 ( 0.547 0.948 -3.602) 3.765 4.062 ( 1.617 2.801 8.301) 8.909 4.172 ( 1.493 2.586 -8.804) 9.297 5.070 ( 2.401 4.158 1.835) 5.140 5.082 ( 3.417 5.918 -0.578) 6.858 5.646 ( 2.321 4.020 -1.779) 4.971 5.768 ( 6.583 11.401 2.312) 13.367 7.152 ( -0.459 -0.796 2.842) 2.987 7.195 ( -2.362 -4.092 -0.777) 4.788 7.390 ( -3.122 -5.407 0.182) 6.246 7.566 ( 0.861 1.492 -2.077) 2.698 7.631 ( -0.764 -1.323 -1.332) 2.027 7.665 ( 0.043 0.074 -1.516) 1.518 7.890 ( 0.602 1.042 1.853) 2.209 8.139 ( -3.512 -6.084 -0.197) 7.028 8.882 ( 2.279 3.947 0.039) 4.558 9.022 ( 6.320 10.947 0.306) 12.644 9.256 ( -2.232 -3.866 -0.705) 4.520 9.315 ( -4.221 -7.310 -0.348) 8.449 9.707 ( -0.449 -0.778 1.581) 1.818 9.788 ( -0.562 -0.974 0.674) 1.311 10.228 ( -6.349 -10.997 -3.391) 13.143 10.260 ( -5.747 -9.954 1.260) 11.562 11.174 ( -1.801 -3.119 1.402) 3.865 11.260 ( -2.453 -4.248 -1.570) 5.150 11.623 ( -0.898 -1.556 -0.387) 1.838 11.813 ( -3.991 -6.912 -2.895) 8.491 12.180 ( 3.292 5.701 0.148) 6.585 12.251 ( 2.050 3.551 2.434) 4.768 12.689 ( -1.158 -2.006 2.349) 3.299 12.793 ( -0.304 -0.526 9.061) 9.081 12.998 ( 3.019 5.230 -6.961) 9.215 13.264 ( 1.051 1.820 1.177) 2.409 13.508 ( -0.314 -0.543 -1.841) 1.945 13.901 ( 2.002 3.467 -1.673) 4.339 14.148 ( 10.964 18.990 9.192) 23.777 14.344 ( -1.640 -2.840 -14.803) 15.162 16.999 ( 1.860 3.221 -4.092) 5.530 17.037 ( -0.645 -1.117 0.140) 1.297 17.317 ( 0.566 0.981 3.258) 3.449 17.919 ( 3.410 5.906 0.306) 6.827 17.923 ( 5.611 9.718 2.341) 11.463 18.211 ( 3.720 6.444 5.532) 9.272 19.207 ( -21.185 -36.693 -6.165) 42.815 20.348 ( -2.846 -4.930 2.755) 6.324 ======================= Grid point 28 (14/81) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -13.965 -1.361 -1.859) 14.154 1.926 ( -5.675 20.497 -9.879) 23.450 2.280 ( 19.112 1.004 -9.361) 21.305 2.498 ( 5.608 -4.774 8.201) 11.023 2.792 ( -2.803 -5.905 8.260) 10.533 2.827 ( -0.110 1.806 -7.032) 7.261 2.990 ( 3.519 6.579 10.329) 12.742 3.253 ( -3.574 0.505 -3.391) 4.952 3.426 ( -7.608 -2.207 -1.390) 8.043 3.747 ( 0.677 -1.278 1.540) 2.112 4.130 ( 4.774 -0.356 8.906) 10.112 4.227 ( 4.855 -2.411 -8.830) 10.361 5.050 ( -5.581 4.754 0.804) 7.375 5.238 ( 7.345 -2.899 0.808) 7.938 5.748 ( 4.878 6.541 -2.629) 8.572 5.984 ( 6.403 7.889 2.352) 10.429 7.098 ( -4.726 2.273 0.948) 5.329 7.188 ( 2.828 -1.457 1.345) 3.454 7.300 ( -2.488 -2.471 -0.209) 3.513 7.562 ( -4.640 1.609 -2.011) 5.307 7.587 ( -0.368 0.551 -0.216) 0.697 7.698 ( 3.580 -2.986 -2.394) 5.240 7.887 ( -0.540 -0.818 2.395) 2.588 8.044 ( -1.729 -4.257 -0.213) 4.599 8.991 ( 4.352 5.007 -0.350) 6.643 9.164 ( -3.458 -3.518 -0.066) 4.934 9.211 ( 1.121 -4.030 -0.011) 4.183 9.233 ( 4.870 7.540 -0.205) 8.978 9.627 ( -9.687 1.344 0.528) 9.794 9.732 ( -5.384 -0.694 1.518) 5.637 10.056 ( -0.956 -10.155 -3.532) 10.794 10.111 ( -1.318 -7.385 1.863) 7.729 11.107 ( -4.816 0.684 0.211) 4.868 11.203 ( 0.917 -3.800 -0.368) 3.926 11.575 ( -3.714 -0.083 -0.081) 3.716 11.666 ( -4.756 -7.571 -3.140) 9.476 12.270 ( -0.070 6.781 2.229) 7.138 12.310 ( 2.734 -0.063 -0.185) 2.741 12.690 ( 3.217 -1.202 3.186) 4.684 12.831 ( 4.400 1.222 9.243) 10.309 13.091 ( 2.152 4.119 -6.792) 8.230 13.267 ( -2.716 -0.971 -3.337) 4.411 13.500 ( 2.744 -2.118 -2.221) 4.116 13.917 ( -0.812 -1.558 -0.422) 1.807 14.292 ( -0.374 -2.923 -11.256) 11.636 14.519 ( 10.470 17.452 11.234) 23.246 17.007 ( 0.105 -3.342 -0.183) 3.349 17.062 ( 2.162 1.785 -3.229) 4.277 17.348 ( 0.738 2.963 3.313) 4.506 18.035 ( 0.425 7.458 1.390) 7.599 18.076 ( 2.235 5.494 1.770) 6.190 18.283 ( -0.215 -3.919 14.942) 15.449 18.571 ( -14.842 -17.873 -21.110) 31.390 20.246 ( -2.315 -6.573 4.093) 8.082 ======================= Grid point 29 (15/81) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -16.096 8.148 7.673) 19.604 2.032 ( -2.696 14.940 -9.337) 17.823 2.452 ( 2.181 -1.582 2.248) 3.509 2.568 ( 8.496 -5.924 1.170) 10.423 2.740 ( 0.708 -2.517 4.149) 4.904 2.814 ( -0.577 -1.532 -7.520) 7.696 3.063 ( -2.410 6.947 1.716) 7.550 3.218 ( -1.124 -2.779 -3.345) 4.492 3.364 ( -1.523 7.442 0.742) 7.632 3.733 ( -1.103 -0.430 2.170) 2.472 4.204 ( 6.744 -5.115 7.553) 11.344 4.277 ( 5.836 -6.400 -6.467) 10.810 4.995 ( -4.064 2.015 0.404) 4.555 5.267 ( 2.390 -5.825 1.371) 6.443 5.915 ( 7.398 3.559 -2.358) 8.542 6.105 ( 2.318 1.442 1.779) 3.258 7.064 ( -3.674 5.149 1.359) 6.470 7.224 ( 1.513 0.018 0.862) 1.742 7.269 ( -1.859 3.693 -1.364) 4.354 7.505 ( -3.569 2.194 -0.754) 4.257 7.597 ( 0.281 1.167 0.895) 1.497 7.707 ( 1.634 -4.014 -1.794) 4.691 7.878 ( 1.605 -2.337 1.848) 3.384 7.991 ( -1.083 -2.179 -0.904) 2.596 9.054 ( 0.002 -0.960 -0.361) 1.026 9.107 ( -0.226 -1.481 -0.366) 1.542 9.226 ( 1.638 4.221 0.168) 4.531 9.370 ( 1.546 5.392 0.738) 5.657 9.464 ( -9.122 1.601 -1.493) 9.381 9.611 ( -7.311 1.085 1.760) 7.598 9.987 ( 3.349 -9.563 -2.957) 10.556 10.066 ( 2.548 -5.509 2.233) 6.468 11.038 ( -4.120 1.430 -1.002) 4.475 11.216 ( 1.948 0.886 1.699) 2.733 11.496 ( -4.276 -3.540 -0.490) 5.572 11.533 ( -3.272 -2.879 -2.568) 5.058 12.314 ( -3.004 7.878 3.237) 9.032 12.337 ( 1.215 -0.973 -1.235) 1.987 12.774 ( 8.138 -1.572 2.486) 8.654 12.934 ( 5.340 0.482 7.178) 8.960 13.089 ( -5.195 -2.920 -4.161) 7.269 13.217 ( 0.147 0.956 -7.837) 7.896 13.571 ( 7.389 -2.188 -0.907) 7.759 13.849 ( -2.870 -5.613 0.656) 6.338 14.264 ( 0.503 -3.008 -8.876) 9.385 14.819 ( 4.729 15.788 12.844) 20.895 16.992 ( 2.900 -4.178 0.316) 5.096 17.087 ( 0.547 -2.304 -0.459) 2.412 17.400 ( 1.831 3.591 2.170) 4.578 17.789 ( -14.198 -16.166 3.219) 21.755 18.169 ( -0.656 9.867 1.466) 9.997 18.260 ( -0.373 5.571 -1.691) 5.834 18.478 ( 1.234 1.342 -12.090) 12.227 20.156 ( 0.054 -7.404 5.224) 9.061 ======================= Grid point 30 (16/81) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -9.652 16.718 11.469) 22.454 2.093 ( -5.138 8.899 -9.246) 13.823 2.442 ( -0.826 1.430 4.831) 5.105 2.614 ( 5.049 -8.744 0.595) 10.114 2.728 ( -1.770 3.065 -1.561) 3.868 2.810 ( 3.235 -5.604 -3.598) 7.404 3.069 ( -4.960 8.591 -0.330) 9.925 3.189 ( 1.529 -2.648 -2.259) 3.801 3.412 ( -3.188 5.521 0.968) 6.449 3.717 ( -0.468 0.810 0.902) 1.299 4.241 ( 5.007 -8.672 6.205) 11.780 4.293 ( 4.799 -8.313 -4.448) 10.579 4.970 ( -1.462 2.532 -0.066) 2.924 5.250 ( 3.347 -5.798 1.622) 6.888 6.011 ( 1.238 -2.143 -1.960) 3.157 6.115 ( 0.948 -1.642 1.366) 2.337 7.061 ( -3.608 6.249 1.699) 7.413 7.234 ( 0.119 -0.206 0.759) 0.796 7.280 ( -3.315 5.742 -2.776) 7.188 7.488 ( -1.949 3.375 0.439) 3.922 7.609 ( -0.533 0.924 1.432) 1.786 7.695 ( 2.183 -3.780 -1.025) 4.484 7.885 ( 2.441 -4.227 1.546) 5.120 7.968 ( -0.108 0.187 -1.664) 1.678 9.046 ( -0.665 1.151 0.494) 1.418 9.093 ( -0.142 0.247 -0.735) 0.788 9.273 ( -1.764 3.056 -0.919) 3.646 9.390 ( -2.389 4.139 -1.665) 5.061 9.401 ( -1.376 2.382 1.544) 3.155 9.555 ( -2.180 3.777 1.355) 4.567 9.970 ( 4.967 -8.603 -2.699) 10.294 10.064 ( 3.050 -5.282 2.203) 6.485 11.009 ( -1.484 2.570 -1.315) 3.246 11.253 ( -2.256 3.908 3.761) 5.874 11.418 ( 3.695 -6.399 -2.852) 7.921 11.496 ( -1.407 2.437 -1.426) 3.154 12.326 ( -5.930 10.270 3.941) 12.497 12.341 ( 1.882 -3.260 -1.771) 4.160 12.909 ( 2.668 -4.622 6.498) 8.408 12.929 ( 4.937 -8.551 -1.904) 10.055 13.004 ( -2.459 4.260 -1.923) 5.281 13.234 ( -0.510 0.883 -7.189) 7.261 13.662 ( 4.152 -7.192 1.039) 8.370 13.756 ( 1.362 -2.360 0.003) 2.725 14.253 ( 1.283 -2.223 -7.932) 8.337 14.943 ( -5.875 10.175 13.318) 17.760 17.023 ( 2.473 -4.284 3.764) 6.216 17.047 ( 3.095 -5.360 -1.008) 6.271 17.499 ( 0.855 -1.480 3.598) 3.983 17.511 ( -0.182 0.315 -3.511) 3.530 18.214 ( -5.344 9.256 1.637) 10.813 18.289 ( -3.003 5.202 -4.184) 7.321 18.500 ( 0.095 -0.165 -9.029) 9.031 20.118 ( 3.669 -6.355 5.696) 9.290 ======================= Grid point 41 (17/81) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -0.069 -0.120 4.743) 4.745 2.204 ( 3.333 5.772 -9.677) 11.750 2.348 ( 3.592 6.222 -1.949) 7.444 2.419 ( -1.166 -2.020 4.374) 4.958 2.702 ( -1.600 -2.772 6.542) 7.283 2.845 ( 0.103 0.179 -5.992) 5.995 3.117 ( 3.610 6.253 2.776) 7.736 3.215 ( -2.435 -4.218 -5.591) 7.415 3.445 ( 2.344 4.061 -0.297) 4.698 3.733 ( -0.115 -0.200 5.304) 5.309 4.111 ( -0.835 -1.446 10.051) 10.189 4.177 ( -1.457 -2.524 -10.548) 10.943 5.062 ( -1.494 -2.588 0.213) 2.996 5.195 ( -1.053 -1.824 1.869) 2.816 5.867 ( 3.391 5.874 -2.625) 7.273 6.092 ( 1.501 2.600 2.119) 3.675 7.139 ( 0.911 1.577 0.161) 1.828 7.194 ( 0.825 1.429 2.387) 2.901 7.305 ( 1.923 3.330 -0.936) 3.958 7.575 ( -0.157 -0.271 -0.812) 0.870 7.600 ( 0.464 0.803 1.000) 1.364 7.647 ( -1.155 -2.000 -3.294) 4.023 7.850 ( -1.452 -2.516 2.666) 3.943 7.989 ( -0.892 -1.545 -1.175) 2.136 9.046 ( 0.639 1.106 -0.603) 1.412 9.105 ( -0.896 -1.553 -0.447) 1.848 9.231 ( 3.254 5.636 0.480) 6.526 9.383 ( 3.306 5.726 0.687) 6.647 9.601 ( -2.900 -5.023 0.147) 5.802 9.671 ( -2.913 -5.046 0.345) 5.837 9.895 ( -2.942 -5.096 -3.308) 6.750 9.995 ( -2.301 -3.986 2.519) 5.247 11.124 ( -1.181 -2.045 -1.559) 2.830 11.151 ( 1.061 1.838 0.497) 2.180 11.512 ( -4.594 -7.957 -2.454) 9.510 11.569 ( -0.397 -0.687 2.045) 2.194 12.308 ( 0.355 0.616 -4.581) 4.636 12.412 ( 3.920 6.789 3.568) 8.613 12.694 ( 0.940 1.628 4.672) 5.036 12.853 ( 0.293 0.508 8.673) 8.692 13.152 ( 0.930 1.611 -6.809) 7.058 13.195 ( -3.131 -5.422 -6.516) 9.037 13.498 ( 1.327 2.299 -1.136) 2.887 13.843 ( -3.129 -5.420 -0.209) 6.261 14.244 ( -1.000 -1.732 -9.125) 9.342 14.857 ( 9.108 15.776 13.996) 22.972 16.944 ( -1.544 -2.674 -0.320) 3.105 17.071 ( -0.951 -1.648 -0.248) 1.919 17.403 ( 1.529 2.648 2.719) 4.091 17.831 ( -11.266 -19.513 4.726) 23.021 18.225 ( 5.097 8.828 0.652) 10.214 18.296 ( 3.061 5.302 -0.682) 6.159 18.475 ( 0.313 0.541 -15.192) 15.205 20.114 ( -3.778 -6.544 6.270) 9.819 ======================= Grid point 42 (18/81) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -7.884 13.625 10.743) 19.058 2.253 ( -3.425 8.285 -9.034) 12.728 2.345 ( 4.775 -11.469 10.033) 15.968 2.479 ( 3.670 -2.270 -6.895) 8.134 2.686 ( 1.894 -2.463 3.609) 4.762 2.858 ( -2.147 6.088 -5.173) 8.272 3.134 ( -0.319 -5.521 -4.086) 6.876 3.205 ( -0.967 6.307 -0.789) 6.429 3.535 ( -1.420 9.699 1.048) 9.858 3.733 ( -0.121 0.214 3.973) 3.980 4.084 ( 2.625 -6.581 8.847) 11.334 4.137 ( 2.768 -7.317 -9.150) 12.038 5.015 ( -1.780 0.350 -0.618) 1.917 5.153 ( 0.842 -5.167 2.417) 5.766 5.969 ( 3.220 2.658 -1.537) 4.449 6.091 ( -0.664 -2.485 1.257) 2.863 7.161 ( -1.661 4.131 1.228) 4.619 7.222 ( 1.200 -0.013 1.258) 1.739 7.381 ( -0.523 6.547 -2.758) 7.124 7.562 ( -2.381 3.019 0.072) 3.846 7.613 ( 1.186 -1.365 0.642) 1.919 7.626 ( 0.793 -2.003 -0.064) 2.155 7.809 ( 0.848 -4.139 2.298) 4.810 7.973 ( -0.276 -0.184 -2.358) 2.381 9.073 ( 0.327 2.622 1.055) 2.845 9.110 ( 0.164 1.787 -1.224) 2.173 9.331 ( 0.325 5.333 -0.365) 5.355 9.439 ( -0.532 1.688 1.261) 2.173 9.474 ( -5.306 -0.188 -1.575) 5.538 9.584 ( -0.530 -5.199 0.648) 5.266 9.847 ( 0.767 -2.777 -2.407) 3.754 9.956 ( 2.445 -5.485 2.168) 6.385 11.080 ( -3.235 2.835 -1.628) 4.599 11.233 ( 6.115 0.724 -0.243) 6.163 11.362 ( -4.395 -7.029 -1.391) 8.406 11.554 ( -1.703 1.846 4.003) 4.725 12.323 ( -0.285 1.698 -7.979) 8.163 12.521 ( -1.849 10.754 4.559) 11.826 12.738 ( 3.930 -2.488 4.124) 6.216 12.831 ( 1.927 -8.438 5.596) 10.307 13.092 ( -3.973 2.098 -4.938) 6.676 13.189 ( 3.208 -4.112 -5.469) 7.557 13.565 ( 3.204 1.850 -0.579) 3.745 13.731 ( -2.531 -5.848 -0.649) 6.406 14.223 ( 0.177 -1.297 -7.127) 7.246 15.088 ( 1.567 10.807 15.200) 18.716 16.922 ( 2.651 -2.652 0.689) 3.813 16.991 ( -2.418 -6.674 2.291) 7.459 17.455 ( 2.150 2.101 1.321) 3.283 17.558 ( -5.423 -6.754 -1.077) 8.728 18.358 ( -0.152 8.262 0.248) 8.267 18.375 ( -0.500 5.298 -4.453) 6.939 18.487 ( 0.689 -0.444 -11.378) 11.407 20.016 ( 0.175 -6.198 7.911) 10.052 ======================= Grid point 54 (19/81) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -7.311 -12.662 10.995) 18.294 2.081 ( 7.311 12.662 10.995) 18.294 2.392 ( -3.139 -5.438 -8.416) 10.500 2.392 ( 3.139 5.438 -8.416) 10.500 2.667 ( -0.000 -0.000 4.078) 4.078 3.004 ( -3.860 -6.686 -4.504) 8.938 3.004 ( 3.860 6.686 -4.504) 8.938 3.270 ( -0.000 -0.000 -1.371) 1.371 3.700 ( -2.687 -4.655 3.585) 6.460 3.700 ( 2.687 4.655 3.585) 6.460 4.000 ( -0.000 -0.000 9.737) 9.737 4.049 ( -0.000 -0.000 -11.937) 11.937 5.018 ( -0.000 -0.000 -1.236) 1.236 5.097 ( -0.000 -0.000 2.904) 2.904 6.029 ( -1.705 -2.954 0.000) 3.411 6.029 ( 1.705 2.954 0.000) 3.411 7.213 ( -0.653 -1.132 1.259) 1.814 7.213 ( 0.653 1.132 1.259) 1.814 7.502 ( -2.897 -5.018 -3.454) 6.745 7.502 ( 2.897 5.018 -3.454) 6.745 7.629 ( -0.087 -0.151 2.723) 2.728 7.629 ( 0.087 0.151 2.723) 2.728 7.752 ( -0.000 -0.000 2.327) 2.327 7.972 ( -0.000 -0.000 -2.994) 2.994 9.114 ( -0.000 -0.000 2.679) 2.679 9.138 ( -0.000 -0.000 -1.950) 1.950 9.428 ( -2.108 -3.651 -0.476) 4.243 9.428 ( 2.108 3.651 -0.476) 4.243 9.477 ( -0.911 -1.578 -0.646) 1.934 9.477 ( 0.911 1.578 -0.646) 1.934 9.867 ( -1.694 -2.934 0.471) 3.420 9.867 ( 1.694 2.934 0.471) 3.420 11.122 ( -0.000 -0.000 -2.311) 2.311 11.258 ( -1.451 -2.513 -1.109) 3.107 11.258 ( 1.451 2.513 -1.109) 3.107 11.575 ( -0.000 -0.000 7.373) 7.373 12.362 ( 0.000 0.000 -14.539) 14.539 12.675 ( -1.181 -2.046 5.928) 6.381 12.675 ( 1.181 2.046 5.928) 6.381 12.730 ( 0.000 0.000 5.696) 5.696 13.120 ( -0.547 -0.947 -4.182) 4.323 13.120 ( 0.547 0.947 -4.182) 4.323 13.630 ( -2.216 -3.838 -1.366) 4.638 13.630 ( 2.216 3.838 -1.366) 4.638 14.211 ( -0.000 -0.000 -6.089) 6.089 15.200 ( -0.000 -0.000 16.061) 16.061 16.902 ( -0.639 -1.106 1.743) 2.161 16.902 ( 0.639 1.106 1.743) 2.161 17.488 ( -0.868 -1.504 -0.512) 1.811 17.488 ( 0.868 1.504 -0.512) 1.811 18.446 ( -0.040 -0.069 -0.437) 0.444 18.446 ( 0.040 0.069 -0.437) 0.444 18.464 ( -0.000 -0.000 -16.519) 16.519 19.949 ( -0.000 -0.000 9.249) 9.249 ======================= Grid point 157 (20/81) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.000 -0.000 34.221) 34.221 0.744 ( -0.000 0.000 34.221) 34.221 1.022 ( -0.000 0.000 47.132) 47.132 2.542 ( 0.000 -0.000 -18.641) 18.641 2.542 ( 0.000 0.000 -18.641) 18.641 3.525 ( 0.000 0.000 -26.849) 26.849 3.529 ( 0.000 0.000 7.877) 7.877 3.529 ( 0.000 0.000 7.877) 7.877 3.740 ( 0.000 -0.000 0.281) 0.281 3.740 ( 0.000 -0.000 0.281) 0.281 3.843 ( 0.000 0.000 6.032) 6.032 4.225 ( 0.000 0.000 2.380) 2.380 4.822 ( 0.000 -0.000 2.907) 2.907 4.822 ( 0.000 -0.000 2.907) 2.907 5.157 ( 0.000 0.000 -3.983) 3.983 5.157 ( -0.000 -0.000 -3.983) 3.983 7.378 ( 0.000 0.000 2.329) 2.329 7.378 ( -0.000 0.000 2.329) 2.329 7.387 ( 0.000 0.000 3.875) 3.875 7.648 ( 0.000 -0.000 -3.677) 3.677 7.648 ( 0.000 0.000 -3.677) 3.677 7.745 ( 0.000 -0.000 -3.623) 3.623 7.856 ( 0.000 -0.000 7.083) 7.083 8.483 ( 0.000 -0.000 -7.033) 7.033 9.008 ( 0.000 0.000 2.120) 2.120 9.126 ( -0.000 0.000 -0.060) 0.060 9.371 ( 0.000 0.000 4.175) 4.175 9.371 ( 0.000 0.000 4.175) 4.175 9.696 ( 0.000 0.000 -2.993) 2.993 9.696 ( 0.000 0.000 -2.993) 2.993 10.991 ( -0.000 0.000 1.990) 1.990 11.169 ( 0.000 0.000 -1.828) 1.828 11.477 ( 0.000 0.000 0.581) 0.581 11.477 ( 0.000 -0.000 0.581) 0.581 11.530 ( 0.000 -0.000 -0.557) 0.557 11.530 ( 0.000 0.000 -0.557) 0.557 12.128 ( 0.000 0.000 1.224) 1.224 12.233 ( 0.000 -0.000 -1.024) 1.024 12.654 ( 0.000 -0.000 4.305) 4.305 12.654 ( 0.000 0.000 4.305) 4.305 13.067 ( 0.000 -0.000 -4.843) 4.843 13.067 ( 0.000 0.000 -4.843) 4.843 13.194 ( 0.000 -0.000 1.351) 1.351 13.194 ( 0.000 0.000 1.351) 1.351 13.281 ( -0.000 -0.000 -0.997) 0.997 13.281 ( 0.000 0.000 -0.997) 0.997 16.887 ( 0.000 0.000 1.030) 1.030 16.982 ( 0.000 0.000 -0.997) 0.997 17.408 ( -0.000 -0.000 3.211) 3.211 17.408 ( 0.000 0.000 3.211) 3.211 17.686 ( 0.000 0.000 -2.783) 2.783 17.686 ( -0.000 -0.000 -2.783) 2.783 21.179 ( 0.000 -0.000 0.140) 0.140 21.187 ( 0.000 0.000 -0.021) 0.021 ======================= Grid point 158 (21/81) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 17.133 6.091 14.691) 23.377 0.902 ( 21.124 -16.833 31.974) 41.856 1.552 ( 23.700 31.668 34.506) 52.491 2.339 ( -7.082 -10.533 -21.402) 24.882 2.665 ( -1.846 9.041 -14.347) 17.059 3.246 ( -16.627 -7.205 14.658) 23.307 3.402 ( -10.120 1.145 -2.137) 10.407 3.581 ( 4.742 -8.359 -1.716) 9.762 3.677 ( 4.856 -4.151 -5.753) 8.597 3.752 ( 3.684 5.076 1.931) 6.563 3.969 ( 0.580 5.397 1.290) 5.579 4.128 ( -7.477 -5.451 1.675) 9.404 4.827 ( -0.157 1.653 4.012) 4.342 4.977 ( 5.532 1.427 -4.168) 7.072 5.205 ( 3.282 3.314 -4.327) 6.362 5.264 ( 9.069 5.497 -6.158) 12.263 7.297 ( -4.140 -0.695 2.456) 4.864 7.403 ( 1.957 0.422 1.488) 2.494 7.481 ( 2.195 1.540 2.558) 3.706 7.561 ( -1.854 -3.117 -1.122) 3.797 7.661 ( 0.121 1.306 -2.794) 3.086 7.746 ( -0.381 -2.323 1.273) 2.676 7.830 ( -1.896 -1.486 5.869) 6.344 8.420 ( -5.120 -2.986 -6.664) 8.919 8.715 ( -8.968 -4.620 9.909) 14.141 8.949 ( -4.341 -2.595 0.029) 5.057 9.372 ( -0.363 0.413 4.145) 4.182 9.568 ( 2.205 4.179 0.936) 4.817 9.692 ( 0.491 -3.110 -2.122) 3.797 9.734 ( 3.621 0.184 -1.982) 4.132 10.840 ( -9.226 -5.668 -0.640) 10.847 10.957 ( -13.763 -7.702 -1.654) 15.858 11.448 ( -2.395 -2.685 0.704) 3.666 11.482 ( -3.474 -1.806 0.468) 3.944 11.650 ( 4.159 4.817 0.685) 6.401 11.716 ( 11.322 5.128 -0.465) 12.438 12.013 ( -0.669 2.117 4.795) 5.284 12.144 ( -5.859 -3.537 -0.335) 6.852 12.722 ( 4.646 0.775 2.993) 5.581 12.905 ( -3.881 -1.749 -7.846) 8.926 12.971 ( -4.845 -4.462 -1.655) 6.791 13.181 ( -2.139 15.440 -6.087) 16.734 13.285 ( 6.192 5.911 -0.799) 8.598 13.353 ( 8.059 4.311 1.766) 9.309 13.410 ( 10.962 0.931 0.715) 11.025 13.681 ( 42.310 7.942 -25.081) 49.822 16.891 ( 1.063 -0.751 0.515) 1.399 16.985 ( 0.399 0.376 -1.437) 1.538 17.433 ( 2.423 2.144 1.898) 3.751 17.486 ( 2.603 4.313 5.357) 7.354 17.696 ( 3.181 -0.258 -3.572) 4.790 17.765 ( 3.793 5.985 -1.675) 7.281 20.816 ( -20.619 -10.984 11.540) 26.057 20.967 ( -18.201 -10.885 0.116) 21.208 ======================= Grid point 159 (22/81) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 21.407 -8.432 22.055) 31.871 1.263 ( 34.005 4.015 -5.661) 34.706 2.112 ( -7.113 -10.681 -19.481) 23.327 2.228 ( 19.034 28.068 24.184) 41.653 2.676 ( -6.088 9.459 -9.086) 14.460 2.991 ( -9.157 -1.824 10.802) 14.278 3.227 ( -11.318 -0.261 -1.913) 11.481 3.485 ( -4.907 -7.640 2.008) 9.300 3.723 ( 4.594 -4.201 -4.505) 7.684 3.889 ( -10.208 -7.251 3.400) 12.975 3.956 ( 12.225 1.971 -5.930) 13.730 4.026 ( 0.001 4.826 0.799) 4.892 4.852 ( 0.815 2.356 5.580) 6.112 5.086 ( 7.066 4.136 0.352) 8.195 5.296 ( 3.425 2.685 -4.266) 6.094 5.478 ( 8.986 5.546 -6.539) 12.420 7.220 ( -4.550 -0.590 1.956) 4.987 7.399 ( -4.905 0.044 -0.462) 4.927 7.452 ( 2.968 -3.533 1.435) 4.832 7.617 ( 3.389 -0.853 3.110) 4.678 7.638 ( -4.078 -0.389 1.975) 4.547 7.721 ( 0.625 0.107 1.031) 1.210 7.795 ( 0.101 -0.803 0.402) 0.903 8.288 ( -6.193 -3.829 -7.035) 10.125 8.712 ( 5.113 3.628 1.923) 6.557 8.860 ( -2.667 -1.477 -1.425) 3.365 9.362 ( -0.853 -0.242 3.790) 3.892 9.610 ( -1.571 4.600 1.828) 5.193 9.651 ( -0.179 -5.553 -1.311) 5.709 9.763 ( -0.445 -1.458 -0.621) 1.646 10.599 ( -10.877 -7.804 -1.707) 13.496 10.643 ( -14.020 -7.461 -1.395) 15.942 11.337 ( -6.558 -2.969 2.088) 7.496 11.405 ( -3.106 -2.724 -0.119) 4.133 11.682 ( -1.026 -0.696 2.937) 3.188 11.904 ( 3.690 0.954 -2.993) 4.846 12.047 ( 0.750 -1.538 2.408) 2.954 12.106 ( 4.002 6.739 1.693) 8.019 12.753 ( -0.960 -0.735 -2.706) 2.964 12.784 ( -6.528 -0.665 -6.020) 8.905 12.940 ( 4.310 -2.142 4.359) 6.494 13.252 ( -2.751 9.952 -4.294) 11.183 13.473 ( 5.124 10.147 3.206) 11.811 13.522 ( 9.275 -0.428 2.693) 9.668 13.663 ( 14.208 7.130 1.058) 15.932 14.208 ( 21.297 -5.251 -15.609) 26.921 16.913 ( 2.968 -1.589 -0.191) 3.372 17.008 ( 1.475 1.211 -1.956) 2.733 17.447 ( -1.923 -0.805 7.552) 7.835 17.604 ( 4.599 8.296 3.509) 10.113 17.770 ( 4.124 1.650 -2.415) 5.056 17.917 ( 5.738 7.491 -2.584) 9.783 20.403 ( -29.816 -18.743 1.408) 35.246 20.488 ( -10.580 -4.402 0.498) 11.470 ======================= Grid point 160 (23/81) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 18.604 -5.859 18.796) 27.087 1.839 ( 10.601 0.534 -12.375) 16.303 1.922 ( 12.571 -4.572 -13.573) 19.057 2.611 ( 0.744 9.012 7.833) 11.963 2.693 ( -2.758 10.781 -4.003) 11.826 2.923 ( 0.159 5.575 8.493) 10.161 3.033 ( -10.633 0.124 0.571) 10.649 3.321 ( -5.424 -5.875 2.745) 8.454 3.616 ( -10.749 -9.652 0.517) 14.456 3.729 ( -0.273 -2.217 -3.469) 4.126 4.100 ( 2.394 7.651 0.601) 8.040 4.190 ( 13.063 -0.662 -3.487) 13.537 4.896 ( 1.602 2.066 6.415) 6.928 5.318 ( 10.599 10.646 1.452) 15.093 5.362 ( 4.525 -1.876 -3.530) 6.038 5.682 ( 8.970 6.229 -4.834) 11.943 7.127 ( -5.167 -1.416 1.890) 5.681 7.312 ( -4.165 -1.679 -1.629) 4.777 7.453 ( -1.500 -1.922 3.298) 4.102 7.542 ( -3.182 -2.871 2.593) 5.009 7.613 ( -0.445 -2.033 3.295) 3.897 7.761 ( 2.377 -1.003 -1.679) 3.078 7.817 ( 0.686 3.219 -1.134) 3.481 8.153 ( -5.282 -3.189 -6.617) 9.047 8.848 ( 3.364 1.975 0.134) 3.903 8.897 ( 8.573 5.323 -0.877) 10.129 9.340 ( -0.782 -1.282 3.266) 3.595 9.580 ( -0.832 -8.499 0.592) 8.560 9.585 ( -7.424 5.026 -0.675) 8.991 9.672 ( -7.093 -4.122 -0.237) 8.207 10.354 ( -9.041 -6.565 -1.164) 11.234 10.379 ( -8.603 -5.182 -1.283) 10.125 11.195 ( -6.487 -2.893 2.747) 7.616 11.324 ( -3.419 -2.512 -0.693) 4.299 11.630 ( -2.801 -2.469 2.618) 4.560 11.846 ( -4.228 -4.321 -3.085) 6.787 12.127 ( 4.202 1.306 2.762) 5.195 12.248 ( 4.729 6.281 0.331) 7.869 12.697 ( -2.159 -0.693 -5.015) 5.503 12.737 ( -2.300 3.757 -4.701) 6.442 13.018 ( 6.446 -2.020 5.946) 9.000 13.287 ( -1.845 5.248 -1.686) 5.813 13.633 ( 8.421 -1.033 3.253) 9.086 13.665 ( 4.556 6.327 3.611) 8.592 13.987 ( 11.815 12.904 1.164) 17.534 14.396 ( 10.683 -8.763 -6.190) 15.141 16.960 ( 4.072 -1.177 -0.559) 4.276 17.053 ( 2.142 1.159 -1.826) 3.044 17.388 ( -3.841 0.441 8.463) 9.304 17.775 ( 6.648 6.019 1.862) 9.160 17.856 ( 3.176 3.078 -0.719) 4.481 18.071 ( 3.706 5.660 -6.786) 9.582 19.672 ( -31.156 -21.621 7.034) 38.570 20.324 ( -6.631 -1.402 -8.079) 10.546 ======================= Grid point 161 (24/81) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 15.211 -2.508 15.264) 21.695 1.644 ( -10.901 -5.000 1.712) 12.115 2.387 ( 23.322 1.568 -15.575) 28.088 2.598 ( -4.699 0.136 3.065) 5.612 2.727 ( -2.693 8.197 -5.758) 10.373 2.891 ( -6.278 1.358 0.516) 6.443 2.955 ( -3.367 -0.055 1.419) 3.655 3.240 ( -0.382 -0.256 7.206) 7.220 3.364 ( -7.989 -8.116 -0.527) 11.401 3.681 ( -3.189 -1.036 -6.349) 7.180 4.252 ( 4.630 9.597 1.553) 10.768 4.373 ( 9.796 -1.424 -0.829) 9.933 4.938 ( 1.151 1.561 6.340) 6.630 5.373 ( -0.668 0.591 -3.660) 3.767 5.652 ( 16.203 6.915 2.141) 17.747 5.904 ( 9.198 7.125 -2.795) 11.966 7.026 ( -4.848 -1.514 2.188) 5.530 7.226 ( -3.613 -2.301 -1.948) 4.706 7.361 ( -5.038 -2.026 3.508) 6.465 7.490 ( -1.199 -2.671 1.307) 3.206 7.595 ( -0.039 -0.589 2.568) 2.636 7.770 ( 0.749 -1.972 -3.073) 3.727 7.859 ( 0.663 2.903 -0.583) 3.034 8.057 ( -3.335 -1.778 -5.434) 6.619 8.968 ( 7.157 4.125 1.721) 8.438 9.111 ( 9.079 5.405 -1.372) 10.655 9.314 ( -0.227 -2.304 2.556) 3.449 9.388 ( -12.576 -4.958 0.764) 13.539 9.465 ( -8.060 -9.634 -0.841) 12.589 9.513 ( -5.802 2.000 -1.338) 6.281 10.212 ( -3.247 -1.314 0.082) 3.504 10.247 ( -2.834 -3.301 -0.662) 4.401 11.074 ( -4.562 -2.354 2.943) 5.917 11.242 ( -3.957 -1.586 -0.894) 4.356 11.554 ( -2.640 -3.003 2.325) 4.625 11.723 ( -4.421 -5.234 -2.216) 7.201 12.175 ( -0.050 1.347 3.687) 3.926 12.365 ( 2.982 4.209 -1.754) 5.449 12.686 ( 0.803 -0.287 -6.063) 6.123 12.773 ( 0.985 5.779 -5.227) 7.854 13.105 ( 5.900 -1.782 5.763) 8.438 13.295 ( -1.266 1.747 1.547) 2.655 13.743 ( 9.202 -6.339 2.612) 11.476 13.791 ( 1.197 9.049 3.116) 9.645 14.291 ( 8.532 13.131 -0.109) 15.660 14.431 ( 3.827 -7.397 -1.212) 8.416 17.018 ( 3.198 -0.254 -1.470) 3.529 17.095 ( 2.176 0.012 -1.474) 2.628 17.351 ( -1.830 2.466 6.251) 6.964 17.904 ( 2.210 2.266 0.132) 3.168 17.948 ( 4.027 3.799 0.298) 5.545 18.093 ( -5.678 -0.591 -14.945) 15.998 19.043 ( -17.531 -16.680 19.108) 30.833 20.220 ( -5.168 0.204 -11.456) 12.569 ======================= Grid point 162 (25/81) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -11.919 0.868 15.020) 19.194 1.859 ( 13.626 -1.530 12.565) 18.598 2.478 ( -7.757 -1.053 -0.425) 7.840 2.660 ( 8.036 -2.989 -4.821) 9.836 2.766 ( -0.095 3.757 -3.285) 4.992 2.841 ( -0.412 1.668 -4.439) 4.760 2.882 ( -2.691 -2.020 -2.066) 3.948 3.215 ( -3.023 -3.214 -3.412) 5.578 3.268 ( 2.326 1.351 3.244) 4.214 3.619 ( -2.807 -0.521 -8.338) 8.813 4.403 ( 2.858 7.183 2.029) 7.993 4.485 ( 4.953 -1.486 0.891) 5.247 4.961 ( 0.211 0.787 5.875) 5.932 5.357 ( -1.181 -0.001 -3.233) 3.442 5.958 ( 12.112 4.643 1.561) 13.065 6.095 ( 5.373 4.846 -1.052) 7.312 6.946 ( -3.318 -0.279 2.535) 4.185 7.154 ( -1.805 -2.605 -1.733) 3.612 7.283 ( -2.346 -0.661 2.618) 3.578 7.444 ( -1.430 -1.540 0.250) 2.116 7.598 ( 0.256 0.475 1.906) 1.981 7.756 ( -0.281 -1.332 -2.821) 3.132 7.900 ( 1.499 1.667 -1.037) 2.470 7.996 ( -2.494 -1.237 -3.800) 4.711 9.134 ( 6.813 3.205 1.959) 7.779 9.144 ( -8.774 -4.213 0.274) 9.737 9.232 ( -8.683 -5.164 -1.354) 10.193 9.271 ( 2.978 1.437 0.727) 3.386 9.300 ( 2.082 -0.435 0.268) 2.144 9.450 ( -3.046 0.234 -0.911) 3.188 10.186 ( -0.806 1.188 0.843) 1.665 10.199 ( -0.210 -2.175 0.662) 2.283 11.003 ( -1.503 -1.471 2.571) 3.321 11.161 ( -4.463 -0.146 -0.571) 4.502 11.500 ( -0.314 -2.393 2.156) 3.236 11.609 ( -3.086 -4.514 -1.390) 5.642 12.166 ( -2.089 1.758 4.255) 5.055 12.435 ( 1.048 3.201 -2.686) 4.308 12.701 ( 2.380 -2.612 -7.525) 8.313 12.855 ( 1.375 5.177 -7.440) 9.167 13.180 ( 4.563 -0.846 5.734) 7.377 13.280 ( -1.061 -0.771 4.218) 4.417 13.820 ( 3.983 -1.097 3.128) 5.182 13.877 ( 2.097 2.921 1.879) 4.057 14.375 ( 2.843 -10.037 0.879) 10.468 14.543 ( 1.826 15.240 -1.462) 15.418 17.059 ( 1.543 1.149 -3.550) 4.038 17.126 ( 1.656 -0.652 -1.676) 2.445 17.376 ( 1.365 3.550 3.862) 5.420 17.766 ( -15.270 -7.577 -10.089) 19.809 17.982 ( -0.130 2.132 0.464) 2.185 18.067 ( 3.800 -0.227 -3.453) 5.140 18.802 ( -0.552 -7.016 22.664) 23.732 20.153 ( -3.759 1.627 -12.396) 13.055 ======================= Grid point 163 (26/81) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -4.543 7.868 21.085) 22.959 1.997 ( 3.878 -6.717 11.347) 13.744 2.376 ( -1.356 2.349 0.821) 2.834 2.683 ( 1.740 -3.014 4.001) 5.303 2.793 ( -0.513 0.889 -5.267) 5.366 2.839 ( -0.084 0.146 -2.920) 2.925 2.867 ( 0.280 -0.485 -7.970) 7.989 3.179 ( 0.034 -0.059 -4.665) 4.666 3.306 ( 0.181 -0.314 -0.628) 0.725 3.590 ( -0.163 0.282 -8.774) 8.780 4.468 ( -1.898 3.287 1.735) 4.174 4.515 ( 1.185 -2.052 1.920) 3.050 4.965 ( -0.178 0.308 5.679) 5.690 5.346 ( -0.344 0.596 -3.113) 3.188 6.099 ( 0.981 -1.699 0.843) 2.135 6.158 ( -0.632 1.095 -0.101) 1.269 6.916 ( -0.875 1.515 2.696) 3.214 7.125 ( 0.949 -1.643 -1.552) 2.451 7.264 ( -0.207 0.359 2.153) 2.193 7.423 ( 0.031 -0.054 -0.131) 0.145 7.604 ( -0.300 0.519 1.607) 1.715 7.745 ( 0.294 -0.510 -2.437) 2.507 7.938 ( 0.473 -0.820 -2.050) 2.258 7.951 ( -0.599 1.037 -2.493) 2.766 9.042 ( 0.016 -0.028 0.016) 0.036 9.118 ( 0.142 -0.245 -1.619) 1.643 9.227 ( -0.131 0.226 1.594) 1.616 9.277 ( 1.049 -1.817 2.064) 2.943 9.337 ( -0.430 0.745 -0.486) 0.988 9.425 ( -0.548 0.949 -0.776) 1.342 10.187 ( -0.848 1.469 1.077) 2.009 10.188 ( 0.923 -1.598 1.377) 2.302 10.988 ( 0.639 -1.106 2.121) 2.476 11.115 ( -1.593 2.760 -0.194) 3.193 11.492 ( 1.112 -1.926 2.401) 3.272 11.553 ( 1.117 -1.935 -1.389) 2.631 12.155 ( -1.459 2.527 4.278) 5.178 12.460 ( -1.304 2.259 -2.747) 3.788 12.709 ( 2.607 -4.516 -8.057) 9.597 12.895 ( -1.772 3.070 -9.039) 9.709 13.239 ( -0.331 0.573 6.260) 6.295 13.244 ( 1.967 -3.407 4.866) 6.258 13.849 ( -1.100 1.906 3.715) 4.318 13.911 ( 1.179 -2.042 1.238) 2.663 14.343 ( 4.716 -8.169 1.966) 9.635 14.639 ( -6.203 10.744 -2.725) 12.702 17.088 ( -1.869 3.237 -3.572) 5.170 17.132 ( 1.475 -2.555 -3.648) 4.692 17.476 ( -2.094 3.627 -3.355) 5.366 17.500 ( 1.909 -3.306 0.423) 3.841 17.994 ( -1.142 1.978 0.740) 2.400 18.100 ( 1.433 -2.483 -2.988) 4.141 18.777 ( 2.660 -4.608 20.948) 21.613 20.129 ( -1.746 3.025 -12.529) 13.007 ======================= Grid point 171 (27/81) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 8.921 15.452 10.172) 20.538 0.908 ( 9.092 15.747 11.032) 21.269 2.124 ( -6.029 -10.443 -21.305) 24.480 2.203 ( 18.481 32.010 26.281) 45.353 2.770 ( 0.097 0.168 -2.951) 2.958 3.101 ( -3.804 -6.588 11.250) 13.581 3.395 ( -3.802 -6.586 -5.159) 9.189 3.446 ( 0.294 0.509 1.918) 2.006 3.587 ( -2.427 -4.203 -8.163) 9.497 3.870 ( 3.361 5.821 -3.258) 7.469 3.947 ( -6.724 -11.646 3.584) 13.917 4.052 ( 1.750 3.032 0.947) 3.626 4.908 ( 3.045 5.273 4.915) 7.825 4.973 ( 0.509 0.882 -0.450) 1.114 5.363 ( 4.818 8.345 -3.420) 10.225 5.373 ( 4.040 6.997 -8.072) 11.421 7.273 ( -1.065 -1.845 2.970) 3.655 7.384 ( -2.179 -3.773 0.018) 4.357 7.471 ( -0.370 -0.641 -0.496) 0.891 7.554 ( 1.207 2.090 2.441) 3.433 7.690 ( -1.511 -2.618 1.434) 3.346 7.696 ( 0.400 0.692 2.223) 2.362 7.792 ( -0.442 -0.765 1.349) 1.612 8.323 ( -3.726 -6.454 -6.797) 10.087 8.694 ( 2.017 3.493 3.350) 5.243 8.879 ( -2.062 -3.571 -1.376) 4.347 9.376 ( -0.369 -0.640 3.824) 3.894 9.559 ( -2.206 -3.820 2.061) 4.869 9.715 ( 1.679 2.908 -2.575) 4.232 9.734 ( 0.492 0.853 0.037) 0.985 10.656 ( -7.131 -12.351 -1.749) 14.369 10.731 ( -7.925 -13.726 -1.224) 15.897 11.393 ( -2.127 -3.683 -0.547) 4.288 11.409 ( -2.802 -4.853 2.554) 6.158 11.691 ( -0.169 -0.292 3.002) 3.021 11.858 ( 4.158 7.202 -2.590) 8.710 12.048 ( -2.746 -4.755 0.705) 5.536 12.111 ( 3.924 6.797 3.333) 8.527 12.750 ( 0.315 0.546 -2.255) 2.342 12.867 ( -2.213 -3.834 1.126) 4.568 12.871 ( -1.003 -1.737 -4.843) 5.242 13.371 ( 1.333 2.308 0.717) 2.760 13.421 ( 1.979 3.427 2.893) 4.902 13.523 ( 6.003 10.398 -3.597) 12.534 13.548 ( 10.427 18.060 4.085) 21.250 13.908 ( 7.143 12.372 -20.680) 25.135 16.877 ( -0.115 -0.199 -0.544) 0.591 17.000 ( 0.730 1.265 -1.572) 2.146 17.447 ( -0.207 -0.359 4.554) 4.573 17.630 ( 4.975 8.617 4.553) 10.942 17.740 ( 2.224 3.853 -2.597) 5.151 17.909 ( 4.751 8.229 -1.616) 9.638 20.567 ( -6.622 -11.469 4.389) 13.952 20.568 ( -16.720 -28.960 0.321) 33.442 ======================= Grid point 172 (28/81) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 8.034 15.007 7.569) 18.629 1.409 ( 29.221 9.218 -7.747) 31.604 1.943 ( -5.994 -5.998 -15.667) 17.814 2.658 ( 3.147 7.644 11.001) 13.761 2.758 ( 2.774 5.578 5.810) 8.518 3.018 ( -2.463 4.041 12.582) 13.442 3.216 ( -9.390 -3.286 -1.960) 10.140 3.389 ( -9.006 0.781 -2.707) 9.437 3.625 ( 9.579 -5.305 -4.838) 11.971 3.683 ( -9.156 -11.841 -0.589) 14.979 3.997 ( 7.067 1.279 -4.035) 8.238 4.117 ( 2.459 4.761 2.088) 5.751 4.951 ( -2.543 7.202 4.754) 8.996 5.111 ( 11.995 0.229 2.291) 12.214 5.443 ( -1.388 9.202 -5.241) 10.680 5.585 ( 9.808 6.575 -4.114) 12.503 7.210 ( -5.251 -0.329 2.409) 5.787 7.307 ( 0.036 -6.192 -0.017) 6.192 7.476 ( -1.763 2.525 0.396) 3.105 7.554 ( -0.442 -4.411 3.051) 5.381 7.625 ( -3.469 -0.543 1.878) 3.982 7.693 ( 2.378 -3.320 0.539) 4.119 7.838 ( 1.751 4.282 -1.189) 4.777 8.188 ( -4.408 -6.107 -6.527) 9.966 8.823 ( 4.776 6.983 -0.145) 8.461 8.847 ( 1.857 1.467 -0.657) 2.456 9.338 ( -1.907 -2.723 2.659) 4.257 9.479 ( -0.215 -8.787 0.852) 8.831 9.725 ( -3.121 2.817 0.971) 4.315 9.756 ( -1.831 2.111 -1.035) 2.980 10.398 ( -8.086 -12.089 -2.158) 14.703 10.466 ( -8.964 -9.990 -0.627) 13.436 11.279 ( -6.293 -2.936 1.911) 7.202 11.332 ( -1.374 -4.703 0.231) 4.905 11.663 ( -2.441 -1.001 2.399) 3.565 11.867 ( -3.512 -4.942 -3.439) 6.971 12.074 ( 4.791 4.657 1.216) 6.791 12.238 ( 3.434 5.685 3.026) 7.298 12.714 ( -1.828 -2.171 -4.824) 5.597 12.819 ( -2.794 3.315 -3.205) 5.391 12.903 ( 5.005 -1.268 2.382) 5.686 13.374 ( -2.053 1.433 2.797) 3.754 13.477 ( 3.104 -0.308 2.680) 4.112 13.718 ( 4.781 9.062 -1.816) 10.405 13.923 ( 10.653 19.141 5.463) 22.577 14.117 ( 12.649 -2.569 -11.206) 17.093 16.895 ( 2.366 0.131 -1.453) 2.780 17.031 ( 1.385 1.017 -1.090) 2.034 17.427 ( -1.219 -1.017 6.549) 6.739 17.786 ( 2.543 9.380 3.050) 10.186 17.835 ( 4.315 4.743 -0.333) 6.420 18.064 ( 4.192 7.051 -3.882) 9.075 19.900 ( -25.576 -31.571 3.032) 40.744 20.392 ( -5.112 -5.118 -4.576) 8.560 ======================= Grid point 173 (29/81) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 8.339 10.921 6.041) 15.010 1.800 ( -7.498 0.219 -3.583) 8.313 1.974 ( 27.543 5.248 -13.209) 30.994 2.643 ( -1.150 -1.456 3.802) 4.231 2.803 ( -2.096 0.293 2.677) 3.412 3.021 ( -7.156 -1.180 4.580) 8.578 3.083 ( -6.036 5.795 -0.181) 8.369 3.263 ( -3.975 0.271 3.081) 5.037 3.421 ( -8.723 -9.501 -0.831) 12.925 3.695 ( 1.450 -0.859 -4.494) 4.799 4.148 ( 11.857 -3.370 -4.614) 13.162 4.241 ( 5.257 6.390 4.517) 9.427 4.981 ( -1.907 5.984 5.248) 8.185 5.298 ( 8.852 -2.552 -0.403) 9.222 5.546 ( 5.047 9.634 -2.140) 11.084 5.824 ( 9.344 8.829 -2.244) 13.050 7.111 ( -5.638 -0.132 2.136) 6.030 7.251 ( -1.618 -3.379 -0.896) 3.852 7.414 ( -4.486 -3.486 4.360) 7.161 7.501 ( -2.052 -0.376 -0.192) 2.095 7.592 ( -0.386 -0.159 1.969) 2.012 7.709 ( 2.962 -3.373 -2.374) 5.078 7.887 ( -0.207 2.855 -0.507) 2.908 8.075 ( -2.568 -4.603 -5.704) 7.766 8.910 ( 4.688 4.564 1.239) 6.659 9.035 ( 7.888 8.558 -1.365) 11.719 9.267 ( -1.584 -5.713 1.675) 6.160 9.378 ( -0.496 -10.640 -0.067) 10.651 9.617 ( -11.754 1.198 1.294) 11.886 9.712 ( -7.659 4.082 -0.606) 8.700 10.197 ( -2.293 -9.463 -1.689) 9.882 10.267 ( -4.665 -6.133 0.080) 7.706 11.147 ( -6.187 -2.043 2.103) 6.846 11.271 ( -1.346 -2.979 -0.075) 3.270 11.592 ( -4.403 -1.203 1.794) 4.905 11.741 ( -4.327 -6.224 -2.465) 7.971 12.189 ( 2.260 5.124 1.805) 5.884 12.331 ( 3.462 1.395 0.998) 3.863 12.685 ( -0.413 0.225 -4.715) 4.738 12.830 ( -0.818 5.327 -4.743) 7.179 12.987 ( 5.861 -0.824 3.643) 6.950 13.338 ( -2.449 -0.639 3.067) 3.977 13.538 ( 6.908 -3.693 3.505) 8.582 13.852 ( 2.081 6.516 -0.009) 6.840 14.163 ( 8.230 -4.016 -6.878) 11.453 14.368 ( 9.809 15.921 5.319) 19.442 16.955 ( 3.785 0.841 -2.003) 4.365 17.056 ( 1.452 -1.034 -0.241) 1.799 17.402 ( -1.358 1.092 6.169) 6.410 17.904 ( 2.329 7.074 1.092) 7.527 17.959 ( 2.735 7.062 0.754) 7.611 18.152 ( -0.742 1.808 -11.775) 11.936 19.178 ( -22.759 -27.437 12.115) 37.650 20.279 ( -3.797 -3.178 -8.727) 10.034 ======================= Grid point 174 (30/81) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -2.863 3.732 7.532) 8.880 1.736 ( 0.236 10.645 9.326) 14.155 2.400 ( 19.111 -0.495 -13.220) 23.243 2.600 ( -4.997 1.092 0.296) 5.124 2.753 ( -0.881 -4.064 2.634) 4.922 2.903 ( -4.367 -0.963 2.267) 5.013 2.990 ( -7.971 3.913 -3.626) 9.591 3.233 ( -4.088 -5.152 -1.849) 6.832 3.259 ( 0.584 1.815 1.671) 2.535 3.670 ( -3.212 0.047 -6.015) 6.819 4.308 ( 11.253 -4.904 -2.447) 12.517 4.383 ( 5.134 3.160 5.399) 8.093 4.992 ( -1.986 3.008 4.932) 6.109 5.343 ( 1.463 -2.934 -2.588) 4.177 5.794 ( 12.318 6.470 0.536) 13.924 6.045 ( 6.793 6.673 -0.661) 9.545 7.031 ( -4.773 2.220 2.663) 5.899 7.188 ( -3.234 -0.696 -2.067) 3.901 7.314 ( -3.010 -2.672 3.589) 5.393 7.464 ( -2.033 -0.117 -0.415) 2.079 7.597 ( 0.462 0.804 1.892) 2.107 7.720 ( 1.944 -3.029 -3.154) 4.785 7.900 ( -0.020 1.126 -0.533) 1.246 8.007 ( -1.340 -3.233 -4.049) 5.352 9.058 ( 6.206 3.949 1.979) 7.617 9.171 ( -2.658 -6.402 1.051) 7.011 9.235 ( 5.826 6.819 -1.348) 9.070 9.258 ( -2.535 -7.782 -0.950) 8.240 9.415 ( -11.871 2.547 0.975) 12.180 9.590 ( -9.684 3.591 -0.218) 10.330 10.126 ( 2.404 -7.511 -0.684) 7.916 10.189 ( -0.040 -2.811 1.280) 3.089 11.041 ( -4.314 -1.149 1.717) 4.783 11.231 ( -1.957 0.501 0.313) 2.045 11.506 ( -3.673 -1.457 1.388) 4.188 11.611 ( -3.679 -6.312 -1.457) 7.450 12.242 ( -2.054 5.683 3.551) 7.009 12.383 ( 3.847 -3.092 -1.529) 5.167 12.694 ( -0.384 2.238 -6.503) 6.888 12.888 ( 0.841 5.599 -6.364) 8.517 13.077 ( 5.720 -0.965 4.069) 7.086 13.286 ( -1.372 -3.229 5.086) 6.178 13.641 ( 9.636 -4.044 3.313) 10.963 13.913 ( -0.044 2.353 1.472) 2.776 14.201 ( 4.979 -9.080 -6.650) 12.307 14.670 ( 4.492 19.432 5.684) 20.738 17.015 ( 2.589 -0.528 -3.559) 4.433 17.079 ( 3.173 -0.958 0.692) 3.386 17.406 ( -0.538 2.784 4.592) 5.397 17.937 ( -11.610 -4.985 -9.774) 15.973 18.037 ( -2.038 3.213 -3.368) 5.081 18.055 ( -0.095 4.045 -4.908) 6.361 18.745 ( -4.040 -12.420 21.861) 25.465 20.199 ( -2.455 -2.424 -9.839) 10.426 ======================= Grid point 175 (31/81) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -9.706 10.762 19.945) 24.655 1.897 ( 4.844 4.530 6.148) 9.043 2.488 ( -7.821 2.809 1.727) 8.488 2.592 ( 6.956 -4.452 -9.160) 12.333 2.722 ( 2.114 -4.275 1.482) 4.995 2.871 ( 0.318 0.914 -1.267) 1.594 2.913 ( -5.354 2.967 -3.820) 7.216 3.172 ( 0.042 -1.832 -3.557) 4.001 3.309 ( 1.085 3.304 -1.012) 3.622 3.613 ( -2.650 0.039 -7.851) 8.286 4.412 ( 6.738 -5.830 -0.146) 8.911 4.462 ( 3.075 -1.282 4.348) 5.478 4.981 ( -1.153 0.913 4.717) 4.941 5.331 ( 0.857 -2.648 -2.449) 3.708 6.011 ( 7.686 0.607 0.385) 7.720 6.155 ( 1.813 1.034 0.505) 2.148 6.996 ( -3.775 5.022 3.148) 7.027 7.141 ( -2.516 1.643 -2.634) 3.997 7.270 ( -0.619 -0.541 2.516) 2.647 7.439 ( -1.290 1.022 -0.575) 1.743 7.616 ( 0.081 1.362 1.776) 2.240 7.718 ( 1.236 -2.514 -2.780) 3.947 7.916 ( 1.172 0.106 -1.784) 2.137 7.960 ( -0.901 -2.422 -2.159) 3.368 9.056 ( -2.447 -2.563 0.332) 3.559 9.109 ( -1.532 -3.914 -1.204) 4.372 9.223 ( 1.354 2.849 1.411) 3.456 9.308 ( -3.262 3.109 0.908) 4.597 9.356 ( 0.687 3.742 -0.783) 3.885 9.497 ( -5.071 3.738 0.473) 6.318 10.108 ( 3.521 -6.894 0.184) 7.743 10.182 ( 1.198 -1.882 1.968) 2.975 10.984 ( -1.461 -0.387 1.113) 1.877 11.213 ( -3.648 5.340 1.171) 6.572 11.459 ( 0.055 -1.427 0.975) 1.729 11.509 ( -0.797 -5.840 -0.827) 5.952 12.246 ( -3.920 6.476 4.498) 8.805 12.406 ( 4.230 -6.132 -3.131) 8.081 12.707 ( -1.711 3.724 -7.915) 8.913 12.943 ( -0.148 3.532 -8.447) 9.156 13.156 ( 4.826 -1.674 4.804) 7.012 13.232 ( -0.445 -4.538 6.552) 7.983 13.773 ( 9.383 -2.973 2.643) 10.191 13.890 ( -2.096 -3.373 3.464) 5.270 14.185 ( 3.433 -7.471 -5.643) 9.972 14.865 ( -3.131 16.559 3.678) 17.249 17.054 ( 3.821 -2.249 -5.221) 6.850 17.122 ( 1.295 0.397 0.257) 1.379 17.429 ( 1.005 0.967 1.054) 1.748 17.598 ( -11.069 -7.598 -6.166) 14.774 18.078 ( -1.775 6.559 0.305) 6.802 18.093 ( -1.197 3.591 -2.797) 4.706 18.678 ( 2.928 -5.930 18.004) 19.180 20.153 ( -0.537 -1.568 -9.870) 10.009 ======================= Grid point 184 (32/81) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 7.677 13.297 -5.810) 16.416 1.621 ( 10.666 18.473 -7.887) 22.743 1.889 ( 0.358 0.619 -5.058) 5.108 2.636 ( -1.321 -2.288 5.232) 5.861 2.822 ( -0.967 -1.675 4.010) 4.452 3.094 ( -4.128 -7.149 3.567) 8.993 3.132 ( 2.573 4.457 11.771) 12.847 3.373 ( -3.915 -6.780 -0.137) 7.830 3.463 ( -5.711 -9.891 -6.962) 13.376 3.624 ( 3.429 5.939 -5.097) 8.545 4.015 ( 0.642 1.112 -5.140) 5.298 4.223 ( 3.459 5.991 5.991) 9.151 5.113 ( 3.373 5.842 3.351) 7.532 5.114 ( 1.545 2.677 2.173) 3.778 5.570 ( 2.873 4.977 -4.950) 7.585 5.780 ( 7.174 12.425 -1.196) 14.397 7.188 ( -2.299 -3.982 -0.057) 4.598 7.217 ( -0.432 -0.749 2.744) 2.877 7.440 ( -3.399 -5.887 4.640) 8.230 7.527 ( 0.742 1.286 -2.206) 2.659 7.616 ( -1.328 -2.300 0.038) 2.656 7.634 ( -0.255 -0.441 -0.292) 0.587 7.906 ( 1.249 2.163 -0.286) 2.514 8.070 ( -3.186 -5.519 -5.751) 8.584 8.894 ( 2.772 4.802 1.044) 5.642 9.010 ( 6.066 10.506 -1.361) 12.207 9.260 ( -2.728 -4.725 1.036) 5.554 9.317 ( -4.350 -7.534 0.601) 8.720 9.744 ( -0.358 -0.620 1.724) 1.866 9.797 ( 0.240 0.415 -0.236) 0.535 10.158 ( -6.739 -11.672 -2.509) 13.709 10.276 ( -5.187 -8.985 0.326) 10.380 11.226 ( -2.116 -3.664 3.017) 5.197 11.230 ( -2.423 -4.197 -1.185) 4.989 11.639 ( -0.992 -1.717 1.871) 2.726 11.746 ( -4.021 -6.965 -2.721) 8.490 12.195 ( 4.046 7.007 0.624) 8.115 12.305 ( 0.722 1.251 2.382) 2.786 12.691 ( -0.042 -0.073 -3.121) 3.122 12.876 ( 1.234 2.138 -2.990) 3.877 12.921 ( 1.955 3.386 0.879) 4.007 13.341 ( -1.883 -3.261 6.573) 7.576 13.483 ( -0.080 -0.138 0.357) 0.391 13.837 ( 2.353 4.075 -4.129) 6.260 14.078 ( 0.551 0.955 -9.207) 9.273 14.362 ( 12.354 21.398 10.515) 26.853 16.925 ( 1.646 2.851 -2.329) 4.032 17.037 ( -0.382 -0.662 0.203) 0.791 17.416 ( 0.062 0.107 5.505) 5.506 17.932 ( 3.765 6.522 0.614) 7.556 17.967 ( 4.463 7.730 1.400) 9.035 18.166 ( 1.422 2.464 -9.602) 10.014 19.241 ( -19.680 -34.086 9.142) 40.407 20.294 ( -2.843 -4.924 -7.436) 9.361 ======================= Grid point 185 (33/81) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.788 10.866 -4.148) 11.658 1.910 ( -1.288 11.510 3.277) 12.036 2.074 ( 19.212 4.856 -8.559) 21.586 2.619 ( 1.226 -1.059 3.250) 3.632 2.761 ( -3.188 -2.771 1.520) 4.489 2.958 ( -4.782 -4.626 5.882) 8.881 3.136 ( -4.517 0.539 2.564) 5.222 3.237 ( -3.003 -6.005 1.679) 6.921 3.315 ( -4.826 0.639 -8.415) 9.722 3.717 ( -0.094 3.270 -3.254) 4.614 4.069 ( 8.368 -4.493 -5.423) 10.937 4.326 ( 3.525 1.991 8.261) 9.200 5.084 ( -4.787 3.081 2.275) 6.131 5.248 ( 5.800 -2.309 -0.100) 6.244 5.703 ( 6.456 7.269 -1.211) 9.797 6.008 ( 6.303 8.812 -0.260) 10.837 7.121 ( -3.096 1.034 1.219) 3.484 7.219 ( -0.091 0.617 0.429) 0.757 7.330 ( -3.005 -4.343 3.955) 6.598 7.516 ( -3.300 1.381 -2.822) 4.556 7.593 ( 1.004 -0.292 0.463) 1.143 7.646 ( 2.397 -2.534 -1.253) 3.707 7.917 ( -0.890 0.173 0.286) 0.951 7.988 ( -1.098 -4.002 -4.477) 6.104 9.010 ( 4.097 4.417 1.918) 6.322 9.169 ( -3.192 -3.706 0.615) 4.930 9.208 ( 0.104 -4.983 -0.059) 4.985 9.216 ( 5.977 9.427 -1.542) 11.268 9.646 ( -11.485 0.909 1.173) 11.581 9.760 ( -5.372 0.320 0.717) 5.429 9.994 ( 0.890 -10.682 -1.893) 10.885 10.145 ( -0.883 -6.239 1.316) 6.437 11.118 ( -5.655 -0.752 0.564) 5.732 11.208 ( 2.237 -3.363 0.829) 4.123 11.585 ( -4.527 -0.293 0.574) 4.572 11.612 ( -3.624 -6.206 -0.938) 7.247 12.300 ( 0.739 -3.270 -0.386) 3.375 12.323 ( 1.670 7.738 1.892) 8.139 12.712 ( 1.076 2.272 -2.433) 3.499 12.925 ( 0.965 3.967 -3.611) 5.451 12.998 ( 3.630 1.822 0.181) 4.065 13.256 ( -1.879 -7.300 4.877) 8.979 13.499 ( 3.354 -0.732 2.379) 4.177 13.883 ( 1.995 -2.510 -2.706) 4.196 14.101 ( 1.451 -0.204 -6.431) 6.596 14.749 ( 9.093 19.876 9.305) 23.755 16.987 ( 0.903 1.340 -2.335) 2.839 17.017 ( 1.951 -1.731 0.530) 2.662 17.431 ( 0.341 1.749 4.243) 4.602 18.053 ( -1.670 5.290 -1.855) 5.849 18.089 ( -6.277 -7.454 -17.444) 19.982 18.098 ( 2.900 6.676 -0.324) 7.286 18.706 ( -9.001 -17.766 20.567) 28.629 20.203 ( -2.449 -4.557 -7.959) 9.493 ======================= Grid point 186 (34/81) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -3.220 9.182 5.651) 11.252 1.983 ( -3.816 13.264 7.399) 15.661 2.365 ( 12.927 -3.261 -11.576) 17.656 2.645 ( 2.430 -0.973 2.198) 3.418 2.662 ( -6.469 0.262 0.951) 6.544 2.863 ( -1.403 -2.861 4.865) 5.816 3.060 ( -6.302 3.425 -2.469) 7.586 3.145 ( -0.683 -4.374 -3.112) 5.411 3.335 ( 1.305 6.408 -3.361) 7.353 3.686 ( -5.230 1.574 -4.951) 7.372 4.186 ( 11.114 -7.780 -2.813) 13.855 4.375 ( 3.270 -3.566 7.461) 8.892 5.026 ( -3.380 0.207 2.335) 4.113 5.271 ( 1.835 -4.226 -1.122) 4.742 5.894 ( 7.950 4.062 0.537) 8.943 6.134 ( 2.150 1.999 0.672) 3.012 7.104 ( -2.599 4.682 2.321) 5.836 7.217 ( -2.632 3.487 -2.715) 5.144 7.271 ( -0.594 -1.462 3.027) 3.414 7.483 ( -2.094 1.850 -2.214) 3.565 7.622 ( 1.284 1.548 1.102) 2.293 7.658 ( 2.157 -2.984 -1.656) 4.037 7.902 ( 0.047 -0.931 -0.024) 0.933 7.941 ( -0.568 -3.182 -2.909) 4.349 9.057 ( 0.221 -0.771 0.668) 1.044 9.097 ( -1.184 -2.855 -0.602) 3.148 9.243 ( 1.656 5.108 1.412) 5.552 9.371 ( 2.434 6.304 -0.777) 6.802 9.451 ( -10.069 1.004 0.288) 10.123 9.645 ( -7.749 1.802 1.198) 8.045 9.950 ( 4.613 -9.836 -0.589) 10.880 10.113 ( 2.637 -5.043 2.083) 6.060 11.033 ( -4.093 0.583 0.468) 4.161 11.243 ( 3.839 0.011 0.785) 3.918 11.478 ( -3.013 -7.052 -0.772) 7.707 11.521 ( -5.854 3.180 1.034) 6.742 12.276 ( 2.512 -6.532 -3.191) 7.691 12.396 ( -3.301 9.992 3.556) 11.108 12.763 ( 0.843 4.039 -4.110) 5.823 12.969 ( 0.210 2.267 -5.273) 5.744 13.070 ( 3.634 -0.023 -0.292) 3.645 13.160 ( 0.794 -9.234 7.417) 11.871 13.585 ( 7.992 -1.839 2.257) 8.506 13.848 ( -0.228 -7.666 -0.875) 7.719 14.119 ( 0.704 0.175 -4.515) 4.573 15.034 ( 2.827 17.028 6.260) 18.361 16.977 ( 1.754 -2.829 -2.121) 3.947 17.076 ( 3.044 -0.206 0.275) 3.063 17.448 ( -0.662 1.407 2.215) 2.706 17.704 ( -13.397 -13.774 -10.467) 21.880 18.141 ( -0.854 5.938 -2.982) 6.699 18.201 ( -0.216 8.864 0.954) 8.918 18.573 ( 2.021 -6.080 14.931) 16.248 20.130 ( -0.724 -4.389 -7.438) 8.667 ======================= Grid point 187 (35/81) ======================= q-point: ( 0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -6.169 10.685 11.837) 17.098 2.023 ( -5.145 8.912 5.678) 11.753 2.450 ( 5.590 -9.682 -12.914) 17.081 2.599 ( -3.893 6.743 3.224) 8.427 2.662 ( 0.845 -1.464 2.832) 3.298 2.850 ( 1.533 -2.655 3.099) 4.360 3.010 ( -3.824 6.623 -5.364) 9.342 3.126 ( 1.683 -2.915 -2.631) 4.272 3.403 ( -3.491 6.046 -1.880) 7.230 3.629 ( -1.157 2.005 -7.368) 7.723 4.250 ( 6.283 -10.882 -0.986) 12.604 4.380 ( 3.520 -6.096 6.198) 9.379 4.995 ( -0.410 0.710 2.302) 2.443 5.261 ( 2.382 -4.125 -0.783) 4.827 5.995 ( 0.938 -1.625 0.529) 1.950 6.147 ( 0.770 -1.334 1.340) 2.042 7.108 ( -3.230 5.595 2.681) 6.994 7.208 ( -2.710 4.694 -3.699) 6.562 7.264 ( 0.111 -0.192 2.182) 2.193 7.477 ( -1.366 2.366 -2.214) 3.516 7.646 ( -0.862 1.493 1.762) 2.465 7.661 ( 1.728 -2.993 -1.467) 3.754 7.906 ( 1.578 -2.733 0.692) 3.231 7.910 ( 0.413 -0.715 -3.462) 3.559 9.056 ( -1.149 1.990 0.531) 2.359 9.070 ( 0.112 -0.195 -1.347) 1.365 9.271 ( -1.518 2.629 0.699) 3.115 9.382 ( -2.320 4.019 0.803) 4.710 9.421 ( -1.603 2.777 0.062) 3.208 9.583 ( -2.663 4.612 1.272) 5.475 9.942 ( 5.417 -9.383 -0.074) 10.835 10.113 ( 2.925 -5.066 2.308) 6.289 11.000 ( -1.288 2.231 0.454) 2.616 11.308 ( -0.880 1.524 0.993) 2.021 11.385 ( 3.396 -5.882 0.046) 6.792 11.485 ( -3.092 5.356 0.272) 6.191 12.265 ( 4.042 -7.001 -4.332) 9.172 12.414 ( -6.060 10.496 4.174) 12.818 12.795 ( -2.428 4.205 -6.351) 7.995 12.977 ( 0.185 -0.321 -4.884) 4.898 13.108 ( 4.192 -7.261 7.326) 11.134 13.117 ( 1.534 -2.657 1.218) 3.301 13.690 ( 3.741 -6.480 1.516) 7.635 13.763 ( 3.599 -6.234 0.361) 7.207 14.127 ( -0.134 0.232 -3.683) 3.693 15.146 ( -6.776 11.736 4.464) 14.267 16.992 ( 2.074 -3.592 -4.528) 6.141 17.094 ( 2.097 -3.633 2.699) 4.988 17.424 ( -0.345 0.597 -4.442) 4.495 17.528 ( 0.521 -0.902 0.165) 1.054 18.161 ( -2.540 4.400 -3.805) 6.347 18.244 ( -4.794 8.304 1.261) 9.671 18.567 ( 3.134 -5.429 11.637) 13.218 20.101 ( 1.934 -3.349 -7.088) 8.075 ======================= Grid point 194 (36/81) ======================= q-point: (-0.08 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -17.329 30.015 -6.188) 35.206 1.420 ( -11.482 19.887 25.912) 34.623 1.792 ( -12.932 22.399 28.576) 38.543 2.296 ( 2.491 -4.315 -20.389) 20.989 2.492 ( 5.085 -8.807 -14.411) 17.638 3.027 ( 5.371 -9.302 13.827) 17.509 3.230 ( 5.351 -9.268 -1.828) 10.857 3.586 ( 3.555 -6.157 -1.306) 7.229 3.772 ( -0.887 1.536 1.332) 2.218 3.891 ( -5.708 9.886 -6.102) 12.944 3.948 ( -0.106 0.183 3.721) 3.727 4.006 ( 3.104 -5.376 -0.785) 6.257 4.850 ( -1.752 3.034 3.884) 5.230 5.001 ( -0.582 1.009 1.081) 1.589 5.321 ( -4.284 7.421 -5.185) 10.015 5.389 ( -4.590 7.950 -6.475) 11.234 7.227 ( 2.088 -3.616 1.340) 4.385 7.380 ( 1.729 -2.994 1.433) 3.743 7.550 ( -0.686 1.188 0.130) 1.378 7.552 ( -1.488 2.578 1.846) 3.502 7.655 ( 0.395 -0.684 0.587) 0.984 7.734 ( 1.203 -2.084 2.596) 3.540 7.810 ( 0.256 -0.443 2.130) 2.191 8.327 ( 3.576 -6.194 -7.138) 10.105 8.680 ( -1.847 3.198 3.368) 4.998 8.879 ( 2.153 -3.728 -1.307) 4.499 9.366 ( 0.177 -0.307 3.691) 3.708 9.533 ( 1.392 -2.411 0.693) 2.869 9.729 ( 0.137 -0.238 -0.445) 0.523 9.782 ( -1.026 1.778 -0.349) 2.082 10.679 ( 6.143 -10.639 -1.420) 12.367 10.721 ( 8.295 -14.368 -1.677) 16.675 11.376 ( 3.573 -6.188 1.209) 7.247 11.432 ( 1.510 -2.615 0.986) 3.177 11.683 ( -0.647 1.120 2.495) 2.811 11.889 ( -4.126 7.147 -1.519) 8.391 12.029 ( -2.053 3.555 1.205) 4.278 12.072 ( 1.108 -1.919 1.887) 2.910 12.779 ( 4.216 -7.303 -8.215) 11.773 12.780 ( 0.364 -0.630 -0.231) 0.764 12.972 ( -1.228 2.127 5.302) 5.843 13.107 ( -0.776 1.344 -3.892) 4.190 13.381 ( -3.752 6.498 -0.760) 7.542 13.495 ( -5.564 9.637 0.764) 11.154 13.625 ( -6.533 11.316 0.830) 13.092 14.270 ( -12.594 21.814 -17.181) 30.490 16.935 ( -1.688 2.924 0.958) 3.509 16.992 ( -0.413 0.715 -2.228) 2.377 17.455 ( 1.728 -2.993 9.651) 10.251 17.511 ( -3.994 6.917 0.559) 8.007 17.778 ( -1.833 3.176 0.299) 3.679 17.812 ( -3.731 6.462 -5.360) 9.187 20.538 ( 7.411 -12.837 3.476) 15.225 20.590 ( 15.722 -27.232 1.219) 31.468 ======================= Grid point 198 (37/81) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 3.541 6.133 -2.260) 7.434 2.141 ( 4.101 7.104 6.385) 10.395 2.177 ( 4.322 7.486 -10.272) 13.425 2.581 ( -1.402 -2.428 5.588) 6.252 2.744 ( 0.593 1.027 -1.234) 1.711 2.863 ( -2.557 -4.428 7.415) 9.007 3.123 ( -2.822 -4.888 -2.577) 6.205 3.136 ( -0.242 -0.419 -1.459) 1.537 3.368 ( 2.966 5.138 -6.600) 8.875 3.788 ( 1.156 2.002 -0.078) 2.313 3.988 ( -1.589 -2.753 -6.700) 7.416 4.323 ( -1.136 -1.967 8.959) 9.242 5.070 ( -1.942 -3.364 0.520) 3.919 5.220 ( -0.690 -1.195 0.146) 1.387 5.844 ( 4.133 7.159 0.633) 8.291 6.125 ( 1.582 2.741 0.685) 3.238 7.153 ( 1.253 2.171 1.212) 2.784 7.262 ( 1.424 2.467 1.036) 3.031 7.267 ( -0.812 -1.406 0.599) 1.731 7.529 ( -0.886 -1.535 -6.891) 7.115 7.586 ( 1.017 1.761 1.608) 2.592 7.635 ( 0.470 0.814 1.530) 1.796 7.897 ( -1.149 -1.991 1.687) 2.851 7.929 ( -1.173 -2.031 -4.113) 4.734 9.049 ( 0.678 1.175 0.804) 1.577 9.094 ( -1.382 -2.394 -0.523) 2.814 9.254 ( 3.567 6.177 1.630) 7.317 9.381 ( 3.895 6.746 -0.979) 7.851 9.619 ( -3.323 -5.755 1.259) 6.764 9.680 ( -3.894 -6.745 0.419) 7.799 9.856 ( -1.607 -2.783 -0.430) 3.242 10.041 ( -2.225 -3.853 1.756) 4.783 11.105 ( -0.975 -1.689 -0.223) 1.963 11.168 ( 0.413 0.715 1.052) 1.338 11.470 ( -4.038 -6.994 -1.134) 8.155 11.607 ( 0.477 0.827 1.034) 1.407 12.220 ( -2.261 -3.917 -2.768) 5.303 12.489 ( 4.817 8.343 2.970) 10.081 12.767 ( 1.894 3.280 0.266) 3.797 12.984 ( 1.207 2.091 -3.927) 4.610 13.034 ( 0.795 1.378 -1.929) 2.500 13.088 ( -5.125 -8.877 3.921) 10.975 13.508 ( 1.021 1.768 2.206) 3.006 13.804 ( -2.954 -5.117 -3.169) 6.704 14.121 ( 0.815 1.412 -2.596) 3.065 15.094 ( 8.634 14.955 6.869) 18.584 16.949 ( -1.372 -2.376 0.670) 2.824 17.045 ( 0.832 1.441 -1.674) 2.360 17.461 ( 0.682 1.181 2.772) 3.089 17.755 ( -10.679 -18.496 -12.231) 24.612 18.195 ( 2.329 4.035 -1.550) 4.910 18.238 ( 4.718 8.171 0.524) 9.450 18.520 ( -2.237 -3.874 13.200) 13.937 20.112 ( -2.575 -4.460 -6.368) 8.190 ======================= Grid point 199 (38/81) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -2.159 8.823 -2.047) 9.311 2.219 ( -3.208 10.253 7.889) 13.329 2.262 ( 4.208 -6.497 -10.628) 13.148 2.560 ( 3.111 -5.287 8.067) 10.135 2.773 ( -2.991 7.144 -0.545) 7.764 2.810 ( 0.087 -1.672 5.950) 6.181 3.051 ( 0.335 -5.235 -3.131) 6.109 3.132 ( -1.859 3.260 -5.707) 6.830 3.507 ( 2.680 11.027 -3.830) 11.977 3.728 ( -8.878 2.461 -3.633) 9.904 4.003 ( 9.075 -10.920 -3.533) 14.632 4.273 ( 0.807 -5.782 8.142) 10.019 5.011 ( -1.485 -1.135 0.215) 1.881 5.192 ( 0.645 -3.522 0.915) 3.695 5.967 ( 3.287 3.886 1.263) 5.244 6.123 ( -0.684 -2.703 1.434) 3.135 7.190 ( -0.759 3.648 1.706) 4.098 7.254 ( 0.301 -0.405 1.600) 1.678 7.304 ( -1.600 4.900 -3.746) 6.372 7.491 ( -0.005 -2.638 -6.120) 6.664 7.635 ( 0.500 2.298 2.058) 3.126 7.662 ( 1.063 1.774 1.769) 2.722 7.858 ( 0.049 -3.089 2.392) 3.908 7.901 ( -0.312 -1.157 -4.082) 4.254 9.080 ( -0.199 0.906 -1.437) 1.710 9.096 ( 1.077 4.370 1.053) 4.622 9.342 ( -1.908 4.179 1.179) 4.742 9.458 ( 0.031 1.989 0.198) 1.999 9.463 ( -5.253 0.931 0.592) 5.368 9.601 ( 1.672 -7.788 0.966) 8.024 9.828 ( -0.524 -0.209 0.451) 0.722 10.001 ( 2.731 -6.165 1.940) 7.016 11.067 ( -3.086 2.781 0.467) 4.180 11.230 ( 6.033 -0.831 0.235) 6.094 11.340 ( -3.317 -6.705 -0.434) 7.494 11.617 ( -2.886 5.407 0.446) 6.146 12.165 ( 0.732 -4.269 -4.440) 6.202 12.617 ( -2.384 12.088 4.007) 12.956 12.828 ( 1.420 1.995 1.288) 2.767 12.953 ( -0.117 -7.498 2.616) 7.942 12.994 ( -0.071 -1.565 -1.199) 1.973 13.054 ( 2.564 -2.890 -4.254) 5.747 13.567 ( 4.511 0.120 0.904) 4.602 13.696 ( -2.230 -6.938 -2.437) 7.685 14.143 ( -0.028 1.378 -0.495) 1.464 15.303 ( 1.005 10.054 3.291) 10.626 16.932 ( 1.583 -1.366 -0.272) 2.108 17.029 ( -0.439 -4.741 1.060) 4.877 17.462 ( -2.499 0.127 -1.291) 2.816 17.513 ( -1.721 -4.957 -2.148) 5.670 18.243 ( -1.253 4.305 -1.209) 4.644 18.364 ( 0.597 6.889 0.207) 6.918 18.480 ( 0.965 -3.752 5.605) 6.813 20.045 ( -0.079 -3.797 -5.031) 6.303 ======================= Grid point 205 (39/81) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 2.330 28.030 18.016) 33.402 1.798 ( -15.501 24.243 -7.108) 29.640 2.116 ( 11.802 1.738 -13.381) 17.926 2.289 ( -20.640 2.736 13.582) 24.859 2.430 ( -10.290 -12.260 -11.860) 19.921 2.909 ( 2.097 -1.308 9.685) 9.995 3.034 ( 5.999 -10.258 1.403) 11.966 3.437 ( 7.300 -3.896 -0.721) 8.306 3.757 ( 8.477 -6.811 -3.158) 11.323 3.768 ( 2.703 -1.774 -0.687) 3.305 3.968 ( -3.951 -2.689 0.914) 4.866 4.182 ( -7.072 10.759 -0.511) 12.886 4.914 ( 0.366 6.495 4.124) 7.702 5.100 ( -10.619 0.006 2.459) 10.900 5.445 ( -0.464 10.994 -4.197) 11.777 5.567 ( -9.070 4.389 -5.186) 11.333 7.155 ( 2.849 -2.795 0.686) 4.050 7.310 ( 1.755 -4.719 0.827) 5.103 7.510 ( 4.195 -1.669 1.915) 4.904 7.587 ( 1.046 1.155 2.606) 3.036 7.655 ( 1.466 0.514 3.458) 3.791 7.708 ( -3.032 -1.553 -0.006) 3.407 7.816 ( 0.121 1.441 -1.708) 2.238 8.193 ( 4.611 -6.057 -6.773) 10.189 8.814 ( -6.070 7.549 -0.228) 9.689 8.843 ( -1.110 0.731 -0.729) 1.515 9.347 ( 1.198 -1.545 3.227) 3.773 9.476 ( -0.221 -7.823 0.233) 7.830 9.694 ( 3.543 -0.135 -0.197) 3.551 9.778 ( 3.669 1.428 0.129) 3.939 10.441 ( 9.204 -11.416 -1.714) 14.764 10.458 ( 7.820 -8.695 -0.768) 11.720 11.250 ( 4.940 -4.429 1.645) 6.836 11.363 ( 3.186 -3.005 0.649) 4.427 11.675 ( 2.099 -0.368 2.837) 3.548 11.903 ( 2.963 -2.171 -3.021) 4.756 12.121 ( -2.871 4.145 2.114) 5.468 12.139 ( -5.764 4.000 1.444) 7.163 12.670 ( 0.846 -5.264 -7.397) 9.119 12.714 ( 2.313 -4.071 -2.149) 5.152 13.053 ( -2.207 6.207 7.992) 10.357 13.175 ( -5.090 0.018 -3.467) 6.159 13.506 ( -5.323 3.106 1.836) 6.431 13.719 ( -7.231 11.633 -1.390) 13.767 13.820 ( -6.699 6.720 -0.043) 9.488 14.529 ( -1.525 10.456 -2.064) 10.766 16.990 ( -0.338 3.797 0.413) 3.835 17.022 ( -2.522 0.962 -1.491) 3.083 17.381 ( 2.125 -4.124 9.084) 10.200 17.690 ( -7.498 8.194 -0.193) 11.108 17.838 ( -1.418 4.118 0.098) 4.356 17.962 ( -6.931 3.142 -6.546) 10.038 19.969 ( 24.747 -26.667 5.462) 36.788 20.338 ( 4.891 -7.972 -6.688) 11.498 ======================= Grid point 211 (40/81) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -4.214 -7.299 -9.161) 12.448 2.100 ( 4.214 7.299 -9.161) 12.448 2.420 ( -4.508 -7.807 10.339) 13.717 2.420 ( 4.508 7.807 10.339) 13.717 2.786 ( -0.000 -0.000 6.489) 6.489 2.929 ( -3.672 -6.361 -1.701) 7.539 2.929 ( 3.672 6.361 -1.701) 7.539 3.168 ( -0.000 -0.000 -7.857) 7.857 3.727 ( -3.944 -6.832 -1.199) 7.979 3.727 ( 3.944 6.832 -1.199) 7.979 3.818 ( -0.000 -0.000 -8.766) 8.766 4.204 ( -0.000 -0.000 8.805) 8.805 4.999 ( -0.000 -0.000 -0.576) 0.576 5.154 ( -0.000 -0.000 2.056) 2.056 6.049 ( -2.184 -3.783 1.642) 4.666 6.049 ( 2.184 3.783 1.642) 4.666 7.238 ( -0.723 -1.252 1.426) 2.031 7.238 ( 0.723 1.252 1.426) 2.031 7.405 ( -2.611 -4.523 -5.474) 7.566 7.405 ( 2.611 4.523 -5.474) 7.566 7.681 ( -0.206 -0.357 1.918) 1.962 7.681 ( 0.206 0.357 1.918) 1.962 7.817 ( -0.000 -0.000 3.645) 3.645 7.889 ( -0.000 -0.000 -4.470) 4.470 9.096 ( -0.000 -0.000 -1.925) 1.925 9.169 ( -0.000 -0.000 2.274) 2.274 9.420 ( -2.666 -4.618 0.006) 5.332 9.420 ( 2.666 4.618 0.006) 5.332 9.485 ( -0.718 -1.244 1.093) 1.805 9.485 ( 0.718 1.244 1.093) 1.805 9.889 ( -2.491 -4.314 1.431) 5.183 9.889 ( 2.491 4.314 1.431) 5.183 11.110 ( -0.000 -0.000 1.134) 1.134 11.239 ( -1.403 -2.429 -0.437) 2.839 11.239 ( 1.403 2.429 -0.437) 2.839 11.679 ( -0.000 -0.000 -0.058) 0.058 12.123 ( -0.000 -0.000 -4.791) 4.791 12.824 ( -0.966 -1.674 7.028) 7.289 12.824 ( 0.966 1.674 7.028) 7.289 12.827 ( 0.000 0.000 3.396) 3.396 12.992 ( -0.732 -1.267 -6.977) 7.129 12.992 ( 0.732 1.267 -6.977) 7.129 13.597 ( -1.579 -2.734 -1.369) 3.441 13.597 ( 1.579 2.734 -1.369) 3.441 14.158 ( -0.000 -0.000 0.869) 0.869 15.405 ( -0.000 -0.000 1.139) 1.139 16.942 ( -1.408 -2.438 1.499) 3.189 16.942 ( 1.408 2.438 1.499) 3.189 17.469 ( -0.458 -0.794 -1.017) 1.369 17.469 ( 0.458 0.794 -1.017) 1.369 18.292 ( -0.000 -0.000 2.109) 2.109 18.436 ( -0.152 -0.264 -0.393) 0.498 18.436 ( 0.152 0.264 -0.393) 0.498 20.004 ( -0.000 -0.000 -3.930) 3.930 ======================= Grid point 218 (41/81) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 9.818 10.722 7.352) 16.291 1.846 ( 9.928 11.121 5.146) 15.771 2.335 ( -15.264 16.687 -13.030) 26.100 2.475 ( -11.876 -8.242 -5.741) 15.554 2.561 ( -5.540 -2.883 -0.227) 6.249 2.853 ( 1.961 -7.453 2.670) 8.156 2.942 ( -1.785 1.611 7.463) 7.840 3.297 ( 5.868 -0.277 2.778) 6.498 3.517 ( 10.817 -5.594 -0.689) 12.197 3.705 ( 3.066 -2.835 -6.197) 7.473 4.051 ( -9.420 -3.107 -1.370) 10.014 4.364 ( -5.291 5.571 3.096) 8.283 4.959 ( 1.302 5.374 4.531) 7.149 5.277 ( -8.668 -2.552 -1.062) 9.098 5.597 ( -5.595 12.736 0.390) 13.917 5.778 ( -10.058 5.643 -4.142) 12.253 7.075 ( 4.244 -1.252 1.013) 4.539 7.242 ( 1.142 -3.725 -0.295) 3.908 7.397 ( 4.546 -4.495 2.534) 6.877 7.565 ( 4.087 2.471 2.256) 5.282 7.617 ( 1.831 -0.270 2.749) 3.314 7.763 ( -3.384 -1.577 -0.696) 3.798 7.825 ( -0.057 0.948 -2.547) 2.718 8.074 ( 2.865 -4.709 -5.950) 8.111 8.910 ( -4.800 4.695 1.254) 6.831 9.029 ( -8.147 8.358 -1.477) 11.765 9.290 ( 1.812 -5.487 2.415) 6.263 9.386 ( 0.326 -10.143 -0.115) 10.149 9.589 ( 9.692 0.983 0.320) 9.747 9.689 ( 8.848 2.324 -0.697) 9.174 10.222 ( 4.633 -7.910 -1.298) 9.259 10.281 ( 3.951 -6.312 0.203) 7.449 11.133 ( 5.000 -2.026 2.127) 5.799 11.277 ( 3.447 -2.983 -0.184) 4.562 11.615 ( 3.990 -0.689 2.420) 4.717 11.806 ( 5.165 -2.941 -1.611) 6.158 12.180 ( 0.151 2.736 3.078) 4.121 12.270 ( -5.850 1.320 -1.285) 6.133 12.654 ( -3.014 -1.998 -6.949) 7.833 12.678 ( -2.833 -2.784 -2.566) 4.729 13.143 ( -1.176 5.844 7.027) 9.215 13.248 ( -2.885 0.671 -1.808) 3.470 13.620 ( -7.160 -1.226 4.419) 8.503 13.867 ( 1.189 8.544 0.471) 8.639 14.053 ( -13.507 5.388 -5.465) 15.535 14.576 ( 3.435 4.319 5.364) 7.696 17.023 ( -0.786 1.286 -0.665) 1.647 17.080 ( -2.107 1.837 -0.520) 2.843 17.323 ( 0.694 -2.214 5.774) 6.223 17.892 ( -4.610 7.752 0.744) 9.050 17.902 ( -2.659 4.528 -1.536) 5.471 18.058 ( -2.530 -2.286 -10.884) 11.406 19.326 ( 22.988 -17.694 15.090) 32.699 20.201 ( 2.750 -7.508 -12.003) 14.422 ======================= Grid point 219 (42/81) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 2.072 -3.589 -0.110) 4.146 2.135 ( -3.884 6.727 9.781) 12.490 2.142 ( -5.149 8.918 -14.878) 18.094 2.211 ( -5.228 9.055 8.025) 13.180 2.480 ( -6.458 11.186 -8.109) 15.251 2.836 ( 5.363 -9.289 2.209) 10.951 2.936 ( -1.885 3.265 8.508) 9.306 3.363 ( 1.761 -3.050 -1.018) 3.666 3.586 ( 5.416 -9.382 -1.547) 10.943 3.719 ( 2.365 -4.096 -5.540) 7.285 3.940 ( -0.197 0.342 -1.896) 1.936 4.339 ( -3.249 5.627 5.678) 8.629 5.051 ( -2.508 4.344 0.721) 5.068 5.128 ( -2.379 4.120 3.134) 5.697 5.653 ( -4.121 7.138 -0.517) 8.258 5.687 ( -6.567 11.375 -5.164) 14.114 7.116 ( 0.745 -1.290 -0.347) 1.529 7.221 ( 2.352 -4.074 1.574) 4.961 7.416 ( 3.342 -5.788 2.153) 7.022 7.627 ( 0.319 -0.552 3.420) 3.479 7.669 ( 0.311 -0.539 2.244) 2.329 7.673 ( -0.688 1.191 -0.745) 1.564 7.834 ( -0.057 0.098 -3.047) 3.049 8.073 ( 3.239 -5.610 -5.943) 8.790 8.893 ( -2.953 5.115 1.066) 6.002 9.001 ( -6.066 10.506 -1.530) 12.227 9.288 ( 2.588 -4.483 2.051) 5.568 9.324 ( 4.238 -7.341 0.241) 8.480 9.687 ( 0.368 -0.637 -0.007) 0.736 9.780 ( 0.951 -1.648 0.032) 1.903 10.221 ( 6.142 -10.638 -2.296) 12.496 10.278 ( 5.318 -9.211 1.096) 10.693 11.172 ( 1.974 -3.419 0.911) 4.052 11.291 ( 2.398 -4.153 1.242) 4.954 11.653 ( 1.263 -2.187 2.170) 3.330 11.834 ( 2.888 -5.002 -1.230) 5.906 12.210 ( -2.902 5.027 -1.316) 5.952 12.217 ( -1.972 3.416 3.732) 5.431 12.601 ( 0.656 -1.136 -7.234) 7.352 12.636 ( 1.678 -2.906 -2.053) 3.934 13.165 ( -2.917 5.053 8.040) 9.934 13.227 ( -2.378 4.119 -3.015) 5.631 13.554 ( -0.915 1.584 2.727) 3.284 13.905 ( -1.097 1.900 -1.417) 2.612 13.979 ( -8.550 14.808 -6.403) 18.259 14.623 ( -0.147 0.255 9.282) 9.286 17.019 ( -0.031 0.054 -1.776) 1.777 17.072 ( -1.707 2.956 2.239) 4.082 17.320 ( 1.071 -1.855 4.622) 5.094 17.883 ( -6.263 10.848 -1.258) 12.590 17.928 ( -2.937 5.088 1.208) 5.997 18.006 ( -0.124 0.214 -11.483) 11.486 19.438 ( 14.917 -25.837 13.822) 32.880 20.184 ( 4.524 -7.836 -11.986) 15.018 ======================= Grid point 231 (43/81) ======================= q-point: (-0.33 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 14.967 -3.686 4.324) 16.010 1.975 ( 1.247 18.336 16.664) 24.808 2.500 ( 2.054 -4.949 0.089) 5.359 2.575 ( -9.684 -7.072 -10.574) 15.988 2.698 ( -5.383 10.149 -7.768) 13.868 2.820 ( -2.436 -1.260 1.032) 2.930 2.947 ( 3.090 1.624 0.747) 3.570 3.258 ( 0.323 2.499 4.804) 5.425 3.308 ( 8.168 -2.808 -0.699) 8.666 3.631 ( 2.107 -2.530 -8.838) 9.431 4.202 ( -11.742 -4.376 -1.128) 12.581 4.472 ( -3.576 1.118 4.110) 5.561 4.974 ( 1.379 2.606 4.500) 5.380 5.323 ( -2.024 -3.982 -3.033) 5.399 5.859 ( -10.506 9.224 2.978) 14.294 5.992 ( -8.479 4.470 -2.816) 9.991 6.996 ( 4.503 0.736 1.438) 4.784 7.205 ( 1.290 0.353 -0.940) 1.635 7.294 ( 2.736 -3.182 2.128) 4.706 7.502 ( 4.687 0.794 1.111) 4.881 7.597 ( 0.409 -0.090 1.773) 1.821 7.767 ( 0.437 -1.649 -1.919) 2.568 7.856 ( -2.774 -0.070 -1.434) 3.123 8.006 ( 1.347 -2.714 -4.198) 5.177 9.065 ( -6.582 5.372 2.308) 8.804 9.167 ( 3.295 -7.161 0.167) 7.885 9.231 ( -5.133 5.751 -0.829) 7.753 9.273 ( 2.811 -8.189 -0.607) 8.680 9.434 ( 9.811 4.757 2.018) 11.089 9.545 ( 9.314 1.960 -1.778) 9.682 10.137 ( -1.159 -5.164 -0.753) 5.345 10.197 ( 0.115 -4.830 1.624) 5.097 11.049 ( 3.686 0.290 2.530) 4.480 11.191 ( 3.664 -2.183 -1.136) 4.414 11.546 ( 2.974 -0.461 2.212) 3.735 11.684 ( 5.327 -3.364 -0.230) 6.305 12.176 ( 2.220 1.592 2.441) 3.663 12.351 ( -3.838 -1.153 -2.045) 4.499 12.717 ( -3.925 1.775 -7.823) 8.931 12.750 ( -6.284 -0.520 -3.532) 7.227 13.196 ( -0.039 2.584 5.551) 6.123 13.287 ( -0.545 1.784 1.957) 2.704 13.719 ( -7.444 -3.992 4.877) 9.754 13.889 ( 1.172 1.131 0.269) 1.651 14.323 ( -10.965 5.861 -8.225) 14.907 14.528 ( 4.913 1.879 7.737) 9.355 17.035 ( -0.637 -1.588 -1.709) 2.418 17.122 ( -1.548 0.638 -0.806) 1.858 17.323 ( -1.833 0.233 2.546) 3.145 17.863 ( 7.962 -7.716 -9.436) 14.559 17.995 ( 0.880 3.436 -1.393) 3.811 18.085 ( -2.777 6.849 -3.144) 8.031 18.944 ( 9.903 -3.076 23.638) 25.813 20.098 ( 0.422 -7.983 -14.189) 16.286 ======================= Grid point 232 (44/81) ======================= q-point: (-0.25 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 17.122 -1.344 -2.692) 17.384 2.215 ( 3.799 11.823 11.005) 16.593 2.275 ( -9.594 -3.350 -8.085) 12.985 2.481 ( -7.653 0.141 8.054) 11.111 2.691 ( -2.945 5.105 -4.925) 7.680 2.738 ( -5.293 1.613 -5.639) 7.900 2.994 ( -0.501 3.278 6.034) 6.885 3.331 ( 2.746 3.546 -0.726) 4.543 3.406 ( 6.898 -5.237 1.330) 8.763 3.634 ( 1.984 -4.104 -8.415) 9.570 3.987 ( -6.781 -3.222 -3.829) 8.427 4.417 ( -2.679 0.415 7.632) 8.099 5.056 ( 4.127 3.345 1.533) 5.529 5.218 ( -5.037 -3.574 -1.133) 6.280 5.810 ( -5.867 8.649 3.201) 10.931 5.914 ( -7.474 8.004 -4.055) 11.677 7.089 ( 3.851 2.628 0.395) 4.679 7.182 ( -2.210 -2.237 0.489) 3.182 7.315 ( 2.857 -3.228 1.223) 4.481 7.599 ( 2.695 -0.254 1.045) 2.902 7.611 ( 3.757 0.812 1.913) 4.293 7.723 ( -3.026 -2.627 -0.130) 4.009 7.825 ( -0.086 -1.056 -2.989) 3.171 7.997 ( 0.968 -2.519 -3.950) 4.783 9.025 ( -4.861 6.214 2.608) 8.310 9.158 ( 1.277 -2.023 -1.026) 2.603 9.206 ( -0.962 -0.800 -0.182) 1.265 9.235 ( -1.846 0.953 -0.060) 2.078 9.633 ( 7.422 2.167 1.371) 7.853 9.707 ( 6.706 -0.488 -0.753) 6.766 10.061 ( 0.954 -8.228 -2.388) 8.620 10.130 ( 1.218 -8.733 2.639) 9.204 11.117 ( 2.951 0.338 0.943) 3.117 11.215 ( 2.018 -3.144 0.615) 3.786 11.591 ( 3.354 -2.087 1.123) 4.107 11.713 ( 4.200 -6.834 0.648) 8.047 12.253 ( 1.775 4.932 0.908) 5.320 12.311 ( -2.683 3.217 0.059) 4.190 12.627 ( -3.865 -2.091 -1.992) 4.825 12.641 ( -5.467 0.885 -7.199) 9.083 13.235 ( 0.375 3.524 5.678) 6.693 13.295 ( -1.385 2.764 -0.677) 3.165 13.579 ( -3.482 -3.059 4.692) 6.595 13.895 ( 1.260 -3.116 -2.613) 4.257 14.273 ( -8.507 14.571 -10.212) 19.722 14.581 ( 2.561 -2.746 13.364) 13.881 17.009 ( 0.072 -1.972 -0.167) 1.981 17.105 ( -0.377 -0.308 0.434) 0.652 17.313 ( -0.613 1.017 0.665) 1.361 17.906 ( 6.297 -8.171 -11.212) 15.236 18.040 ( -2.288 7.177 -0.476) 7.548 18.093 ( -5.606 9.570 -2.098) 11.287 19.049 ( 9.222 -9.846 22.688) 26.395 20.036 ( 2.993 -9.227 -15.050) 17.905 ======================= Grid point 244 (45/81) ======================= q-point: (-0.42 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 7.726 -1.041 12.769) 14.961 2.128 ( 0.400 13.495 14.144) 19.553 2.396 ( 4.618 -1.836 0.748) 5.026 2.658 ( -7.841 -7.997 -9.610) 14.757 2.753 ( 2.666 3.432 5.681) 7.152 2.878 ( -1.357 2.000 -5.230) 5.761 2.901 ( 4.097 3.072 -2.774) 5.824 3.193 ( 2.484 -1.087 -4.638) 5.372 3.314 ( -1.049 3.234 1.080) 3.567 3.593 ( 0.695 -0.475 -9.168) 9.207 4.327 ( -8.553 -6.735 -0.409) 10.894 4.506 ( -1.612 -2.303 4.032) 4.915 4.973 ( 0.748 1.195 4.803) 5.006 5.306 ( -1.494 -4.262 -3.198) 5.534 6.067 ( -6.174 2.567 2.347) 7.086 6.116 ( -3.208 -0.298 -1.142) 3.418 6.948 ( 3.224 3.009 1.346) 4.611 7.196 ( 2.983 4.458 -0.684) 5.407 7.254 ( -0.236 -1.168 1.677) 2.057 7.445 ( 2.370 0.644 -0.094) 2.457 7.597 ( -0.244 -0.035 1.194) 1.219 7.742 ( 0.109 -1.582 -1.693) 2.320 7.899 ( -2.914 -1.532 -2.357) 4.049 7.966 ( 1.539 -0.570 -2.038) 2.616 9.052 ( 2.243 -2.699 -0.069) 3.510 9.124 ( 2.466 -3.978 -0.731) 4.737 9.225 ( -2.097 4.545 1.648) 5.270 9.326 ( -0.603 2.731 -0.335) 2.817 9.366 ( 4.633 3.939 2.283) 6.496 9.457 ( 3.238 2.536 -1.720) 4.458 10.128 ( -2.637 -4.417 -0.406) 5.160 10.169 ( -1.623 -4.103 2.806) 5.229 11.017 ( 1.460 1.700 2.990) 3.737 11.120 ( 2.981 0.087 -2.121) 3.660 11.520 ( 0.195 0.800 2.301) 2.444 11.580 ( 2.763 -2.956 0.412) 4.067 12.155 ( 2.005 2.077 1.688) 3.344 12.385 ( -2.628 -2.945 -1.737) 4.312 12.797 ( -1.170 4.440 -7.892) 9.130 12.827 ( -2.739 -1.068 -6.824) 7.430 13.203 ( -1.080 -2.013 6.772) 7.147 13.306 ( 1.200 3.123 4.034) 5.241 13.790 ( -4.985 -3.130 2.836) 6.534 13.863 ( -1.582 -6.422 1.671) 6.822 14.462 ( 2.235 2.314 7.935) 8.563 14.515 ( -2.998 3.431 -9.865) 10.866 17.020 ( -1.371 -3.901 -4.056) 5.792 17.146 ( -1.284 -0.874 0.077) 1.555 17.381 ( -4.161 0.471 -2.671) 4.967 17.610 ( 9.118 -5.363 -2.614) 10.896 18.020 ( 2.067 5.367 -0.910) 5.822 18.173 ( 1.134 6.841 -1.439) 7.082 18.856 ( 2.746 2.388 23.026) 23.312 20.038 ( -2.537 -7.697 -14.886) 16.949 ======================= Grid point 245 (46/81) ======================= q-point: (-0.33 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 15.529 3.064 2.382) 16.006 2.280 ( 1.021 9.520 10.129) 13.938 2.367 ( -6.364 -6.938 -4.422) 10.401 2.502 ( 0.617 0.549 -2.251) 2.397 2.772 ( -5.456 -0.600 6.145) 8.240 2.858 ( -0.725 2.977 -4.747) 5.650 3.025 ( 2.719 6.862 -1.022) 7.452 3.241 ( 5.253 -3.129 -3.780) 7.188 3.361 ( 1.723 6.619 3.152) 7.531 3.594 ( -0.124 -1.055 -9.404) 9.464 4.086 ( -10.179 -7.338 -3.056) 12.915 4.438 ( -1.963 -4.081 6.996) 8.334 5.017 ( 2.658 1.703 2.623) 4.105 5.221 ( -2.003 -6.274 -2.713) 7.123 5.983 ( -6.443 3.690 3.805) 8.343 6.062 ( -3.764 2.241 -2.258) 4.928 7.052 ( 4.047 4.431 0.411) 6.015 7.224 ( -2.242 -0.787 0.929) 2.551 7.277 ( 1.024 3.902 -0.685) 4.092 7.520 ( 5.288 1.084 -0.011) 5.398 7.594 ( 0.000 -0.095 0.846) 0.851 7.718 ( -0.439 -3.188 -0.571) 3.268 7.829 ( -2.350 -2.835 -2.502) 4.452 7.979 ( 0.324 0.158 -1.560) 1.601 9.064 ( 1.939 -2.330 0.351) 3.052 9.113 ( 0.083 -1.589 0.116) 1.596 9.238 ( -2.867 5.552 1.374) 6.398 9.348 ( -1.486 4.981 -1.191) 5.333 9.514 ( 8.069 2.711 3.178) 9.086 9.572 ( 7.501 0.985 -1.976) 7.819 10.021 ( -3.383 -6.399 -1.981) 7.504 10.066 ( -2.778 -8.071 3.931) 9.397 11.077 ( 3.195 2.245 2.522) 4.648 11.173 ( 1.530 0.627 -2.098) 2.671 11.517 ( 1.760 -3.252 1.117) 3.863 11.584 ( 2.713 -6.329 1.374) 7.022 12.259 ( 4.095 6.954 -1.426) 8.195 12.355 ( 0.149 2.307 1.286) 2.645 12.708 ( -6.821 -1.832 -3.801) 8.020 12.775 ( -7.222 1.710 -5.998) 9.542 13.206 ( 3.490 -0.977 4.737) 5.964 13.335 ( -0.980 1.111 2.925) 3.278 13.619 ( -6.036 -5.604 3.471) 8.938 13.819 ( 2.031 -5.575 -2.235) 6.340 14.491 ( -0.150 3.055 5.610) 6.390 14.541 ( -2.439 6.387 -5.683) 8.890 16.975 ( 0.543 -3.770 -1.395) 4.056 17.087 ( -1.144 -4.847 0.062) 4.981 17.353 ( -1.703 2.577 -2.149) 3.763 17.685 ( 7.580 -8.225 -4.629) 12.105 18.136 ( 1.398 10.102 -1.464) 10.303 18.248 ( -1.737 8.660 -0.758) 8.865 18.913 ( 2.827 -0.570 23.897) 24.071 19.916 ( -0.504 -10.373 -16.707) 19.672 ======================= Grid point 246 (47/81) ======================= q-point: (-0.25 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 2.892 -5.010 -1.029) 5.875 2.145 ( 1.788 -3.096 -11.618) 12.155 2.415 ( -1.848 3.201 8.197) 8.992 2.564 ( -3.556 6.159 9.093) 11.544 2.648 ( 0.289 -0.500 2.686) 2.748 2.873 ( -2.503 4.335 -4.651) 6.833 3.084 ( -3.349 5.801 0.563) 6.723 3.278 ( 3.345 -5.793 -3.297) 7.458 3.453 ( -3.217 5.573 4.309) 7.744 3.568 ( 0.978 -1.695 -9.609) 9.806 3.936 ( 0.966 -1.673 -5.714) 6.032 4.395 ( 1.410 -2.442 8.753) 9.196 5.069 ( 0.855 -1.481 1.112) 2.040 5.152 ( 1.705 -2.953 -2.057) 3.982 5.944 ( -3.156 5.466 4.347) 7.664 6.041 ( -2.391 4.141 -2.740) 5.511 7.142 ( -0.243 0.420 0.440) 0.655 7.169 ( -1.163 2.014 0.292) 2.344 7.303 ( -1.620 2.805 -0.959) 3.378 7.583 ( 0.513 -0.889 -1.055) 1.472 7.616 ( 0.763 -1.322 2.715) 3.114 7.669 ( 1.098 -1.902 -0.920) 2.381 7.792 ( 1.131 -1.960 -2.472) 3.352 7.982 ( -0.270 0.468 -1.367) 1.470 9.067 ( 0.681 -1.180 1.047) 1.718 9.109 ( 0.536 -0.929 -0.195) 1.090 9.238 ( -3.913 6.778 1.290) 7.932 9.361 ( -3.191 5.526 -1.180) 6.489 9.621 ( 2.320 -4.018 1.964) 5.039 9.666 ( 2.398 -4.153 -0.161) 4.798 9.936 ( 2.086 -3.613 -2.941) 5.104 9.981 ( 3.188 -5.521 4.129) 7.596 11.144 ( -1.173 2.031 -0.342) 2.371 11.164 ( 0.876 -1.517 1.912) 2.593 11.533 ( 2.137 -3.701 -1.281) 4.461 11.556 ( 4.893 -8.475 1.434) 9.890 12.356 ( -2.870 4.971 -1.940) 6.059 12.395 ( -2.757 4.775 3.662) 6.619 12.610 ( -0.418 0.723 -2.222) 2.373 12.691 ( -2.363 4.093 -5.980) 7.622 13.274 ( 0.382 -0.661 4.058) 4.129 13.286 ( 2.118 -3.668 1.304) 4.431 13.546 ( -0.459 0.795 3.209) 3.338 13.809 ( 2.963 -5.132 -3.331) 6.799 14.509 ( 2.166 -3.752 15.362) 15.962 14.548 ( -7.308 12.658 -14.171) 20.358 16.963 ( 1.480 -2.564 1.376) 3.265 17.048 ( 2.995 -5.187 -2.125) 6.355 17.353 ( -1.687 2.922 -1.558) 3.716 17.708 ( 5.660 -9.803 -5.325) 12.510 18.210 ( -5.164 8.944 -0.732) 10.353 18.273 ( -4.703 8.145 -1.218) 9.484 18.935 ( 1.612 -2.792 24.019) 24.235 19.855 ( 5.151 -8.922 -17.480) 20.290 ======================= Grid point 256 (48/81) ======================= q-point: (-0.42 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 6.002 10.395 4.372) 12.775 2.340 ( 4.691 8.126 12.668) 15.764 2.362 ( -4.010 -6.946 -4.496) 9.195 2.508 ( -1.400 -2.424 -5.263) 5.962 2.821 ( -0.056 -0.096 6.515) 6.516 2.865 ( 0.691 1.198 -0.117) 1.388 3.029 ( 4.853 8.405 -3.930) 10.471 3.178 ( -0.220 -0.382 -4.013) 4.037 3.387 ( 2.553 4.421 -0.485) 5.128 3.595 ( 0.231 0.400 -8.882) 8.894 4.147 ( -6.555 -11.354 -2.135) 13.283 4.425 ( -2.989 -5.177 6.234) 8.637 5.005 ( 1.198 2.075 3.394) 4.154 5.200 ( -3.522 -6.101 -2.949) 7.637 6.069 ( -1.114 -1.930 3.140) 3.850 6.092 ( -0.838 -1.451 -0.941) 1.922 7.041 ( 3.234 5.602 -0.066) 6.469 7.228 ( -0.604 -1.047 0.430) 1.283 7.314 ( 3.589 6.217 0.010) 7.179 7.472 ( 1.337 2.316 -1.203) 2.932 7.596 ( -0.034 -0.058 0.472) 0.477 7.702 ( -1.418 -2.456 -0.215) 2.844 7.837 ( -2.364 -4.095 -2.563) 5.378 7.978 ( 0.641 1.111 -0.627) 1.428 9.034 ( 0.218 0.378 -0.594) 0.737 9.099 ( 0.616 1.066 -0.166) 1.242 9.307 ( 2.081 3.605 2.121) 4.671 9.368 ( 1.260 2.182 -1.442) 2.903 9.452 ( 2.636 4.566 3.951) 6.589 9.520 ( 1.851 3.206 -2.038) 4.226 10.022 ( -3.577 -6.195 -1.785) 7.373 10.052 ( -4.225 -7.318 4.495) 9.571 11.060 ( 1.633 2.828 3.561) 4.832 11.166 ( 2.274 3.939 -4.106) 6.128 11.484 ( -3.227 -5.589 2.694) 6.993 11.525 ( -0.815 -1.411 0.454) 1.691 12.257 ( 4.677 8.100 -2.293) 9.630 12.364 ( 0.896 1.551 1.858) 2.581 12.769 ( -2.083 -3.607 -6.187) 7.459 12.856 ( -0.784 -1.358 -4.857) 5.104 13.158 ( -0.679 -1.176 6.992) 7.123 13.348 ( -0.262 -0.454 3.092) 3.136 13.652 ( -5.171 -8.957 0.344) 10.348 13.760 ( -1.446 -2.505 0.136) 2.896 14.475 ( -0.469 -0.813 13.213) 13.246 14.629 ( 3.931 6.809 -15.249) 17.156 16.943 ( -1.924 -3.333 -3.461) 5.176 17.071 ( -3.481 -6.029 1.669) 7.159 17.394 ( 0.607 1.051 -5.172) 5.313 17.565 ( -0.195 -0.339 1.444) 1.496 18.176 ( 5.587 9.678 -1.864) 11.329 18.307 ( 3.642 6.309 -0.308) 7.291 18.893 ( 0.760 1.316 23.230) 23.280 19.867 ( -5.313 -9.202 -17.272) 20.279 ======================= Grid point 258 (49/81) ======================= q-point: (-0.33 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 9.168 9.358 -2.827) 13.402 2.120 ( -7.240 -13.006 -10.045) 17.957 2.463 ( 0.937 5.855 8.705) 10.533 2.567 ( 4.574 4.024 3.032) 6.805 2.714 ( -5.881 -4.980 4.552) 8.950 2.946 ( -0.261 6.649 2.870) 7.247 3.162 ( 2.141 3.674 -3.715) 5.647 3.180 ( 1.504 -1.570 -2.017) 2.966 3.502 ( 3.831 7.434 -1.111) 8.437 3.593 ( -1.997 0.850 -7.425) 7.736 3.928 ( -5.406 -8.333 -4.930) 11.089 4.340 ( -0.260 -5.084 8.244) 9.689 5.043 ( 1.139 1.101 2.219) 2.726 5.100 ( -0.768 -5.431 -2.375) 5.977 6.025 ( -2.566 1.265 3.360) 4.413 6.073 ( -0.100 -0.817 -0.562) 0.997 7.137 ( 2.328 3.625 -0.722) 4.368 7.202 ( -1.484 -0.965 -0.351) 1.805 7.401 ( -1.772 7.390 -1.255) 7.702 7.542 ( 4.252 0.925 -2.467) 5.002 7.595 ( 0.077 0.166 0.878) 0.896 7.650 ( -1.240 -3.577 1.240) 3.984 7.763 ( -1.124 -3.408 -1.642) 3.946 7.994 ( -0.005 0.937 -0.308) 0.986 9.051 ( 0.633 0.625 -0.939) 1.293 9.129 ( -0.419 3.104 0.577) 3.185 9.359 ( -1.560 5.839 2.083) 6.393 9.414 ( 1.086 1.970 -0.998) 2.461 9.525 ( 3.451 -1.343 2.942) 4.729 9.569 ( 3.246 -2.119 -0.789) 3.956 9.911 ( -2.344 -4.138 -1.918) 5.128 9.924 ( -1.967 -5.327 4.268) 7.104 11.133 ( 2.909 3.727 3.189) 5.703 11.218 ( -2.584 3.592 -1.965) 4.841 11.397 ( 2.871 -7.896 2.034) 8.645 11.478 ( -0.584 -4.683 -3.130) 5.662 12.428 ( 2.888 9.591 -3.255) 10.532 12.453 ( 3.475 7.566 3.751) 9.131 12.667 ( -6.239 -2.400 -2.988) 7.322 12.764 ( -4.206 -3.664 -0.446) 5.596 13.174 ( 3.455 -1.705 2.520) 4.604 13.258 ( -2.502 -7.816 0.885) 8.255 13.582 ( -0.874 1.956 0.719) 2.260 13.722 ( 0.941 -4.367 -1.402) 4.682 14.455 ( 0.430 -2.326 14.712) 14.901 14.731 ( -1.342 8.201 -16.932) 18.861 16.909 ( 1.587 -2.665 -0.806) 3.204 16.960 ( -1.231 -6.567 0.237) 6.685 17.415 ( -1.186 3.571 -2.109) 4.314 17.565 ( 2.690 -4.584 -0.252) 5.321 18.342 ( 1.266 9.694 -1.088) 9.836 18.393 ( -0.986 5.665 -0.188) 5.753 18.908 ( 0.479 -0.134 23.372) 23.377 19.719 ( -0.364 -8.923 -19.337) 21.300 ======================= Grid point 271 (50/81) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -6.466 -11.200 -7.812) 15.109 1.862 ( 6.466 11.200 -7.812) 15.109 2.574 ( -2.414 -4.182 7.259) 8.718 2.574 ( 2.414 4.182 7.259) 8.718 2.639 ( 0.000 0.000 1.905) 1.905 3.081 ( -3.094 -5.359 1.811) 6.447 3.081 ( 3.094 5.359 1.811) 6.447 3.223 ( 0.000 0.000 -5.348) 5.348 3.605 ( -0.493 -0.854 -4.097) 4.214 3.605 ( 0.493 0.854 -4.097) 4.214 3.818 ( -0.000 -0.000 -6.894) 6.894 4.282 ( 0.000 0.000 8.874) 8.874 5.042 ( 0.000 0.000 -2.145) 2.145 5.056 ( 0.000 0.000 2.432) 2.432 6.049 ( -0.660 -1.143 1.612) 2.083 6.049 ( 0.660 1.143 1.612) 2.083 7.183 ( -0.637 -1.103 -1.175) 1.733 7.183 ( 0.637 1.103 -1.175) 1.733 7.523 ( -2.066 -3.578 -3.172) 5.209 7.523 ( 2.066 3.578 -3.172) 5.209 7.601 ( -0.404 -0.699 1.877) 2.043 7.601 ( 0.404 0.699 1.877) 2.043 7.722 ( 0.000 0.000 -0.376) 0.376 8.005 ( 0.000 0.000 -0.044) 0.044 9.064 ( 0.000 0.000 -1.755) 1.755 9.177 ( 0.000 0.000 1.666) 1.666 9.434 ( -0.268 -0.465 0.236) 0.586 9.434 ( 0.268 0.465 0.236) 0.586 9.507 ( -0.997 -1.727 1.576) 2.542 9.507 ( 0.997 1.727 1.576) 2.542 9.874 ( -0.091 -0.157 1.144) 1.158 9.874 ( 0.091 0.157 1.144) 1.158 11.207 ( 0.000 0.000 5.520) 5.520 11.275 ( -0.898 -1.555 0.206) 1.808 11.275 ( 0.898 1.555 0.206) 1.808 11.416 ( 0.000 0.000 -7.188) 7.188 12.584 ( 0.000 0.000 -7.967) 7.967 12.600 ( -0.757 -1.311 -0.655) 1.649 12.600 ( 0.757 1.311 -0.655) 1.649 12.653 ( 0.000 0.000 11.586) 11.586 13.157 ( -0.093 -0.160 -0.615) 0.642 13.157 ( 0.093 0.160 -0.615) 0.642 13.644 ( -1.876 -3.249 -0.249) 3.760 13.644 ( 1.876 3.249 -0.249) 3.760 14.430 ( 0.000 0.000 14.658) 14.658 14.815 ( 0.000 0.000 -18.316) 18.316 16.885 ( -0.350 -0.606 0.290) 0.758 16.885 ( 0.350 0.606 0.290) 0.758 17.486 ( -1.886 -3.266 -0.586) 3.817 17.486 ( 1.886 3.266 -0.586) 3.817 18.450 ( -0.144 -0.249 -0.107) 0.307 18.450 ( 0.144 0.249 -0.107) 0.307 18.906 ( 0.000 0.000 23.240) 23.240 19.621 ( 0.000 0.000 -20.998) 20.998 ======================= Grid point 314 (51/81) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 -0.000 31.108) 31.108 1.443 ( -0.000 0.000 31.108) 31.108 1.988 ( 0.000 -0.000 43.177) 43.177 2.056 ( 0.000 -0.000 -26.235) 26.235 2.056 ( 0.000 0.000 -26.235) 26.235 2.843 ( 0.000 -0.000 -36.602) 36.602 3.671 ( 0.000 0.000 4.868) 4.868 3.671 ( 0.000 0.000 4.868) 4.868 3.734 ( 0.000 -0.000 -1.244) 1.244 3.734 ( 0.000 -0.000 -1.244) 1.244 4.009 ( 0.000 -0.000 8.784) 8.784 4.178 ( 0.000 0.000 -6.037) 6.037 4.914 ( 0.000 0.000 5.572) 5.572 4.914 ( 0.000 -0.000 5.572) 5.572 5.044 ( 0.000 0.000 -6.205) 6.205 5.044 ( 0.000 0.000 -6.205) 6.205 7.449 ( 0.000 0.000 4.246) 4.246 7.449 ( 0.000 0.000 4.246) 4.246 7.501 ( -0.000 -0.000 6.352) 6.352 7.551 ( 0.000 -0.000 -5.040) 5.040 7.551 ( -0.000 -0.000 -5.040) 5.040 7.638 ( 0.000 0.000 -6.111) 6.111 8.053 ( -0.000 0.000 10.777) 10.777 8.288 ( 0.000 0.000 -10.697) 10.697 9.063 ( 0.000 -0.000 2.676) 2.676 9.110 ( -0.000 0.000 -1.538) 1.538 9.483 ( 0.000 -0.000 5.946) 5.946 9.483 ( -0.000 0.000 5.946) 5.946 9.606 ( 0.000 -0.000 -5.255) 5.255 9.606 ( 0.000 -0.000 -5.255) 5.255 11.047 ( -0.000 0.000 3.137) 3.137 11.115 ( 0.000 -0.000 -3.036) 3.036 11.494 ( 0.000 -0.000 0.911) 0.911 11.494 ( 0.000 -0.000 0.911) 0.911 11.514 ( 0.000 -0.000 -0.894) 0.894 11.514 ( -0.000 0.000 -0.894) 0.894 12.163 ( 0.000 0.000 1.881) 1.881 12.203 ( 0.000 -0.000 -1.758) 1.758 12.778 ( 0.000 -0.000 7.048) 7.048 12.778 ( 0.000 0.000 7.048) 7.048 12.935 ( 0.000 -0.000 -7.220) 7.220 12.935 ( 0.000 -0.000 -7.220) 7.220 13.224 ( 0.000 0.000 1.456) 1.456 13.224 ( 0.000 0.000 1.456) 1.456 13.254 ( 0.000 -0.000 -1.396) 1.396 13.254 ( 0.000 0.000 -1.396) 1.396 16.917 ( -0.000 0.000 1.651) 1.651 16.953 ( 0.000 0.000 -1.630) 1.630 17.498 ( 0.000 0.000 4.948) 4.948 17.498 ( -0.000 -0.000 4.948) 4.948 17.604 ( 0.000 0.000 -4.686) 4.686 17.604 ( -0.000 0.000 -4.686) 4.686 21.183 ( 0.000 -0.000 0.167) 0.167 21.186 ( 0.000 -0.000 -0.094) 0.094 ======================= Grid point 315 (52/81) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -8.688 2.660 28.670) 30.075 1.593 ( 15.402 -15.611 31.501) 38.383 1.820 ( -6.371 -11.589 -26.805) 29.890 2.214 ( -2.925 14.954 -26.143) 30.260 2.293 ( 15.973 21.120 34.143) 43.207 2.972 ( 11.482 1.475 -28.729) 30.973 3.509 ( -9.230 -8.412 9.095) 15.449 3.640 ( -7.471 -3.231 -2.969) 8.664 3.661 ( -2.138 0.388 5.800) 6.193 3.751 ( 1.127 0.464 -2.403) 2.695 4.026 ( 1.764 -2.016 3.692) 4.562 4.107 ( -6.754 -1.354 -3.138) 7.570 4.939 ( 1.628 2.428 6.162) 6.820 4.993 ( 6.496 1.509 4.820) 8.228 5.081 ( 3.617 2.271 -6.803) 8.032 5.128 ( 5.931 4.508 -6.814) 10.096 7.370 ( -5.078 -0.539 4.253) 6.646 7.461 ( -3.167 -0.957 -0.827) 3.411 7.473 ( 1.596 -4.018 0.844) 4.405 7.570 ( 1.077 1.556 -4.790) 5.150 7.593 ( 4.157 4.022 4.657) 7.426 7.700 ( 3.263 0.462 -4.477) 5.559 8.011 ( -3.584 -2.254 10.252) 11.092 8.235 ( -4.631 -2.575 -10.184) 11.480 8.872 ( -11.363 -6.126 4.892) 13.805 8.937 ( -7.747 -4.744 -1.500) 9.207 9.482 ( -0.638 0.173 5.706) 5.744 9.582 ( -0.695 3.414 -1.894) 3.965 9.641 ( 5.821 -1.319 -0.437) 5.984 9.681 ( 4.815 2.382 -2.659) 5.994 10.858 ( -11.749 -7.156 2.009) 13.903 10.910 ( -13.382 -7.347 -2.570) 15.481 11.463 ( -1.746 -3.204 0.801) 3.736 11.479 ( -3.656 -0.369 -0.590) 3.722 11.671 ( 7.472 7.166 1.215) 10.424 11.697 ( 11.295 4.167 -1.140) 12.093 12.096 ( -2.867 -0.483 2.619) 3.913 12.131 ( -4.204 -2.682 -0.944) 5.075 12.777 ( -3.017 -2.510 1.019) 4.054 12.798 ( -4.293 -1.410 -1.361) 4.719 12.957 ( 5.230 -1.393 1.812) 5.708 13.053 ( 3.534 9.997 -5.896) 12.133 13.298 ( 8.076 10.712 2.029) 13.568 13.361 ( 14.507 0.946 -2.596) 14.768 13.410 ( 13.249 4.198 -0.000) 13.898 13.434 ( 15.584 7.912 -2.772) 17.696 16.912 ( 0.411 -1.047 1.384) 1.783 16.948 ( -0.404 0.347 -1.879) 1.953 17.501 ( 2.097 2.270 4.333) 5.322 17.600 ( 3.940 1.380 0.040) 4.175 17.607 ( 4.891 2.089 0.448) 5.337 17.705 ( 4.879 5.213 -3.920) 8.145 20.942 ( -19.316 -10.303 2.428) 22.027 20.966 ( -17.957 -11.031 -0.300) 21.077 ======================= Grid point 316 (53/81) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 11.527 5.121 11.818) 17.285 1.659 ( 0.172 -7.732 -19.063) 20.572 1.719 ( 16.691 -15.085 25.979) 34.366 2.285 ( -7.172 18.895 -24.261) 31.576 2.739 ( 10.036 18.187 22.260) 30.447 3.095 ( 0.238 -3.109 -7.741) 8.345 3.292 ( -8.260 -2.132 7.994) 11.690 3.449 ( -8.252 -6.173 -6.138) 11.995 3.664 ( 2.831 -3.383 3.189) 5.443 3.790 ( 4.554 -3.159 -7.570) 9.382 3.975 ( -4.863 1.962 2.955) 6.019 4.028 ( 0.199 -0.191 -1.327) 1.355 5.000 ( 2.604 2.378 7.898) 8.649 5.151 ( 7.716 6.130 5.184) 11.135 5.170 ( 5.196 0.821 -6.564) 8.412 5.313 ( 9.150 6.113 -8.294) 13.780 7.280 ( -5.235 -0.302 3.570) 6.344 7.358 ( -3.915 -3.723 -3.289) 6.325 7.511 ( 2.941 -0.731 3.980) 5.003 7.602 ( 0.725 0.974 -3.938) 4.121 7.685 ( 2.121 2.329 2.573) 4.068 7.725 ( 0.568 -0.792 -0.796) 1.259 7.903 ( -4.982 -3.646 8.547) 10.544 8.104 ( -6.426 -3.473 -9.648) 12.102 8.761 ( 0.835 0.919 2.592) 2.874 8.817 ( -1.775 -1.118 -2.468) 3.239 9.464 ( -1.078 -0.904 5.320) 5.502 9.570 ( -2.485 1.009 -4.280) 5.051 9.685 ( 0.747 -1.571 2.915) 3.395 9.737 ( 0.018 -0.636 -1.853) 1.959 10.582 ( -11.600 -8.275 0.328) 14.253 10.607 ( -13.754 -6.735 -1.730) 15.412 11.374 ( -5.216 -2.664 1.342) 6.009 11.396 ( -4.042 -2.759 -0.773) 4.955 11.757 ( -0.767 -0.070 3.761) 3.839 11.834 ( 1.134 -0.634 -3.478) 3.713 12.098 ( 4.138 -1.247 2.258) 4.877 12.129 ( 2.203 6.412 -0.183) 6.783 12.684 ( -6.269 1.466 -2.028) 6.750 12.696 ( -2.062 -4.459 -2.336) 5.440 13.048 ( 7.966 -3.983 5.366) 10.398 13.157 ( -0.815 10.029 -4.765) 11.133 13.548 ( 6.141 10.297 2.684) 12.286 13.563 ( 8.975 2.363 0.935) 9.328 13.716 ( 14.059 12.664 4.981) 19.566 13.901 ( 25.784 -0.550 -12.072) 28.476 16.924 ( 2.868 -1.736 1.169) 3.551 16.961 ( 0.761 2.096 -2.185) 3.122 17.580 ( 4.205 0.375 5.422) 6.871 17.687 ( 4.285 3.820 -3.488) 6.717 17.726 ( 3.481 4.608 5.022) 7.653 17.840 ( 4.199 5.012 -4.596) 7.992 20.441 ( -25.435 -17.102 2.039) 30.718 20.480 ( -20.930 -9.606 -1.301) 23.065 ======================= Grid point 317 (54/81) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 15.353 6.294 -3.662) 16.992 1.669 ( 8.762 -0.546 -8.234) 12.036 1.876 ( 17.028 -12.183 22.857) 30.996 2.356 ( -5.567 18.009 -20.718) 28.010 2.866 ( -5.694 1.488 11.388) 12.819 3.008 ( -3.706 -2.867 -0.306) 4.696 3.153 ( -8.106 -0.772 5.746) 9.966 3.297 ( -3.660 -3.902 -6.975) 8.790 3.618 ( -5.161 -3.852 4.944) 8.119 3.714 ( -6.051 -3.997 -1.834) 7.480 4.097 ( 3.728 9.346 -0.591) 10.079 4.112 ( 14.897 -0.815 -2.701) 15.162 5.063 ( 2.049 1.937 8.534) 8.988 5.234 ( 1.708 2.114 -7.151) 7.650 5.404 ( 14.282 5.567 5.633) 16.331 5.548 ( 10.648 8.069 -7.192) 15.173 7.185 ( -5.247 -0.962 3.383) 6.317 7.259 ( -3.816 -3.263 -3.222) 5.966 7.532 ( -0.735 -0.631 3.668) 3.794 7.584 ( -2.566 -2.222 -0.227) 3.402 7.682 ( -0.339 -2.416 2.678) 3.623 7.730 ( -1.266 -0.264 -1.519) 1.995 7.828 ( -0.488 0.465 4.079) 4.134 7.981 ( -4.210 -2.178 -8.690) 9.899 8.855 ( 5.435 3.027 0.626) 6.252 8.875 ( 7.282 4.542 -1.116) 8.655 9.429 ( -1.171 -2.227 4.691) 5.323 9.523 ( -3.245 -0.421 -3.822) 5.031 9.624 ( -6.488 -2.413 2.001) 7.205 9.658 ( -6.463 -4.700 -1.099) 8.067 10.337 ( -7.870 -6.463 -0.112) 10.184 10.350 ( -9.120 -4.169 -1.201) 10.100 11.254 ( -5.563 -2.586 2.529) 6.635 11.299 ( -4.069 -2.818 -1.677) 5.226 11.700 ( -3.398 -2.587 3.578) 5.571 11.775 ( -3.870 -3.260 -3.427) 6.111 12.187 ( 5.382 -0.244 2.755) 6.051 12.238 ( 2.367 6.190 -1.622) 6.822 12.621 ( -1.791 -0.086 -0.973) 2.039 12.651 ( -1.360 0.864 -3.116) 3.508 13.142 ( 7.523 -3.702 5.285) 9.912 13.235 ( -0.382 7.919 -3.367) 8.613 13.704 ( 7.577 -0.586 2.539) 8.013 13.721 ( 4.360 6.704 1.119) 8.075 14.055 ( 7.103 18.791 5.804) 20.910 14.224 ( 18.388 -8.638 -9.044) 22.238 16.972 ( 4.254 -1.390 1.388) 4.685 17.009 ( 1.773 2.797 -2.024) 3.881 17.592 ( -2.017 -2.283 10.270) 10.713 17.792 ( 1.578 4.511 -6.680) 8.214 17.832 ( 4.231 4.849 3.113) 7.149 17.915 ( 1.194 1.103 -5.731) 5.957 19.867 ( -20.795 -16.746 10.755) 28.784 20.108 ( -14.668 -4.399 -11.349) 19.060 ======================= Grid point 318 (55/81) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 1.683 7.522 9.040) 11.880 1.999 ( 18.412 -2.665 1.859) 18.697 2.056 ( 15.796 -5.176 2.384) 16.793 2.443 ( -3.433 15.197 -17.584) 23.494 2.739 ( -6.607 -1.929 8.274) 10.763 2.891 ( -5.303 -4.405 -4.763) 8.379 3.035 ( -4.769 -0.255 7.437) 8.838 3.208 ( -3.232 -3.832 -7.843) 9.308 3.453 ( -6.246 -6.522 6.651) 11.216 3.568 ( -7.920 -1.404 -4.459) 9.197 4.289 ( 4.212 12.795 2.019) 13.621 4.337 ( 13.153 -3.088 -2.300) 13.705 5.102 ( 0.776 1.123 8.197) 8.310 5.263 ( 0.219 0.514 -6.589) 6.613 5.721 ( 15.832 5.711 4.271) 17.364 5.821 ( 10.951 9.421 -4.683) 15.186 7.090 ( -4.718 -0.975 3.599) 6.014 7.168 ( -3.252 -3.077 -3.419) 5.633 7.452 ( -6.102 -1.087 4.300) 7.543 7.508 ( -2.430 -4.405 -0.457) 5.051 7.655 ( -0.872 -0.582 2.550) 2.757 7.704 ( -0.053 -1.797 -2.672) 3.220 7.854 ( 0.922 1.905 1.001) 2.341 7.928 ( -1.095 -0.336 -5.662) 5.776 9.015 ( 8.238 4.708 2.555) 9.826 9.069 ( 8.888 5.287 -2.387) 10.614 9.385 ( -0.554 -3.653 3.822) 5.316 9.412 ( -13.241 -4.459 1.370) 14.039 9.442 ( -7.759 -11.181 -1.342) 13.675 9.465 ( -6.519 3.365 -3.156) 7.986 10.218 ( -2.750 -0.303 0.474) 2.807 10.231 ( -1.652 -2.834 -0.758) 3.366 11.146 ( -3.996 -2.713 3.437) 5.928 11.209 ( -4.141 -1.421 -2.319) 4.954 11.612 ( -3.445 -2.807 2.894) 5.303 11.671 ( -3.911 -3.885 -2.592) 6.091 12.253 ( 2.156 0.426 3.240) 3.916 12.315 ( 1.182 3.907 -2.740) 4.916 12.609 ( 0.231 -0.754 -0.336) 0.857 12.662 ( 0.232 2.566 -4.478) 5.166 13.225 ( 5.821 -2.465 4.799) 7.937 13.295 ( -0.010 4.927 -1.635) 5.191 13.809 ( 7.417 -3.450 2.794) 8.644 13.836 ( 1.629 6.805 0.562) 7.020 14.311 ( 3.078 15.684 2.234) 16.138 14.379 ( 10.771 -8.456 -3.462) 14.124 17.020 ( 2.409 -1.477 1.528) 3.213 17.060 ( 1.197 1.880 -1.851) 2.897 17.509 ( -4.811 -0.197 8.969) 10.180 17.746 ( -7.334 -3.312 -13.044) 15.326 17.947 ( 4.846 1.437 0.482) 5.077 17.956 ( 1.995 3.122 -0.194) 3.711 19.472 ( -9.037 -11.996 20.531) 25.439 19.893 ( -9.071 0.322 -18.357) 20.478 ======================= Grid point 319 (56/81) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -3.355 8.851 21.093) 23.120 2.189 ( 12.306 -6.366 15.936) 21.117 2.263 ( 9.364 -3.487 -17.706) 20.331 2.540 ( -1.230 12.882 -14.500) 19.435 2.645 ( -1.850 -1.661 5.552) 6.083 2.782 ( -2.757 -3.085 -5.797) 7.122 2.961 ( -3.506 -2.416 7.525) 8.646 3.111 ( -4.068 -2.453 -6.204) 7.814 3.334 ( -1.411 -3.775 3.658) 5.443 3.446 ( -5.043 0.049 -6.934) 8.574 4.448 ( 1.615 9.037 2.077) 9.412 4.484 ( 7.627 -3.042 -1.023) 8.274 5.113 ( -0.082 0.228 7.542) 7.545 5.259 ( -0.734 0.114 -5.901) 5.947 6.004 ( 11.322 3.149 2.614) 12.039 6.059 ( 6.623 6.842 -2.291) 9.795 7.017 ( -3.413 0.482 3.856) 5.172 7.098 ( -1.239 -3.122 -3.437) 4.806 7.359 ( -3.399 -0.565 4.071) 5.334 7.430 ( -2.067 -2.547 -2.033) 3.859 7.644 ( -0.454 0.490 2.147) 2.249 7.691 ( 0.223 -1.297 -2.673) 2.979 7.883 ( 0.836 0.835 -0.036) 1.182 7.915 ( -0.679 -0.039 -3.073) 3.147 9.158 ( -9.448 -3.879 1.129) 10.275 9.178 ( 1.318 -2.237 0.851) 2.732 9.204 ( -3.637 -0.259 0.045) 3.646 9.246 ( 5.675 2.918 -2.192) 6.747 9.348 ( 0.195 -3.230 3.211) 4.559 9.413 ( -3.119 1.539 -2.578) 4.329 10.205 ( -1.116 2.630 0.728) 2.948 10.211 ( 1.579 -2.623 0.223) 3.070 11.072 ( -1.347 -2.902 3.479) 4.727 11.134 ( -4.215 0.863 -2.084) 4.780 11.544 ( -1.447 -2.062 1.841) 3.120 11.579 ( -2.568 -3.197 -1.430) 4.343 12.270 ( -1.078 1.888 4.896) 5.357 12.364 ( 1.486 1.445 -3.878) 4.398 12.606 ( 1.134 -2.234 -0.146) 2.510 12.691 ( -0.070 2.495 -6.958) 7.392 13.288 ( 3.746 -1.310 3.700) 5.426 13.327 ( -0.182 1.884 0.129) 1.897 13.888 ( 3.646 0.251 2.564) 4.464 13.910 ( 1.788 2.332 0.598) 2.998 14.415 ( 10.379 -15.717 2.972) 19.068 14.489 ( -4.899 19.982 -3.437) 20.859 17.019 ( -0.311 -0.913 0.466) 1.071 17.070 ( -1.202 -0.501 -3.383) 3.626 17.461 ( -2.331 2.773 4.242) 5.578 17.574 ( -5.286 -5.792 -6.940) 10.472 18.001 ( -0.053 3.353 1.151) 3.545 18.026 ( 3.683 -1.245 -1.265) 4.088 19.307 ( -0.308 -8.030 23.940) 25.252 19.791 ( -5.630 3.441 -20.731) 21.756 ======================= Grid point 320 (57/81) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -5.310 9.198 25.057) 27.215 2.285 ( 2.269 -3.931 -14.592) 15.281 2.298 ( 5.602 -9.703 15.567) 19.180 2.610 ( -4.932 8.542 -12.813) 16.170 2.634 ( 1.884 -3.264 0.871) 3.868 2.740 ( -0.148 0.257 -6.083) 6.091 2.902 ( 1.106 -1.915 7.606) 7.921 3.056 ( -0.728 1.262 -6.582) 6.741 3.312 ( 0.615 -1.065 1.804) 2.183 3.406 ( -0.498 0.863 -7.155) 7.224 4.508 ( -2.657 4.602 1.780) 5.604 4.533 ( 2.247 -3.892 -0.319) 4.506 5.111 ( 0.049 -0.084 7.243) 7.244 5.251 ( -0.361 0.625 -5.637) 5.683 6.124 ( 1.335 -2.313 1.333) 2.984 6.148 ( -1.127 1.953 -0.828) 2.402 6.990 ( -1.327 2.298 3.961) 4.768 7.071 ( 1.384 -2.398 -3.378) 4.367 7.329 ( -0.402 0.696 3.723) 3.809 7.400 ( 0.251 -0.435 -2.375) 2.428 7.644 ( -0.412 0.714 1.891) 2.063 7.687 ( 0.482 -0.835 -2.474) 2.655 7.898 ( 0.905 -1.567 -1.113) 2.125 7.903 ( -1.014 1.756 -1.522) 2.536 9.051 ( -0.102 0.176 0.876) 0.899 9.080 ( 0.177 -0.307 -1.743) 1.779 9.269 ( -0.045 0.078 2.160) 2.162 9.312 ( -0.227 0.393 -1.730) 1.788 9.334 ( 1.623 -2.811 3.021) 4.434 9.393 ( -1.392 2.411 -2.290) 3.605 10.211 ( -1.488 2.578 0.865) 3.100 10.214 ( 1.567 -2.715 0.687) 3.209 11.047 ( 1.633 -2.829 3.051) 4.469 11.098 ( -2.284 3.956 -1.531) 4.818 11.530 ( 1.057 -1.831 0.670) 2.218 11.533 ( 0.294 -0.510 -0.269) 0.647 12.268 ( -1.659 2.874 5.873) 6.745 12.385 ( 0.299 -0.518 -4.570) 4.609 12.605 ( 1.791 -3.103 -0.176) 3.587 12.703 ( -1.321 2.289 -8.058) 8.480 13.321 ( 1.323 -2.292 2.144) 3.406 13.327 ( -0.570 0.987 1.811) 2.140 13.923 ( -2.849 4.934 2.321) 6.152 13.937 ( 2.585 -4.478 0.746) 5.224 14.421 ( 9.575 -16.584 5.407) 19.899 14.548 ( -10.200 17.667 -5.690) 21.179 17.020 ( -2.900 5.023 -1.925) 6.111 17.036 ( 2.961 -5.129 -3.560) 6.910 17.465 ( -3.016 5.223 1.427) 6.198 17.496 ( 2.796 -4.842 -0.939) 5.670 18.016 ( -1.871 3.241 1.360) 3.982 18.051 ( 2.018 -3.496 -1.887) 4.456 19.270 ( 3.526 -6.108 24.126) 25.136 19.762 ( -3.079 5.333 -21.086) 21.967 ======================= Grid point 328 (58/81) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 1.908 3.306 22.420) 22.743 1.368 ( -0.761 -1.319 29.014) 29.054 1.648 ( -2.440 -4.227 -21.696) 22.238 2.488 ( 6.026 10.438 -20.479) 23.763 2.742 ( 11.744 20.341 23.239) 33.041 3.042 ( 3.148 5.452 -24.347) 25.147 3.326 ( -5.063 -8.770 9.794) 14.088 3.490 ( -6.155 -10.660 -4.094) 12.972 3.624 ( -1.420 -2.459 10.579) 10.954 3.755 ( -1.012 -1.752 -4.312) 4.763 4.007 ( 0.793 1.373 -4.428) 4.703 4.047 ( -2.499 -4.329 2.653) 5.658 5.023 ( 2.463 4.265 4.948) 6.982 5.034 ( 2.699 4.674 6.463) 8.420 5.185 ( 3.680 6.374 -8.766) 11.446 5.256 ( 5.222 9.045 -5.850) 11.971 7.345 ( -1.336 -2.314 3.490) 4.395 7.362 ( -3.198 -5.539 -3.141) 7.125 7.477 ( 0.704 1.219 2.600) 2.957 7.587 ( 0.546 0.946 -0.929) 1.434 7.697 ( 3.016 5.223 1.138) 6.138 7.700 ( -0.417 -0.723 -1.086) 1.370 7.929 ( -3.350 -5.803 9.356) 11.508 8.144 ( -3.616 -6.264 -9.519) 11.955 8.769 ( -0.998 -1.729 3.510) 4.038 8.833 ( -2.212 -3.832 -2.888) 5.283 9.468 ( -1.183 -2.049 4.218) 4.836 9.565 ( -1.984 -3.436 -2.761) 4.834 9.685 ( 1.757 3.043 0.569) 3.560 9.739 ( 1.634 2.830 0.461) 3.301 10.645 ( -7.732 -13.392 0.735) 15.481 10.697 ( -7.455 -12.912 -1.781) 15.015 11.388 ( -2.573 -4.456 0.010) 5.145 11.445 ( -2.016 -3.492 0.818) 4.114 11.767 ( 0.365 0.631 3.708) 3.779 11.798 ( 2.582 4.472 -2.849) 5.898 12.067 ( -1.323 -2.292 0.797) 2.764 12.150 ( 3.599 6.233 -0.108) 7.198 12.685 ( -2.874 -4.979 -3.043) 6.504 12.776 ( -1.246 -2.157 -2.625) 3.619 12.929 ( 0.175 0.303 4.145) 4.160 13.268 ( 4.166 7.215 -7.263) 11.052 13.446 ( 5.392 9.339 -3.415) 11.311 13.500 ( 3.086 5.345 2.371) 6.612 13.666 ( 7.779 13.474 -4.243) 16.127 13.678 ( 13.854 23.996 8.338) 28.936 16.888 ( -0.458 -0.793 1.530) 1.783 16.967 ( 1.017 1.762 -1.334) 2.433 17.544 ( 1.050 1.818 4.607) 5.062 17.667 ( 3.459 5.991 -3.626) 7.810 17.718 ( 4.179 7.238 3.421) 9.030 17.829 ( 3.670 6.357 -5.777) 9.342 20.580 ( -15.494 -26.836 0.602) 30.993 20.622 ( -11.411 -19.765 0.806) 22.837 ======================= Grid point 329 (59/81) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 9.447 7.010 7.471) 13.935 1.492 ( 11.935 -3.591 16.598) 20.756 1.682 ( 4.441 6.880 -4.052) 9.136 2.604 ( -3.369 11.196 -15.241) 19.209 2.957 ( -1.619 3.013 11.705) 12.195 3.068 ( -5.420 2.079 -8.318) 10.143 3.243 ( -2.018 -3.076 2.928) 4.702 3.292 ( -2.531 -8.240 -7.853) 11.661 3.614 ( 2.468 -2.618 8.466) 9.198 3.674 ( -1.880 -8.228 -2.068) 8.690 3.984 ( 0.029 -1.144 1.422) 1.825 4.108 ( 5.371 9.126 -1.889) 10.757 5.078 ( -0.143 5.174 6.474) 8.289 5.169 ( 7.129 0.430 0.946) 7.205 5.312 ( 4.849 8.039 -4.304) 10.327 5.477 ( 8.804 10.991 -5.299) 15.047 7.248 ( -4.183 -3.570 -0.441) 5.517 7.293 ( -2.862 -2.018 0.125) 3.505 7.502 ( 1.379 -0.635 2.082) 2.576 7.598 ( 0.211 -1.044 0.496) 1.174 7.673 ( -1.298 -1.260 2.196) 2.845 7.747 ( -1.928 -2.348 1.782) 3.523 7.839 ( -0.263 0.227 4.140) 4.154 8.017 ( -4.116 -5.089 -8.838) 10.998 8.820 ( 3.397 4.776 -0.074) 5.862 8.829 ( 3.243 3.449 -0.833) 4.807 9.407 ( -1.770 -5.041 3.308) 6.284 9.484 ( -1.366 -7.492 -0.972) 7.677 9.719 ( -1.575 3.129 -1.349) 3.754 9.755 ( -3.173 1.918 1.005) 3.841 10.376 ( -8.274 -12.169 0.173) 14.717 10.448 ( -8.554 -8.923 -0.806) 12.387 11.291 ( -3.636 -4.444 -0.218) 5.746 11.356 ( -4.206 -2.853 1.207) 5.223 11.732 ( -2.957 -1.718 3.769) 5.090 11.802 ( -2.386 -3.221 -2.573) 4.764 12.102 ( 4.739 2.531 1.299) 5.527 12.273 ( 2.020 6.660 -0.349) 6.968 12.615 ( -0.991 -2.869 -3.891) 4.935 12.721 ( -3.294 1.259 -4.089) 5.399 12.985 ( 6.306 -1.605 4.733) 8.047 13.335 ( -2.158 6.922 -4.189) 8.374 13.588 ( 4.270 1.323 4.125) 6.083 13.675 ( 11.085 3.257 -1.766) 11.688 13.880 ( 8.332 2.535 -5.620) 10.365 14.144 ( 11.753 23.477 9.720) 27.996 16.896 ( 2.375 -0.587 1.492) 2.866 17.014 ( 1.509 2.936 -0.371) 3.322 17.571 ( 1.049 -0.814 7.030) 7.154 17.794 ( 3.794 6.384 -2.591) 7.865 17.848 ( 2.535 6.609 1.076) 7.160 17.916 ( 1.006 2.177 -9.028) 9.341 20.009 ( -19.464 -25.496 6.831) 32.795 20.262 ( -11.828 -11.545 -7.116) 17.996 ======================= Grid point 330 (60/81) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 12.401 -0.704 10.370) 16.180 1.709 ( 16.452 4.609 -3.023) 17.351 1.875 ( 6.127 11.460 7.528) 15.018 2.635 ( -2.981 7.553 -10.919) 13.607 2.856 ( -8.392 0.699 6.224) 10.472 2.961 ( -7.537 -1.665 -6.923) 10.369 3.109 ( -5.096 -3.335 2.958) 6.771 3.227 ( -3.186 -3.171 -5.969) 7.472 3.488 ( -6.087 -8.754 5.459) 11.978 3.639 ( -1.320 -2.824 -2.236) 3.836 4.068 ( 11.929 -3.470 -2.528) 12.678 4.317 ( 5.805 10.929 3.028) 12.740 5.114 ( -0.329 2.630 6.403) 6.930 5.242 ( 2.329 -0.834 -5.342) 5.887 5.543 ( 12.232 8.265 2.595) 14.989 5.750 ( 9.791 11.858 -4.318) 15.973 7.154 ( -3.703 -1.846 0.969) 4.250 7.215 ( -4.434 -1.162 -1.519) 4.829 7.493 ( -0.563 -2.978 -0.087) 3.032 7.536 ( -5.458 -3.102 4.807) 7.907 7.642 ( 0.228 -1.825 2.074) 2.772 7.685 ( -0.164 -2.693 0.875) 2.836 7.867 ( -0.288 2.051 -0.726) 2.195 7.934 ( -0.872 -2.207 -6.480) 6.901 8.946 ( 6.181 6.102 1.952) 8.903 8.995 ( 7.354 7.735 -2.201) 10.898 9.317 ( -1.432 -7.790 2.618) 8.342 9.373 ( -1.717 -10.153 -0.631) 10.316 9.647 ( -11.454 1.648 1.273) 11.642 9.676 ( -8.266 4.226 -2.523) 9.621 10.179 ( -1.715 -9.338 0.025) 9.494 10.268 ( -4.193 -4.671 0.124) 6.278 11.183 ( -4.367 -3.649 1.000) 5.778 11.269 ( -3.333 -1.468 -0.160) 3.646 11.646 ( -4.422 -2.487 2.690) 5.743 11.708 ( -3.994 -3.864 -0.405) 5.572 12.216 ( 4.140 3.833 0.815) 5.701 12.333 ( 0.393 1.963 -1.291) 2.382 12.587 ( -0.240 -0.963 -3.377) 3.520 12.713 ( -0.780 3.565 -4.897) 6.107 13.086 ( 7.191 -1.678 4.975) 8.904 13.354 ( -1.651 3.731 -1.539) 4.361 13.666 ( 5.581 -1.897 6.200) 8.555 13.857 ( 5.966 4.298 0.854) 7.403 14.004 ( 9.860 -7.851 -6.904) 14.371 14.505 ( 4.918 21.893 6.386) 23.329 16.949 ( 3.730 -0.304 1.293) 3.960 17.059 ( 1.115 1.311 0.467) 1.784 17.552 ( -1.535 -1.600 8.265) 8.557 17.827 ( -5.888 -3.571 -15.112) 16.607 17.925 ( 2.650 5.318 -0.020) 5.941 17.970 ( 1.994 5.962 -0.971) 6.361 19.508 ( -12.750 -18.942 17.399) 28.707 20.017 ( -7.981 -4.689 -15.011) 17.636 ======================= Grid point 331 (61/81) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 9.730 1.170 14.703) 17.670 1.988 ( 9.477 4.984 4.235) 11.515 2.072 ( 6.964 5.324 -5.411) 10.302 2.659 ( -0.581 2.703 -5.239) 5.924 2.736 ( -7.490 3.722 2.401) 8.702 2.825 ( -6.128 -0.033 -7.937) 10.027 3.012 ( -4.413 -1.946 5.571) 7.369 3.143 ( -2.814 -2.546 -5.351) 6.559 3.327 ( -3.034 -5.662 4.228) 7.690 3.551 ( -6.516 0.062 -5.164) 8.314 4.253 ( 13.681 -5.490 -2.655) 14.979 4.476 ( 3.226 5.501 3.217) 7.142 5.117 ( -0.601 -0.115 6.162) 6.192 5.252 ( 0.624 -1.463 -5.856) 6.068 5.835 ( 12.785 5.741 3.180) 14.371 6.007 ( 7.924 8.531 -2.792) 11.974 7.093 ( -3.213 1.473 2.259) 4.194 7.132 ( -4.397 -0.055 -2.345) 4.983 7.411 ( -4.481 -2.938 4.410) 6.940 7.439 ( -2.001 -2.617 -1.844) 3.776 7.642 ( 1.011 -0.776 1.389) 1.885 7.671 ( 0.261 -1.201 -0.375) 1.285 7.869 ( 0.296 -0.577 -2.110) 2.208 7.927 ( -0.033 0.273 -2.479) 2.494 9.109 ( 5.477 2.869 2.553) 6.690 9.186 ( 4.223 3.100 -1.958) 5.593 9.209 ( -1.059 -3.524 1.248) 3.886 9.236 ( -3.003 -6.468 -1.015) 7.203 9.449 ( -11.540 1.946 2.120) 11.893 9.561 ( -9.257 5.005 -2.432) 10.801 10.120 ( 3.141 -7.212 0.035) 7.866 10.213 ( 0.509 -1.785 0.850) 2.042 11.083 ( -3.500 -2.804 1.959) 4.894 11.218 ( -2.710 1.399 -1.657) 3.471 11.553 ( -3.205 -2.648 2.347) 4.774 11.601 ( -3.944 -3.920 0.757) 5.612 12.297 ( 0.944 3.607 0.955) 3.848 12.340 ( 0.792 -1.619 -2.011) 2.700 12.589 ( 0.196 1.321 -2.493) 2.828 12.740 ( -0.953 4.033 -5.669) 7.022 13.185 ( 6.144 -1.531 4.748) 7.914 13.353 ( -0.968 0.583 0.791) 1.379 13.746 ( 7.043 -3.486 4.925) 9.274 13.965 ( 1.355 5.748 3.288) 6.759 14.064 ( 10.134 -14.517 -5.172) 18.445 14.739 ( -0.804 19.366 0.362) 19.386 16.978 ( 0.624 -2.489 0.183) 2.573 17.090 ( 1.787 0.939 0.303) 2.041 17.504 ( -2.994 -1.145 3.878) 5.031 17.633 ( -7.668 -6.854 -11.701) 15.579 18.003 ( 0.607 4.297 -0.618) 4.384 18.060 ( 0.561 7.204 0.416) 7.237 19.229 ( -2.741 -12.653 23.228) 26.592 19.888 ( -4.554 -0.891 -18.552) 19.124 ======================= Grid point 332 (62/81) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.666 4.712 19.823) 20.387 2.128 ( 3.592 2.446 14.156) 14.808 2.183 ( 5.326 -5.032 -21.284) 22.509 2.627 ( -2.776 0.727 5.950) 6.606 2.725 ( -0.707 4.164 -6.308) 7.591 2.779 ( -2.481 4.141 -7.109) 8.593 2.908 ( -4.217 -1.914 6.331) 7.843 3.090 ( -1.794 -0.050 -4.669) 5.002 3.297 ( 1.107 0.326 1.233) 1.689 3.451 ( -4.704 0.600 -6.315) 7.897 4.389 ( 8.749 -6.755 -1.884) 11.213 4.537 ( 1.205 0.124 2.433) 2.717 5.101 ( 0.122 -1.574 5.935) 6.141 5.246 ( 0.474 -1.354 -5.435) 5.621 6.038 ( 6.752 0.256 1.954) 7.034 6.152 ( 2.735 2.375 -0.857) 3.722 7.071 ( -2.484 3.213 0.680) 4.118 7.078 ( -3.231 2.751 -0.238) 4.251 7.343 ( -1.357 -0.783 4.013) 4.308 7.398 ( -0.620 -0.872 -3.365) 3.531 7.655 ( 0.373 0.548 1.266) 1.429 7.666 ( 0.397 -1.069 -1.262) 1.700 7.868 ( 0.799 -1.465 -1.959) 2.573 7.926 ( -0.392 0.390 -0.855) 1.019 9.070 ( -2.925 -2.833 0.710) 4.134 9.081 ( -2.588 -3.890 -1.018) 4.782 9.262 ( 1.331 2.305 2.020) 3.342 9.322 ( 1.638 4.372 -2.047) 5.098 9.347 ( -3.036 2.524 2.470) 4.657 9.488 ( -5.139 5.076 -1.557) 7.389 10.117 ( 4.122 -6.847 0.485) 8.007 10.219 ( 1.269 -1.383 1.127) 2.190 11.020 ( -1.187 -1.499 2.067) 2.816 11.201 ( -3.200 4.982 -2.526) 6.437 11.498 ( -0.459 -1.982 2.183) 2.984 11.516 ( -0.848 -3.952 1.533) 4.323 12.318 ( 2.655 -4.539 -3.681) 6.419 12.343 ( -2.249 4.596 3.286) 6.081 12.607 ( -1.046 3.088 -1.086) 3.437 12.754 ( -1.426 3.096 -7.584) 8.315 13.256 ( 3.964 -1.872 3.713) 5.745 13.335 ( -0.448 -1.386 2.826) 3.179 13.821 ( 5.671 -4.460 1.411) 7.352 14.019 ( -1.528 5.448 5.764) 8.077 14.070 ( 9.834 -17.860 -2.271) 20.515 14.856 ( -5.803 16.137 -4.738) 17.791 16.951 ( 1.098 -4.073 -3.089) 5.228 17.114 ( -1.747 3.235 -0.461) 3.705 17.409 ( -0.701 -6.568 -2.945) 7.232 17.541 ( -1.811 1.251 1.000) 2.418 18.033 ( -0.735 2.591 -1.588) 3.126 18.116 ( -2.676 7.632 1.506) 8.227 19.133 ( 3.326 -9.829 23.454) 25.647 19.835 ( -2.076 1.021 -19.276) 19.414 ======================= Grid point 341 (63/81) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 4.653 8.060 5.312) 10.716 1.585 ( 6.152 10.656 5.054) 13.302 1.894 ( 7.595 13.155 5.569) 16.179 2.682 ( -0.440 -0.763 -3.862) 3.962 2.931 ( -2.528 -4.378 7.027) 8.657 3.108 ( -1.684 -2.916 -17.461) 17.782 3.134 ( -2.713 -4.699 0.334) 5.436 3.217 ( -0.650 -1.125 -2.517) 2.833 3.489 ( -5.609 -9.715 2.933) 11.595 3.590 ( 0.764 1.323 1.218) 1.954 3.955 ( -0.623 -1.080 -1.093) 1.658 4.319 ( 6.014 10.417 3.632) 12.565 5.160 ( 0.478 0.828 1.982) 2.201 5.181 ( 1.286 2.227 0.849) 2.708 5.484 ( 6.079 10.529 -1.010) 12.200 5.724 ( 7.843 13.585 -3.586) 16.091 7.176 ( -1.787 -3.095 -1.394) 3.836 7.256 ( -1.333 -2.308 0.787) 2.779 7.480 ( -1.003 -1.737 -1.567) 2.545 7.562 ( -1.914 -3.316 5.401) 6.620 7.642 ( -2.784 -4.823 2.831) 6.247 7.662 ( -0.220 -0.381 2.321) 2.362 7.887 ( 1.436 2.487 -0.839) 2.992 7.924 ( -2.308 -3.998 -7.209) 8.561 8.924 ( 4.051 7.016 1.697) 8.277 8.971 ( 5.395 9.345 -2.158) 11.004 9.291 ( -3.507 -6.074 1.581) 7.190 9.333 ( -4.427 -7.667 0.499) 8.868 9.767 ( 0.720 1.247 -2.397) 2.797 9.774 ( -0.528 -0.915 0.929) 1.407 10.136 ( -6.697 -11.599 0.463) 13.402 10.279 ( -4.604 -7.975 0.101) 9.209 11.209 ( -2.331 -4.037 -0.743) 4.720 11.283 ( -2.362 -4.092 1.973) 5.120 11.697 ( -1.358 -2.353 3.440) 4.383 11.709 ( -3.273 -5.669 -0.827) 6.598 12.198 ( 3.943 6.829 -0.183) 7.888 12.340 ( -0.077 -0.134 0.473) 0.497 12.591 ( 0.165 0.287 -4.933) 4.945 12.737 ( 0.649 1.124 -7.463) 7.575 13.004 ( 1.839 3.186 5.711) 6.793 13.400 ( -0.019 -0.033 -1.641) 1.641 13.607 ( 0.146 0.252 9.669) 9.674 13.736 ( 2.335 4.044 -5.107) 6.920 13.948 ( 2.267 3.926 -3.448) 5.696 14.572 ( 11.166 19.340 8.652) 23.949 16.913 ( 1.314 2.275 1.198) 2.887 17.055 ( 0.431 0.746 1.407) 1.650 17.553 ( -0.574 -0.995 7.598) 7.684 17.862 ( -3.300 -5.716 -15.801) 17.124 17.930 ( 4.281 7.415 -0.929) 8.612 17.987 ( 3.093 5.356 -0.845) 6.243 19.524 ( -13.094 -22.680 15.891) 30.633 20.063 ( -4.929 -8.538 -13.447) 16.674 ======================= Grid point 342 (64/81) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 7.859 4.876 6.420) 11.259 1.827 ( 10.724 6.899 -6.304) 14.225 2.136 ( 4.202 13.707 10.807) 17.954 2.657 ( -0.009 -1.820 -1.529) 2.377 2.827 ( -4.404 -3.351 4.247) 6.976 3.017 ( -8.363 4.346 -12.443) 15.610 3.049 ( -2.681 -2.539 1.859) 4.134 3.161 ( -2.559 -3.844 -2.971) 5.491 3.319 ( -3.607 -7.571 4.645) 9.587 3.639 ( -1.296 3.381 -4.216) 5.557 3.985 ( 8.780 -4.940 -2.675) 10.424 4.465 ( 2.837 3.743 4.591) 6.567 5.137 ( -2.152 -0.773 2.480) 3.373 5.214 ( 1.574 -1.581 -3.330) 4.008 5.719 ( 9.140 9.487 2.953) 13.501 5.971 ( 6.882 9.986 -3.064) 12.509 7.141 ( -1.045 0.980 0.154) 1.441 7.205 ( -2.994 -0.006 -0.974) 3.149 7.431 ( -1.904 -3.294 -3.817) 5.390 7.458 ( -3.809 -4.551 6.465) 8.776 7.609 ( 1.084 -0.850 1.178) 1.812 7.660 ( 0.228 -0.310 1.788) 1.829 7.866 ( -1.096 -1.654 -4.784) 5.179 7.923 ( 0.718 0.536 -0.880) 1.256 9.062 ( 3.691 3.777 2.756) 5.957 9.162 ( 4.567 6.875 -2.715) 8.689 9.193 ( -1.639 -3.531 0.761) 3.966 9.212 ( -0.112 -2.489 0.409) 2.525 9.672 ( -11.305 0.502 1.175) 11.377 9.746 ( -5.786 2.261 -2.092) 6.555 9.981 ( 1.857 -10.493 0.555) 10.670 10.166 ( -0.285 -5.742 0.560) 5.777 11.129 ( -3.884 -1.728 0.442) 4.274 11.226 ( 0.118 -2.693 0.553) 2.752 11.588 ( -4.053 -4.896 0.552) 6.379 11.639 ( -3.629 -1.988 2.348) 4.758 12.294 ( -1.456 -3.759 -0.081) 4.032 12.341 ( 3.406 7.798 -0.217) 8.512 12.612 ( 0.299 3.019 -5.152) 5.979 12.773 ( 0.968 2.455 -7.811) 8.244 13.083 ( 4.468 1.095 6.040) 7.593 13.361 ( -1.674 -3.470 2.355) 4.515 13.617 ( 3.064 -2.844 8.339) 9.328 13.802 ( 4.938 -4.761 -4.710) 8.321 14.026 ( 1.612 5.495 -0.384) 5.740 14.877 ( 4.819 15.648 2.033) 16.499 16.965 ( 0.715 1.771 0.454) 1.963 17.045 ( 1.221 -2.505 1.837) 3.338 17.534 ( -1.151 -0.442 5.507) 5.643 17.681 ( -7.439 -9.956 -16.313) 20.508 18.060 ( 0.650 7.598 -0.490) 7.642 18.096 ( 3.898 6.891 -0.491) 7.932 19.169 ( -6.801 -15.386 22.471) 28.071 19.932 ( -3.557 -4.069 -16.759) 17.609 ======================= Grid point 343 (65/81) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 7.311 0.361 7.351) 10.374 2.020 ( 7.660 -1.227 -15.430) 17.270 2.271 ( -2.890 11.898 13.669) 18.351 2.663 ( 1.667 -0.234 -0.943) 1.930 2.750 ( -2.574 1.615 4.354) 5.310 2.923 ( -7.156 4.377 -6.233) 10.451 2.974 ( -4.881 -1.711 3.227) 6.097 3.102 ( -0.804 -2.096 -2.644) 3.468 3.275 ( 2.552 1.591 0.194) 3.014 3.579 ( -8.229 2.676 -4.799) 9.895 4.125 ( 13.102 -7.850 -3.012) 15.568 4.498 ( 1.115 -2.691 3.848) 4.826 5.086 ( -1.243 -2.925 3.111) 4.447 5.215 ( 0.924 -2.057 -4.098) 4.678 5.934 ( 7.446 4.418 2.999) 9.162 6.124 ( 3.357 3.207 -1.683) 4.938 7.141 ( -2.628 3.174 -1.868) 4.525 7.172 ( -2.251 3.660 1.725) 4.630 7.357 ( -2.026 -2.207 3.411) 4.540 7.396 ( -0.500 -2.015 -3.744) 4.281 7.634 ( 1.409 0.451 0.317) 1.513 7.665 ( 0.368 0.446 1.295) 1.418 7.845 ( 0.182 -1.536 -3.464) 3.793 7.928 ( -0.013 -0.423 0.434) 0.606 9.076 ( -0.644 -1.460 0.467) 1.662 9.086 ( -2.129 -3.686 0.085) 4.257 9.281 ( 1.719 5.620 1.932) 6.187 9.337 ( 3.393 7.088 -2.250) 8.174 9.476 ( -9.980 0.889 1.946) 10.206 9.646 ( -7.598 3.108 -1.363) 8.321 9.955 ( 5.146 -9.080 0.908) 10.477 10.146 ( 3.190 -5.108 0.690) 6.062 11.057 ( -3.516 0.329 1.686) 3.914 11.237 ( 2.342 0.330 -1.723) 2.926 11.485 ( -1.964 -5.963 1.380) 6.428 11.547 ( -5.311 -0.124 1.381) 5.489 12.236 ( 0.194 -4.894 -0.229) 4.903 12.452 ( -1.065 9.865 1.114) 9.985 12.656 ( 0.160 4.477 -4.574) 6.403 12.800 ( -0.549 2.017 -7.206) 7.503 13.162 ( 4.721 -1.228 5.393) 7.272 13.299 ( 0.601 -6.765 4.765) 8.296 13.660 ( 6.372 -4.730 4.430) 9.088 13.799 ( 3.538 -10.264 -3.777) 11.495 14.101 ( -0.009 6.209 3.404) 7.081 15.044 ( -0.500 11.593 -5.706) 12.931 16.930 ( -2.280 -2.081 -1.253) 3.332 17.094 ( 4.473 -1.103 0.788) 4.674 17.430 ( -7.158 -4.639 -6.060) 10.463 17.553 ( -0.237 -1.811 0.478) 1.888 18.113 ( -2.212 7.058 -0.477) 7.412 18.220 ( 0.747 8.673 0.762) 8.739 18.985 ( 0.479 -12.473 22.492) 25.724 19.859 ( -1.654 -2.037 -17.383) 17.580 ======================= Grid point 344 (66/81) ======================= q-point: ( 0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 2.640 -4.572 8.708) 10.183 2.065 ( 3.718 -6.440 -20.509) 21.816 2.300 ( -6.195 10.731 14.660) 19.195 2.673 ( -1.325 2.296 1.538) 3.065 2.774 ( -1.357 2.351 5.524) 6.155 2.861 ( -2.469 4.277 -7.352) 8.857 2.912 ( -0.949 1.645 4.151) 4.564 3.087 ( 0.520 -0.900 -1.982) 2.238 3.355 ( -2.759 4.778 -1.284) 5.665 3.479 ( -1.889 3.271 -5.622) 6.773 4.210 ( 6.887 -11.929 -2.788) 14.054 4.484 ( 2.521 -4.367 3.250) 5.999 5.058 ( 1.393 -2.413 3.346) 4.354 5.212 ( 1.099 -1.903 -3.836) 4.421 6.026 ( 0.595 -1.031 2.032) 2.355 6.160 ( 0.595 -1.030 -0.309) 1.229 7.128 ( -2.266 3.925 -3.637) 5.811 7.177 ( -2.761 4.783 3.701) 6.648 7.333 ( 0.187 -0.324 4.160) 4.177 7.385 ( 0.506 -0.876 -5.469) 5.562 7.647 ( 0.058 -0.100 -0.413) 0.428 7.675 ( -0.566 0.980 0.941) 1.472 7.839 ( 0.840 -1.454 -2.789) 3.256 7.923 ( 0.324 -0.561 1.038) 1.223 9.042 ( 0.153 -0.265 -1.151) 1.191 9.071 ( -1.356 2.349 0.830) 2.836 9.298 ( -1.357 2.351 1.700) 3.203 9.402 ( -1.966 3.405 -1.715) 4.290 9.416 ( -2.226 3.856 2.235) 4.982 9.592 ( -2.952 5.113 -0.897) 5.972 9.956 ( 5.183 -8.978 1.189) 10.435 10.150 ( 3.135 -5.430 0.792) 6.319 11.027 ( -1.290 2.234 2.054) 3.297 11.278 ( -0.810 1.402 -4.058) 4.369 11.422 ( 3.034 -5.255 3.129) 6.827 11.497 ( -1.334 2.311 0.858) 2.803 12.214 ( 2.300 -3.984 -0.123) 4.602 12.491 ( -5.454 9.447 2.140) 11.117 12.684 ( -2.261 3.916 -3.644) 5.808 12.801 ( -1.007 1.745 -7.594) 7.857 13.204 ( 2.277 -3.943 3.935) 6.018 13.264 ( 3.635 -6.296 6.492) 9.747 13.724 ( 3.293 -5.704 1.600) 6.778 13.745 ( 7.142 -12.370 -2.421) 14.487 14.133 ( -2.907 5.034 4.997) 7.666 15.095 ( -4.823 8.354 -9.313) 13.408 16.897 ( 0.629 -1.089 -2.954) 3.211 17.130 ( 1.873 -3.244 0.557) 3.787 17.338 ( -0.592 1.026 -3.099) 3.318 17.546 ( 0.448 -0.776 1.433) 1.690 18.128 ( -3.992 6.914 -0.099) 7.985 18.270 ( -4.298 7.444 1.206) 8.680 18.930 ( 6.207 -10.751 21.376) 24.720 19.835 ( 0.448 -0.776 -17.284) 17.307 ======================= Grid point 351 (67/81) ======================= q-point: (-0.08 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -6.007 10.404 12.791) 17.549 1.822 ( 0.819 -1.418 -23.290) 23.347 1.983 ( -8.832 15.297 25.749) 31.225 2.000 ( 4.236 -7.336 -28.286) 29.527 2.450 ( -7.854 13.604 30.310) 34.139 3.131 ( -1.946 3.371 -11.407) 12.053 3.315 ( 6.880 -11.916 11.888) 18.184 3.503 ( 4.824 -8.355 -6.779) 11.791 3.738 ( 1.008 -1.746 -1.838) 2.728 3.795 ( -7.665 13.276 -3.866) 15.810 3.946 ( 5.467 -9.469 -1.570) 11.046 4.042 ( 0.886 -1.534 2.897) 3.395 4.983 ( -2.053 3.555 7.869) 8.876 5.071 ( -2.229 3.861 4.419) 6.278 5.183 ( -4.030 6.981 -7.144) 10.771 5.242 ( -5.139 8.901 -6.305) 12.058 7.282 ( 2.671 -4.626 3.563) 6.421 7.399 ( 2.152 -3.728 -0.816) 4.381 7.547 ( -1.808 3.132 1.048) 3.765 7.554 ( -0.017 0.029 -3.081) 3.081 7.657 ( -1.919 3.324 1.783) 4.232 7.743 ( -0.475 0.823 -1.674) 1.925 7.940 ( 2.834 -4.909 8.908) 10.559 8.140 ( 3.741 -6.479 -9.857) 12.375 8.760 ( 1.121 -1.942 3.827) 4.435 8.836 ( 2.267 -3.927 -2.652) 5.253 9.468 ( 0.645 -1.117 5.344) 5.497 9.531 ( 1.675 -2.902 -1.368) 3.620 9.712 ( -0.490 0.848 -1.217) 1.562 9.759 ( -1.977 3.424 -1.369) 4.184 10.668 ( 6.678 -11.567 0.598) 13.370 10.678 ( 8.201 -14.205 -2.079) 16.534 11.389 ( 3.070 -5.317 0.067) 6.140 11.448 ( 1.562 -2.705 0.407) 3.150 11.740 ( -1.581 2.738 2.653) 4.128 11.840 ( -1.893 3.279 -2.994) 4.827 12.065 ( -0.154 0.268 1.234) 1.272 12.118 ( -1.847 3.199 2.256) 4.328 12.662 ( 3.717 -6.437 -1.878) 7.667 12.765 ( 1.860 -3.221 -0.813) 3.807 13.023 ( -0.566 0.981 -4.316) 4.462 13.109 ( -4.302 7.452 7.285) 11.274 13.389 ( -4.617 7.998 1.669) 9.384 13.515 ( -4.462 7.729 0.606) 8.945 13.632 ( -6.664 11.543 0.217) 13.330 13.915 ( -16.463 28.514 -14.155) 35.839 16.936 ( 0.145 -0.251 -2.739) 2.754 16.948 ( -1.619 2.805 0.514) 3.279 17.558 ( -3.061 5.302 3.163) 6.891 17.667 ( -1.050 1.819 9.164) 9.402 17.688 ( -2.944 5.099 -5.675) 8.178 17.770 ( -2.969 5.142 -1.235) 6.064 20.582 ( 12.834 -22.229 0.693) 25.677 20.616 ( 13.973 -24.202 1.014) 27.964 ======================= Grid point 355 (68/81) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 2.451 4.246 1.333) 5.081 1.942 ( 2.203 3.816 -10.630) 11.507 2.368 ( 5.427 9.399 12.468) 16.530 2.627 ( -0.191 -0.331 -1.070) 1.136 2.794 ( 0.212 0.367 3.582) 3.607 2.995 ( -1.918 -3.321 4.990) 6.293 3.056 ( -0.656 -1.136 -6.784) 6.910 3.076 ( -2.414 -4.182 -2.549) 5.460 3.256 ( 1.683 2.916 -0.125) 3.369 3.734 ( 1.788 3.096 -4.803) 5.987 3.891 ( -1.687 -2.921 -2.585) 4.250 4.471 ( -1.374 -2.380 4.728) 5.469 5.085 ( -2.177 -3.770 0.935) 4.453 5.192 ( -0.468 -0.810 -2.756) 2.911 5.891 ( 4.500 7.793 3.468) 9.644 6.110 ( 2.337 4.048 -2.156) 5.147 7.190 ( 1.951 3.379 2.073) 4.418 7.207 ( 0.019 0.033 -2.602) 2.602 7.373 ( -1.538 -2.664 -7.006) 7.652 7.377 ( -1.777 -3.078 6.215) 7.159 7.626 ( 1.384 2.397 1.721) 3.259 7.661 ( 0.233 0.404 0.862) 0.980 7.835 ( -0.789 -1.366 -4.233) 4.517 7.925 ( -0.240 -0.416 1.068) 1.171 9.072 ( 0.246 0.425 1.253) 1.345 9.085 ( -1.952 -3.381 -0.290) 3.915 9.295 ( 3.770 6.530 2.020) 7.806 9.343 ( 4.510 7.811 -2.440) 9.343 9.645 ( -3.182 -5.511 1.036) 6.447 9.689 ( -3.885 -6.728 0.238) 7.773 9.857 ( -0.680 -1.177 0.266) 1.385 10.066 ( -2.175 -3.767 0.366) 4.366 11.112 ( -0.316 -0.547 0.766) 0.993 11.189 ( -0.054 -0.094 0.780) 0.788 11.471 ( -3.703 -6.414 1.177) 7.499 11.603 ( -1.417 -2.454 -1.082) 3.034 12.217 ( -1.739 -3.012 2.388) 4.219 12.523 ( 5.585 9.673 0.065) 11.169 12.679 ( 2.069 3.583 -5.944) 7.242 12.807 ( 0.638 1.105 -9.029) 9.118 13.108 ( 0.552 0.956 6.672) 6.763 13.235 ( -4.571 -7.916 6.076) 10.976 13.589 ( -0.059 -0.103 5.144) 5.145 13.721 ( -2.400 -4.156 -4.312) 6.452 14.132 ( 2.862 4.958 3.795) 6.868 15.103 ( 4.465 7.734 -6.310) 10.934 16.967 ( -1.888 -3.270 1.079) 3.927 17.016 ( 0.769 1.332 -0.984) 1.827 17.493 ( -4.414 -7.646 -9.971) 13.318 17.528 ( -0.419 -0.725 3.569) 3.666 18.189 ( 3.248 5.626 0.049) 6.496 18.246 ( 4.569 7.914 0.268) 9.142 18.913 ( -6.418 -11.117 22.121) 25.575 19.861 ( -1.775 -3.075 -16.523) 16.901 ======================= Grid point 356 (69/81) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 2.456 0.040 -0.828) 2.592 1.963 ( 1.380 -3.976 -13.990) 14.609 2.480 ( -2.557 9.052 11.100) 14.550 2.656 ( 2.913 -0.824 0.984) 3.184 2.835 ( 0.451 6.165 4.051) 7.391 2.938 ( -1.507 -1.015 5.844) 6.120 2.962 ( -6.163 -0.114 -4.840) 7.837 3.047 ( 1.497 -3.712 -0.550) 4.040 3.409 ( 5.733 11.346 -3.826) 13.275 3.640 ( -12.926 3.071 -3.977) 13.868 3.936 ( 10.916 -11.767 -3.159) 16.359 4.411 ( -0.163 -4.972 4.404) 6.644 5.024 ( -0.580 -2.844 0.955) 3.055 5.181 ( 0.410 -1.286 -2.031) 2.438 6.011 ( 2.592 3.662 2.399) 5.088 6.136 ( 0.163 -1.590 -0.531) 1.684 7.203 ( -1.767 2.953 -3.725) 5.071 7.241 ( -0.419 2.641 2.717) 3.812 7.330 ( -0.595 -0.631 2.511) 2.656 7.354 ( 1.100 -2.247 -3.898) 4.632 7.664 ( -0.459 2.223 0.126) 2.274 7.685 ( 1.145 1.437 0.315) 1.864 7.815 ( 0.134 -1.428 -3.622) 3.896 7.912 ( -0.124 -1.003 2.615) 2.804 9.051 ( -0.670 0.132 -1.064) 1.264 9.119 ( 1.113 5.034 0.943) 5.241 9.371 ( -2.942 3.168 1.324) 4.521 9.446 ( 0.752 3.434 -1.292) 3.745 9.492 ( -4.744 1.001 1.894) 5.205 9.617 ( 1.575 -7.365 0.136) 7.532 9.850 ( -0.351 0.360 1.172) 1.275 10.029 ( 3.083 -6.423 0.339) 7.132 11.097 ( -2.821 3.696 2.244) 5.163 11.237 ( 5.006 -0.042 -0.092) 5.007 11.352 ( -2.441 -7.091 1.672) 7.683 11.552 ( -2.300 -0.034 -5.181) 5.669 12.184 ( -0.523 -0.308 5.186) 5.221 12.675 ( -1.674 12.299 0.458) 12.421 12.740 ( 0.212 3.923 -6.031) 7.198 12.819 ( 0.218 0.040 -7.587) 7.590 13.109 ( 2.046 -5.770 6.227) 8.732 13.115 ( 1.911 -9.179 5.499) 10.869 13.600 ( 2.064 -1.467 1.494) 2.940 13.646 ( -0.286 -5.693 -1.317) 5.850 14.203 ( 0.032 3.982 6.264) 7.423 15.193 ( -0.143 4.229 -12.955) 13.629 16.911 ( -2.230 0.374 -1.134) 2.530 17.032 ( 2.855 -4.641 -0.894) 5.521 17.402 ( -3.040 1.613 -2.467) 4.234 17.516 ( 0.829 -2.430 1.411) 2.929 18.275 ( -2.308 9.441 2.122) 9.948 18.370 ( 1.201 6.115 0.482) 6.250 18.745 ( 0.783 -12.160 19.385) 22.897 19.818 ( -0.329 -1.895 -15.747) 15.864 ======================= Grid point 362 (70/81) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -10.846 14.968 -6.149) 19.480 1.757 ( 5.536 8.147 -16.257) 19.008 2.009 ( -12.704 -10.478 -22.094) 27.556 2.178 ( 4.784 21.459 22.661) 31.573 2.723 ( -11.754 -1.169 20.461) 23.626 3.081 ( 5.615 -2.748 2.589) 6.766 3.146 ( 2.635 -6.957 7.325) 10.440 3.347 ( 4.309 -5.845 -7.233) 10.249 3.667 ( 4.334 -2.714 -2.360) 5.632 3.753 ( 4.766 -9.181 -2.312) 10.599 3.997 ( -0.015 -3.057 0.581) 3.112 4.117 ( -9.200 15.923 -3.575) 18.734 5.052 ( -1.412 3.685 7.948) 8.874 5.160 ( -4.983 0.861 0.971) 5.149 5.347 ( -6.714 9.952 -4.040) 12.667 5.446 ( -8.219 9.091 -4.272) 12.979 7.195 ( 2.539 -4.031 2.835) 5.544 7.317 ( 3.795 -2.730 -0.608) 4.714 7.533 ( 1.193 -2.090 -0.071) 2.407 7.607 ( -1.014 1.780 -0.703) 2.165 7.706 ( -1.529 0.531 -0.506) 1.696 7.726 ( 2.175 -0.714 2.183) 3.163 7.846 ( 2.795 -2.871 5.930) 7.157 8.011 ( 3.966 -5.262 -9.496) 11.558 8.815 ( -4.677 5.462 0.300) 7.197 8.827 ( -2.227 2.637 -0.579) 3.500 9.429 ( 1.444 -3.682 3.791) 5.479 9.463 ( 0.773 -7.145 -1.677) 7.380 9.698 ( 2.826 0.386 0.585) 2.911 9.774 ( 3.494 2.056 -0.598) 4.098 10.400 ( 8.700 -11.901 -1.847) 14.857 10.442 ( 8.011 -8.045 -0.327) 11.358 11.280 ( 3.666 -4.931 0.951) 6.218 11.369 ( 4.491 -2.176 -0.103) 4.992 11.739 ( 2.387 -1.331 2.773) 3.893 11.825 ( 2.540 -1.727 -4.000) 5.044 12.123 ( -4.991 1.525 -0.464) 5.240 12.222 ( -2.053 6.655 3.843) 7.955 12.575 ( -0.014 -4.471 -0.916) 4.564 12.683 ( 3.173 -2.346 -0.372) 3.964 13.088 ( -5.890 -0.527 -4.639) 7.516 13.216 ( -0.451 7.297 6.878) 10.038 13.567 ( -8.545 2.581 3.609) 9.628 13.692 ( -8.736 6.348 -1.561) 10.911 13.818 ( -5.477 4.819 0.532) 7.315 14.372 ( -7.579 22.055 -10.595) 25.614 16.948 ( -1.830 0.042 -2.988) 3.504 17.013 ( -1.429 4.602 -0.103) 4.820 17.632 ( 2.933 -1.778 12.122) 12.598 17.700 ( -5.830 2.568 -0.994) 6.447 17.786 ( -3.102 4.720 -2.719) 6.268 17.879 ( -4.011 3.192 -0.807) 5.189 20.107 ( 18.968 -19.330 7.146) 28.009 20.174 ( 11.789 -16.553 -8.192) 21.911 ======================= Grid point 368 (71/81) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -1.112 -1.926 -8.397) 8.686 1.897 ( 1.112 1.926 -8.397) 8.686 2.610 ( -2.163 -3.747 6.175) 7.539 2.610 ( 2.163 3.747 6.175) 7.539 2.927 ( 0.000 0.000 6.736) 6.736 2.954 ( -2.259 -3.912 3.932) 5.989 2.954 ( 2.259 3.912 3.932) 5.989 2.962 ( 0.000 0.000 -10.669) 10.669 3.660 ( -4.377 -7.580 -4.470) 9.828 3.660 ( 4.377 7.580 -4.470) 9.828 3.700 ( -0.000 -0.000 -2.247) 2.247 4.354 ( -0.000 -0.000 4.881) 4.881 4.994 ( -0.000 -0.000 0.160) 0.160 5.168 ( -0.000 -0.000 -0.915) 0.915 6.081 ( -1.757 -3.043 0.982) 3.649 6.081 ( 1.757 3.043 0.982) 3.649 7.251 ( -0.803 -1.392 -2.833) 3.257 7.251 ( 0.803 1.392 -2.833) 3.257 7.327 ( -0.076 -0.131 1.548) 1.556 7.327 ( 0.076 0.131 1.548) 1.556 7.698 ( -0.346 -0.600 -0.544) 0.881 7.698 ( 0.346 0.600 -0.544) 0.881 7.798 ( -0.000 -0.000 -3.761) 3.761 7.899 ( -0.000 -0.000 3.917) 3.917 9.060 ( -0.000 -0.000 -1.363) 1.363 9.203 ( -0.000 -0.000 0.853) 0.853 9.428 ( -2.177 -3.771 0.585) 4.393 9.428 ( 2.177 3.771 0.585) 4.393 9.510 ( -0.450 -0.780 1.057) 1.388 9.510 ( 0.450 0.780 1.057) 1.388 9.914 ( -2.511 -4.349 0.578) 5.055 9.914 ( 2.511 4.349 0.578) 5.055 11.167 ( -0.000 -0.000 4.040) 4.040 11.244 ( -0.946 -1.639 0.771) 2.044 11.244 ( 0.946 1.639 0.771) 2.044 11.548 ( 0.000 0.000 -9.436) 9.436 12.192 ( -0.000 -0.000 8.428) 8.428 12.796 ( -0.965 -1.671 -7.745) 7.982 12.796 ( 0.965 1.671 -7.745) 7.982 12.869 ( -0.000 -0.000 0.370) 0.370 12.999 ( -0.072 -0.125 5.873) 5.874 12.999 ( 0.072 0.125 5.873) 5.874 13.588 ( -0.072 -0.124 0.717) 0.731 13.588 ( 0.072 0.124 0.717) 0.731 14.244 ( -0.000 -0.000 7.255) 7.255 15.230 ( -0.000 -0.000 -16.035) 16.035 16.949 ( -1.691 -2.929 -1.014) 3.531 16.949 ( 1.691 2.929 -1.014) 3.531 17.458 ( -1.684 -2.916 0.096) 3.369 17.458 ( 1.684 2.916 0.096) 3.369 18.433 ( -0.238 -0.412 0.181) 0.509 18.433 ( 0.238 0.412 0.181) 0.509 18.560 ( -0.000 -0.000 21.342) 21.342 19.797 ( -0.000 -0.000 -14.966) 14.966 ======================= Grid point 375 (72/81) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -0.573 2.771 -3.956) 4.864 1.977 ( -12.852 11.791 -14.825) 22.890 2.160 ( -10.685 -0.343 -14.330) 17.879 2.283 ( 4.828 17.818 17.188) 25.224 2.752 ( 1.731 -5.484 10.986) 12.400 2.966 ( 4.336 -3.648 1.647) 5.901 3.040 ( 3.887 -3.200 4.541) 6.780 3.263 ( 2.383 -2.232 -5.970) 6.804 3.552 ( 5.499 -3.600 4.196) 7.798 3.589 ( 5.118 -7.634 -3.766) 9.933 4.042 ( -9.812 -3.925 0.250) 10.571 4.374 ( -5.339 11.050 -1.792) 12.402 5.095 ( -0.357 2.004 7.519) 7.790 5.228 ( -2.841 -1.090 -3.892) 4.940 5.612 ( -12.020 10.674 -0.793) 16.095 5.690 ( -9.755 9.659 -1.550) 13.815 7.118 ( 3.036 -2.235 2.747) 4.664 7.227 ( 3.865 -1.752 -1.245) 4.422 7.459 ( 2.946 -5.310 2.726) 6.657 7.597 ( 4.298 0.876 -0.231) 4.393 7.664 ( 1.944 -2.432 0.816) 3.219 7.724 ( 0.055 -0.206 -2.451) 2.461 7.816 ( -1.196 -0.783 2.701) 3.056 7.931 ( 1.022 -1.873 -5.993) 6.362 8.947 ( -6.215 6.293 2.083) 9.086 8.991 ( -7.516 7.495 -2.040) 10.809 9.341 ( 2.143 -8.371 1.885) 8.844 9.368 ( 0.921 -9.254 -1.500) 9.420 9.616 ( 8.723 2.932 2.293) 9.484 9.674 ( 10.545 1.877 -0.899) 10.748 10.194 ( 2.986 -8.761 -1.184) 9.331 10.275 ( 3.850 -4.452 -0.499) 5.907 11.178 ( 3.437 -3.405 1.529) 5.074 11.269 ( 4.863 -1.712 -0.324) 5.166 11.660 ( 4.166 -2.348 1.286) 4.952 11.747 ( 4.548 -1.611 -3.316) 5.855 12.231 ( -5.008 2.159 -0.233) 5.459 12.277 ( 0.772 2.310 3.101) 3.943 12.563 ( -2.040 -2.502 -1.315) 3.486 12.652 ( -1.238 -0.092 0.559) 1.362 13.184 ( -5.533 -0.492 -3.849) 6.758 13.281 ( -0.005 5.521 5.106) 7.521 13.708 ( -6.877 -0.160 2.650) 7.371 13.880 ( -0.889 8.184 0.780) 8.269 13.944 ( -13.906 -5.548 -3.696) 15.422 14.607 ( 1.016 16.178 -2.332) 16.377 16.992 ( -2.914 -0.216 -2.213) 3.666 17.069 ( -0.232 3.310 -0.350) 3.336 17.519 ( 4.272 -6.026 12.419) 14.450 17.759 ( 0.558 -2.706 -10.642) 10.995 17.913 ( -5.008 6.359 1.076) 8.165 17.954 ( -1.412 4.012 0.219) 4.259 19.672 ( 14.556 -9.525 16.781) 24.170 19.882 ( 6.346 -12.288 -17.053) 21.956 ======================= Grid point 376 (73/81) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -4.636 8.030 -15.485) 18.049 1.809 ( 0.919 -1.591 -14.269) 14.387 2.091 ( -9.836 17.037 -11.653) 22.865 2.468 ( -4.161 7.208 14.652) 16.851 2.709 ( -0.128 0.223 18.922) 18.924 2.967 ( 4.546 -7.873 6.093) 10.945 3.091 ( 0.080 -0.138 4.983) 4.986 3.249 ( 1.983 -3.434 -7.519) 8.501 3.577 ( 3.763 -6.517 -5.940) 9.587 3.592 ( 3.362 -5.824 1.226) 6.836 3.939 ( 1.144 -1.981 0.687) 2.388 4.382 ( -5.865 10.158 -1.432) 11.816 5.117 ( -1.209 2.094 4.837) 5.408 5.178 ( -0.490 0.848 0.818) 1.276 5.559 ( -7.110 12.314 -6.195) 15.510 5.659 ( -7.037 12.188 1.766) 14.184 7.135 ( 1.111 -1.925 1.900) 2.923 7.252 ( 2.158 -3.738 1.024) 4.436 7.457 ( 2.926 -5.068 1.264) 5.987 7.637 ( -0.234 0.406 -2.325) 2.372 7.687 ( 1.957 -3.390 0.846) 4.004 7.705 ( 0.297 -0.515 -0.521) 0.791 7.804 ( 0.781 -1.353 2.439) 2.896 7.930 ( 1.262 -2.186 -5.795) 6.321 8.926 ( -4.258 7.375 1.929) 8.732 8.963 ( -5.286 9.156 -1.899) 10.741 9.318 ( 4.067 -7.045 -0.838) 8.178 9.326 ( 3.719 -6.442 1.210) 7.537 9.712 ( -0.280 0.485 2.246) 2.315 9.783 ( 0.861 -1.492 0.003) 1.722 10.169 ( 6.437 -11.149 -2.341) 13.084 10.283 ( 4.502 -7.798 -0.210) 9.006 11.194 ( 2.215 -3.837 0.856) 4.513 11.305 ( 2.373 -4.109 -0.114) 4.747 11.693 ( 2.142 -3.710 1.186) 4.445 11.776 ( 1.901 -3.293 -3.649) 5.270 12.196 ( -3.313 5.738 -0.119) 6.627 12.307 ( -0.789 1.367 3.590) 3.922 12.525 ( 0.224 -0.388 0.309) 0.544 12.628 ( 1.080 -1.871 2.081) 2.999 13.131 ( -2.358 4.084 -5.708) 7.404 13.317 ( -1.815 3.143 5.833) 6.870 13.631 ( -1.908 3.305 4.441) 5.855 13.799 ( -1.905 3.300 -7.775) 8.659 13.916 ( -3.867 6.697 -0.232) 7.737 14.697 ( -6.392 11.072 -2.065) 12.951 16.963 ( -0.880 1.524 -3.040) 3.512 17.084 ( -1.204 2.086 -0.892) 2.569 17.527 ( 4.002 -6.932 14.047) 16.168 17.747 ( 0.208 -0.360 -10.475) 10.483 17.903 ( -4.631 8.021 1.068) 9.323 17.962 ( -2.755 4.772 1.632) 5.747 19.752 ( 9.120 -15.796 15.175) 23.727 19.875 ( 7.976 -13.816 -16.255) 22.775 ======================= Grid point 388 (74/81) ======================= q-point: (-0.33 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -1.467 -1.939 12.365) 12.602 2.242 ( -13.389 -3.631 -17.371) 22.231 2.343 ( -2.548 12.935 -1.890) 13.319 2.366 ( 2.828 11.096 4.924) 12.465 2.666 ( 1.435 -1.642 6.214) 6.585 2.867 ( 5.236 -0.100 -4.568) 6.949 2.979 ( 0.977 -1.236 6.416) 6.607 3.177 ( 5.383 -2.545 -6.600) 8.889 3.428 ( 6.101 -0.863 5.278) 8.114 3.449 ( 3.406 -4.230 -6.061) 8.138 4.207 ( -13.565 -5.661 1.404) 14.766 4.514 ( -2.397 4.776 -0.163) 5.346 5.107 ( -0.073 0.145 7.247) 7.249 5.238 ( -0.841 -2.709 -4.929) 5.687 5.910 ( -11.666 6.563 -2.334) 13.588 5.940 ( -8.871 8.066 2.046) 12.163 7.048 ( 3.750 -0.144 3.212) 4.940 7.168 ( 2.780 1.446 -2.524) 4.024 7.361 ( 2.233 -4.442 3.824) 6.272 7.499 ( 5.646 -0.956 -2.040) 6.079 7.634 ( 0.021 -1.137 1.286) 1.717 7.711 ( 0.848 -0.317 -2.745) 2.890 7.840 ( -2.353 -1.673 0.166) 2.892 7.924 ( 0.003 0.675 -2.356) 2.451 9.124 ( -6.429 5.667 2.867) 9.037 9.157 ( -1.680 -1.411 -1.200) 2.501 9.221 ( -0.022 -1.327 0.114) 1.332 9.247 ( 3.259 -7.463 -1.697) 8.318 9.489 ( 9.953 4.093 1.299) 10.839 9.506 ( 9.398 3.201 -0.318) 9.933 10.125 ( -2.518 -6.319 -0.371) 6.812 10.220 ( -0.447 -2.442 0.371) 2.511 11.102 ( 2.548 -1.704 1.114) 3.261 11.179 ( 4.367 -0.631 0.776) 4.480 11.574 ( 2.894 -2.107 0.230) 3.587 11.648 ( 4.913 -1.831 -2.716) 5.905 12.256 ( 1.296 -1.297 4.029) 4.426 12.324 ( -3.098 2.449 -0.365) 3.966 12.593 ( -2.918 0.046 -2.979) 4.170 12.692 ( -1.092 2.035 -1.140) 2.575 13.255 ( -3.618 -0.790 -1.234) 3.903 13.327 ( -0.311 3.378 2.660) 4.311 13.795 ( -4.779 -2.260 0.902) 5.363 13.921 ( -2.560 -2.359 3.564) 4.982 14.139 ( -11.571 -2.009 -8.427) 14.454 14.681 ( 5.371 11.734 5.584) 14.061 17.002 ( 0.673 -3.141 -1.407) 3.507 17.099 ( -0.809 2.261 -0.865) 2.552 17.409 ( 1.549 -5.606 5.964) 8.330 17.662 ( 5.189 -3.556 -7.860) 10.067 17.989 ( 0.042 3.782 0.480) 3.812 18.064 ( -2.336 7.991 -0.165) 8.327 19.442 ( 7.297 -1.268 22.706) 23.883 19.711 ( 1.061 -10.687 -21.257) 23.816 ======================= Grid point 389 (75/81) ======================= q-point: (-0.25 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 4.975 3.498 -0.532) 6.105 1.968 ( -12.431 -3.590 -13.808) 18.923 2.405 ( -5.897 14.802 -13.217) 20.702 2.525 ( 1.416 5.414 9.968) 11.431 2.698 ( 3.690 2.277 12.869) 13.580 2.861 ( -1.833 -5.458 6.290) 8.528 3.053 ( 5.351 2.542 -0.017) 5.924 3.205 ( 1.134 -3.776 -6.354) 7.478 3.447 ( 3.622 -6.166 -7.625) 10.454 3.526 ( 2.919 1.565 6.207) 7.035 3.954 ( -7.444 -4.879 0.202) 8.903 4.510 ( -2.166 3.058 0.831) 3.838 5.122 ( 1.404 0.502 4.440) 4.683 5.186 ( -1.291 -3.225 -1.900) 3.960 5.811 ( -8.821 9.723 -4.886) 14.008 5.892 ( -7.108 9.774 3.879) 12.693 7.116 ( 2.215 2.226 1.881) 3.661 7.194 ( 0.374 -1.438 0.427) 1.546 7.356 ( 2.769 -4.966 2.688) 6.289 7.584 ( 5.450 -3.033 -3.661) 7.232 7.630 ( 0.731 0.188 -0.417) 0.863 7.701 ( -0.897 -2.032 -1.676) 2.783 7.793 ( -0.814 -1.377 1.061) 1.920 7.926 ( -0.584 0.987 -1.727) 2.073 9.091 ( -5.080 7.416 3.229) 9.552 9.120 ( -2.646 2.103 -2.166) 4.015 9.205 ( 2.045 -4.938 -0.156) 5.347 9.226 ( -0.455 -0.451 -0.736) 0.976 9.684 ( 6.036 2.760 2.973) 7.273 9.694 ( 9.224 0.173 -0.571) 9.243 10.011 ( -0.652 -9.549 -2.102) 9.799 10.165 ( 0.512 -6.566 0.719) 6.625 11.133 ( 2.125 -1.205 0.275) 2.458 11.226 ( 2.777 -2.394 0.398) 3.688 11.603 ( 3.540 -3.930 -0.266) 5.296 11.692 ( 3.716 -4.366 -2.191) 6.138 12.287 ( 2.516 -0.340 1.175) 2.797 12.321 ( -3.248 7.005 1.114) 7.802 12.552 ( -2.423 1.397 -0.476) 2.837 12.643 ( -3.874 -0.460 3.652) 5.344 13.211 ( -2.419 2.507 -5.222) 6.277 13.349 ( 0.095 1.136 3.015) 3.223 13.685 ( -4.101 -2.718 4.980) 7.001 13.800 ( -0.872 -5.985 -6.432) 8.829 14.089 ( -5.247 10.532 -6.257) 13.327 14.818 ( 0.765 5.650 7.601) 9.502 16.992 ( -0.251 0.164 -1.450) 1.481 17.087 ( 0.078 -1.914 -1.752) 2.596 17.404 ( 3.102 -4.746 8.473) 10.195 17.689 ( 2.918 -4.115 -8.584) 9.957 18.044 ( -0.895 7.177 0.681) 7.265 18.083 ( -5.322 8.635 0.419) 10.152 19.520 ( 5.903 -5.921 21.222) 22.810 19.641 ( 4.647 -12.363 -21.166) 24.949 ======================= Grid point 401 (76/81) ======================= q-point: (-0.42 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -1.887 -5.038 22.507) 23.141 2.355 ( -0.759 -0.180 -8.730) 8.764 2.405 ( -5.798 -3.671 -11.202) 13.137 2.460 ( 1.938 9.695 13.135) 16.440 2.700 ( -0.448 5.792 -2.390) 6.281 2.795 ( 4.678 3.022 -6.646) 8.671 2.953 ( 2.105 1.034 7.292) 7.660 3.062 ( 3.686 -2.218 -6.818) 8.061 3.351 ( 2.676 1.111 2.005) 3.523 3.401 ( 0.755 -0.262 -6.956) 7.002 4.345 ( -9.431 -7.572 1.846) 12.235 4.558 ( -0.713 -0.202 0.615) 0.962 5.108 ( -0.214 -0.256 7.073) 7.081 5.219 ( -1.055 -3.511 -4.895) 6.115 6.081 ( -4.975 -0.062 -1.807) 5.294 6.120 ( -4.431 3.073 2.043) 5.767 7.000 ( 2.550 1.582 3.251) 4.425 7.153 ( 3.064 4.918 -3.150) 6.595 7.313 ( -0.167 -1.960 3.769) 4.251 7.421 ( 2.378 -0.316 -2.501) 3.465 7.630 ( -0.382 -0.592 1.618) 1.765 7.697 ( 0.408 -0.148 -2.123) 2.167 7.857 ( -1.958 -2.349 -1.007) 3.219 7.928 ( 0.749 1.303 -1.107) 1.866 9.057 ( 2.421 -3.220 0.604) 4.074 9.100 ( 3.475 -3.537 -1.404) 5.153 9.271 ( -2.025 4.632 2.421) 5.605 9.303 ( -1.190 1.972 -1.590) 2.799 9.407 ( 2.816 2.426 -2.697) 4.592 9.434 ( 4.996 5.291 3.185) 7.944 10.124 ( -3.724 -5.894 -0.137) 6.973 10.218 ( -1.431 -2.095 1.337) 2.868 11.062 ( 0.801 -0.587 -1.371) 1.693 11.118 ( 3.204 1.811 4.082) 5.496 11.533 ( 0.148 -0.743 -1.033) 1.281 11.563 ( 2.554 -1.762 -1.886) 3.631 12.227 ( -0.088 -1.977 4.376) 4.803 12.378 ( -0.741 1.631 0.410) 1.838 12.652 ( -2.412 2.014 -4.776) 5.717 12.702 ( 2.563 2.273 -3.518) 4.910 13.290 ( -2.054 -1.731 1.021) 2.874 13.354 ( 0.213 1.935 0.742) 2.083 13.831 ( -3.176 -3.752 0.620) 4.954 13.935 ( -4.757 -7.543 4.916) 10.183 14.267 ( -6.058 -3.254 -11.664) 13.540 14.683 ( 6.052 9.764 10.411) 15.504 16.945 ( 0.023 -4.486 -2.257) 5.021 17.126 ( 1.282 3.410 -1.482) 3.933 17.357 ( -1.915 -5.897 1.147) 6.306 17.574 ( 2.937 0.543 -1.495) 3.340 18.013 ( 1.410 3.634 0.318) 3.911 18.146 ( 1.925 7.626 -1.280) 7.969 19.367 ( 3.100 2.320 23.858) 24.170 19.631 ( -3.336 -9.778 -22.298) 24.575 ======================= Grid point 402 (77/81) ======================= q-point: (-0.33 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 3.941 -0.116 12.627) 13.228 2.115 ( -11.204 -8.023 -12.064) 18.315 2.496 ( 3.453 4.845 -3.065) 6.692 2.564 ( 1.730 6.117 8.632) 10.720 2.731 ( -2.118 6.483 -0.561) 6.843 2.892 ( -0.756 3.567 0.644) 3.703 2.997 ( 3.526 2.594 0.821) 4.454 3.116 ( 4.544 -3.203 -5.951) 8.144 3.371 ( 0.295 -1.399 -7.046) 7.189 3.481 ( 6.025 3.976 3.768) 8.143 4.072 ( -12.455 -8.194 1.398) 14.974 4.529 ( -0.421 -2.703 1.249) 3.007 5.104 ( 0.263 -0.334 4.912) 4.931 5.159 ( -0.636 -4.983 -2.822) 5.761 6.004 ( -5.663 3.554 -3.141) 7.387 6.066 ( -5.183 3.937 3.541) 7.410 7.084 ( 3.973 3.165 2.406) 5.621 7.230 ( -0.943 4.902 -2.279) 5.488 7.283 ( 0.356 -3.494 3.459) 4.930 7.475 ( 4.490 -1.389 -4.209) 6.309 7.625 ( 0.228 0.289 1.326) 1.376 7.695 ( -0.253 -1.141 -1.424) 1.843 7.799 ( -1.882 -2.225 0.361) 2.937 7.945 ( -0.118 1.234 -1.310) 1.804 9.070 ( 2.713 -3.105 0.317) 4.136 9.105 ( 0.844 -2.438 -0.891) 2.730 9.283 ( -3.785 7.159 2.603) 8.507 9.319 ( -1.552 5.251 -1.562) 5.694 9.525 ( 8.755 0.950 -2.423) 9.134 9.590 ( 7.443 3.559 3.555) 8.984 9.983 ( -4.565 -7.738 -1.591) 9.123 10.133 ( -3.239 -6.161 2.008) 7.245 11.098 ( 2.205 1.393 -1.670) 3.097 11.175 ( 2.048 0.384 3.160) 3.785 11.519 ( 1.131 -4.162 -1.125) 4.457 11.580 ( 3.301 -5.208 -1.400) 6.323 12.245 ( 2.664 1.325 -0.407) 3.003 12.417 ( 0.297 7.037 3.831) 8.018 12.622 ( -3.170 2.244 -2.207) 4.467 12.719 ( -3.673 1.110 0.315) 3.850 13.244 ( -0.895 -1.091 -1.499) 2.059 13.354 ( -1.244 -1.471 -0.720) 2.057 13.705 ( -4.733 -9.877 4.265) 11.753 13.754 ( -1.774 -5.225 -3.711) 6.650 14.258 ( -2.687 8.826 -10.669) 14.105 14.818 ( 3.032 2.862 14.148) 14.749 16.938 ( 3.363 -3.013 -1.609) 4.794 17.097 ( -3.706 -3.438 0.491) 5.079 17.336 ( 2.173 -0.459 1.488) 2.673 17.606 ( 2.321 -2.639 -3.132) 4.708 18.114 ( 2.031 8.897 -0.553) 9.142 18.234 ( -1.675 8.847 -0.635) 9.027 19.421 ( 2.592 -0.937 22.931) 23.096 19.482 ( -0.453 -12.658 -22.968) 26.229 ======================= Grid point 403 (78/81) ======================= q-point: (-0.25 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 1.168 -2.022 4.867) 5.399 1.924 ( 0.068 -0.117 -8.424) 8.425 2.550 ( -0.593 1.026 5.363) 5.492 2.613 ( -3.314 5.739 -8.715) 10.948 2.771 ( 0.558 -0.967 5.917) 6.022 2.859 ( -5.133 8.890 8.586) 13.383 3.075 ( 0.394 -0.682 -2.184) 2.322 3.131 ( 2.000 -3.464 -7.431) 8.439 3.364 ( 0.922 -1.597 -8.505) 8.702 3.598 ( -1.979 3.429 7.433) 8.422 3.871 ( 1.480 -2.564 -0.743) 3.052 4.509 ( 1.476 -2.556 1.609) 3.361 5.112 ( 2.143 -3.712 -1.591) 4.572 5.119 ( 0.369 -0.640 3.462) 3.540 5.972 ( -3.708 6.423 -3.723) 8.298 6.039 ( -2.962 5.130 4.240) 7.284 7.162 ( 0.295 -0.510 1.516) 1.627 7.205 ( -2.476 4.289 1.984) 5.335 7.281 ( 1.067 -1.847 0.144) 2.138 7.512 ( 2.141 -3.708 -5.735) 7.157 7.649 ( -0.552 0.955 -0.618) 1.265 7.665 ( 0.615 -1.066 1.040) 1.611 7.770 ( 0.551 -0.955 1.173) 1.610 7.950 ( -0.669 1.159 -1.412) 1.945 9.080 ( 1.988 -3.443 0.270) 3.985 9.097 ( 0.167 -0.289 -0.927) 0.985 9.285 ( -4.721 8.178 2.797) 9.848 9.333 ( -3.508 6.075 -1.510) 7.176 9.661 ( 2.693 -4.665 -0.451) 5.405 9.671 ( 2.703 -4.683 2.097) 5.799 9.879 ( 1.315 -2.277 -2.060) 3.340 10.049 ( 2.564 -4.441 2.039) 5.518 11.131 ( -0.533 0.923 -0.859) 1.369 11.193 ( 0.378 -0.654 0.603) 0.966 11.505 ( 3.300 -5.715 -1.576) 6.785 11.579 ( 3.967 -6.871 1.009) 7.998 12.295 ( -0.723 1.253 -4.017) 4.269 12.477 ( -4.394 7.610 3.993) 9.652 12.615 ( -2.910 5.040 -0.780) 5.871 12.643 ( -0.565 0.979 5.450) 5.566 13.243 ( 0.133 -0.231 -4.918) 4.926 13.310 ( 2.700 -4.677 -0.842) 5.466 13.628 ( 1.277 -2.212 4.291) 4.993 13.709 ( 1.953 -3.383 -5.643) 6.863 14.283 ( -5.076 8.792 -10.154) 14.358 14.855 ( 0.444 -0.769 15.591) 15.617 16.994 ( 0.560 -0.971 1.319) 1.731 17.000 ( 2.971 -5.145 -2.047) 6.284 17.360 ( -0.035 0.060 2.747) 2.748 17.610 ( 2.205 -3.820 -4.117) 6.034 18.195 ( -4.501 7.796 -0.564) 9.020 18.253 ( -4.780 8.278 -0.589) 9.577 19.409 ( 6.445 -11.163 -23.307) 26.634 19.438 ( 1.591 -2.756 22.472) 22.697 ======================= Grid point 413 (79/81) ======================= q-point: (-0.42 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.166 0.288 17.652) 17.655 2.172 ( -7.020 -12.159 -11.311) 18.030 2.486 ( 3.645 6.313 -1.179) 7.384 2.583 ( 2.099 3.635 9.088) 10.010 2.791 ( 1.212 2.100 -2.492) 3.477 2.911 ( 4.365 7.560 -6.779) 11.052 2.992 ( 1.411 2.444 6.956) 7.507 3.043 ( 0.364 0.630 -7.333) 7.369 3.402 ( 2.346 4.063 1.899) 5.062 3.412 ( 0.980 1.698 -6.776) 7.054 4.151 ( -7.155 -12.392 2.111) 14.464 4.508 ( -2.208 -3.824 1.241) 4.586 5.107 ( 0.105 0.182 5.547) 5.551 5.131 ( -2.844 -4.926 -3.410) 6.632 6.067 ( -0.597 -1.033 -1.555) 1.960 6.130 ( -0.752 -1.302 2.354) 2.793 7.064 ( 2.491 4.314 2.195) 5.444 7.245 ( 1.028 1.781 -0.998) 2.286 7.296 ( 1.044 1.808 1.061) 2.342 7.422 ( 0.354 0.613 -3.622) 3.691 7.624 ( 0.040 0.069 1.648) 1.650 7.691 ( -0.258 -0.447 -0.659) 0.836 7.806 ( -1.602 -2.775 0.095) 3.206 7.952 ( 0.600 1.040 -1.541) 1.954 9.027 ( -0.043 -0.074 0.154) 0.176 9.089 ( 1.135 1.966 -0.772) 2.397 9.336 ( 1.243 2.152 -1.686) 3.003 9.356 ( 2.167 3.753 2.381) 4.944 9.469 ( 1.986 3.440 -2.576) 4.735 9.540 ( 2.954 5.116 3.766) 7.005 9.986 ( -4.416 -7.649 -1.548) 8.966 10.133 ( -3.606 -6.246 2.557) 7.652 11.085 ( 1.670 2.893 -3.347) 4.729 11.161 ( 1.418 2.455 5.794) 6.450 11.495 ( -2.475 -4.287 -3.054) 5.817 11.513 ( -1.425 -2.469 -0.080) 2.852 12.228 ( 1.627 2.818 -0.835) 3.359 12.448 ( 3.246 5.621 5.232) 8.337 12.669 ( -0.150 -0.260 -2.495) 2.513 12.758 ( 1.423 2.465 -3.222) 4.299 13.243 ( -1.848 -3.201 0.805) 3.783 13.358 ( -1.711 -2.963 -2.084) 4.006 13.683 ( -6.825 -11.821 2.573) 13.890 13.753 ( -2.428 -4.206 -0.942) 4.947 14.327 ( 3.078 5.332 -12.423) 13.865 14.802 ( 1.753 3.036 16.297) 16.670 16.886 ( -0.763 -1.321 -1.567) 2.187 17.114 ( -3.073 -5.323 1.903) 6.435 17.317 ( 1.481 2.565 -1.471) 3.307 17.572 ( -0.463 -0.802 -0.675) 1.146 18.141 ( 5.150 8.920 -1.207) 10.370 18.294 ( 3.973 6.881 -0.918) 7.998 19.397 ( 0.487 0.844 23.038) 23.058 19.422 ( -6.479 -11.221 -23.372) 26.723 ======================= Grid point 415 (80/81) ======================= q-point: (-0.33 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 4.695 2.456 8.448) 9.972 1.942 ( -6.291 -9.108 -6.050) 12.615 2.589 ( -0.108 5.079 3.060) 5.931 2.647 ( 3.071 2.705 1.143) 4.249 2.782 ( -2.120 -0.858 3.286) 4.003 3.002 ( -2.006 5.234 1.091) 5.711 3.050 ( 2.942 2.051 -5.199) 6.316 3.073 ( 1.835 -0.908 -6.280) 6.605 3.413 ( -3.755 6.399 -4.702) 8.784 3.565 ( 9.680 3.838 2.973) 10.829 3.886 ( -9.057 -10.880 0.767) 14.177 4.446 ( 0.434 -4.579 1.463) 4.827 5.052 ( -0.328 -4.215 -1.717) 4.563 5.114 ( 0.174 0.281 3.726) 3.741 6.053 ( -1.284 1.749 -1.368) 2.565 6.098 ( -1.529 -0.126 2.855) 3.241 7.144 ( 2.385 2.632 1.562) 3.880 7.226 ( -0.805 -2.430 2.779) 3.778 7.340 ( -2.137 5.604 -3.654) 7.023 7.449 ( 2.446 -1.235 -5.515) 6.158 7.639 ( 1.164 0.952 2.205) 2.669 7.677 ( -1.017 -0.648 0.989) 1.560 7.758 ( -0.848 -1.856 1.396) 2.472 7.965 ( -0.033 0.757 -2.197) 2.324 9.040 ( 0.935 -0.117 -0.018) 0.943 9.133 ( -0.782 4.432 -0.295) 4.510 9.395 ( 2.137 2.489 -0.905) 3.403 9.408 ( -1.287 4.953 2.156) 5.553 9.533 ( 4.030 -0.149 -1.743) 4.393 9.595 ( 1.234 -3.947 2.220) 4.693 9.875 ( -1.405 -1.698 -1.387) 2.604 10.004 ( -2.861 -6.340 2.699) 7.461 11.157 ( 1.307 4.603 -3.048) 5.673 11.205 ( 0.060 2.920 2.803) 4.048 11.407 ( -0.055 -6.937 -3.062) 7.583 11.456 ( 1.091 -6.968 3.244) 7.763 12.320 ( 2.209 5.584 -6.375) 8.758 12.572 ( 1.870 7.484 6.838) 10.309 12.652 ( -0.826 0.477 2.339) 2.526 12.760 ( -5.002 3.654 -0.350) 6.204 13.186 ( 1.054 -5.046 -1.632) 5.408 13.228 ( -2.008 -9.837 -3.589) 10.663 13.595 ( 0.945 -0.625 0.716) 1.340 13.676 ( -1.601 -3.495 -2.618) 4.651 14.408 ( -0.677 5.885 -12.755) 14.063 14.828 ( 0.840 -0.766 19.151) 19.185 16.897 ( 3.166 -0.882 0.036) 3.286 16.994 ( -3.171 -5.624 2.273) 6.845 17.383 ( 0.735 4.117 -0.561) 4.219 17.548 ( 0.541 -3.483 -1.311) 3.760 18.313 ( 2.063 10.508 -1.581) 10.824 18.383 ( -1.515 5.873 -0.640) 6.099 19.236 ( -0.463 -11.746 -24.651) 27.310 19.405 ( 0.525 -0.713 22.241) 22.258 ======================= Grid point 428 (81/81) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -3.156 -5.466 1.119) 6.409 1.787 ( 3.156 5.466 1.119) 6.409 2.666 ( -0.688 -1.192 0.974) 1.686 2.666 ( 0.688 1.192 0.974) 1.686 2.751 ( 0.000 0.000 8.257) 8.257 3.055 ( -0.286 -0.495 -4.093) 4.132 3.055 ( 0.286 0.495 -4.093) 4.132 3.078 ( 0.000 0.000 -7.409) 7.409 3.578 ( -2.956 -5.119 2.015) 6.245 3.578 ( 2.956 5.119 2.015) 6.245 3.712 ( -0.000 -0.000 -2.997) 2.997 4.394 ( 0.000 0.000 1.490) 1.490 5.007 ( 0.000 0.000 -1.094) 1.094 5.119 ( 0.000 0.000 3.200) 3.200 6.081 ( -0.616 -1.066 1.012) 1.594 6.081 ( 0.616 1.066 1.012) 1.594 7.186 ( -0.932 -1.614 1.779) 2.577 7.186 ( 0.932 1.614 1.779) 2.577 7.419 ( -1.176 -2.037 -5.478) 5.961 7.419 ( 1.176 2.037 -5.478) 5.961 7.660 ( -0.587 -1.017 2.737) 2.978 7.660 ( 0.587 1.017 2.737) 2.978 7.737 ( 0.000 0.000 1.816) 1.816 7.973 ( 0.000 0.000 -2.732) 2.732 9.044 ( 0.000 0.000 -0.056) 0.056 9.204 ( 0.000 0.000 0.714) 0.714 9.437 ( -1.144 -1.981 -0.121) 2.291 9.437 ( 1.144 1.981 -0.121) 2.291 9.524 ( -0.108 -0.187 -0.072) 0.228 9.524 ( 0.108 0.187 -0.072) 0.228 9.905 ( -1.844 -3.193 1.335) 3.921 9.905 ( 1.844 3.193 1.335) 3.921 11.265 ( -0.103 -0.179 -0.980) 1.002 11.265 ( 0.103 0.179 -0.980) 1.002 11.275 ( 0.000 0.000 -5.958) 5.958 11.354 ( 0.000 0.000 8.224) 8.224 12.394 ( 0.000 0.000 -9.659) 9.659 12.650 ( -0.179 -0.310 5.099) 5.111 12.650 ( 0.179 0.310 5.099) 5.111 12.828 ( -0.000 -0.000 4.745) 4.745 13.106 ( -0.094 -0.163 -3.904) 3.909 13.106 ( 0.094 0.163 -3.904) 3.909 13.620 ( -1.163 -2.015 -1.769) 2.923 13.620 ( 1.163 2.015 -1.769) 2.923 14.468 ( 0.000 0.000 -13.702) 13.702 14.817 ( 0.000 0.000 20.558) 20.558 16.912 ( -1.259 -2.180 1.937) 3.176 16.912 ( 1.259 2.180 1.937) 3.176 17.470 ( -2.229 -3.861 -0.847) 4.538 17.470 ( 2.229 3.861 -0.847) 4.538 18.442 ( -0.269 -0.466 -0.543) 0.764 18.442 ( 0.269 0.466 -0.543) 0.764 19.097 ( -0.000 -0.000 -26.770) 26.770 19.397 ( 0.000 0.000 21.814) 21.814 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/38880 10.0 1328.007 1328.007 943.247 -0.000 -0.000 0.000 3/38880 20.0 202.377 202.377 223.896 -0.000 -0.000 0.000 3/38880 30.0 97.208 97.208 125.910 0.000 -0.000 0.000 3/38880 40.0 62.248 62.248 83.992 0.000 -0.000 0.000 3/38880 50.0 43.922 43.922 59.634 0.000 -0.000 0.000 3/38880 60.0 32.806 32.806 44.365 0.000 -0.000 0.000 3/38880 70.0 25.536 25.536 34.301 0.000 -0.000 0.000 3/38880 80.0 20.538 20.538 27.392 0.000 -0.000 0.000 3/38880 90.0 16.966 16.966 22.480 0.000 -0.000 0.000 3/38880 100.0 14.332 14.332 18.881 0.000 -0.000 0.000 3/38880 110.0 12.336 12.336 16.171 0.000 -0.000 0.000 3/38880 120.0 10.788 10.788 14.083 0.000 -0.000 0.000 3/38880 130.0 9.563 9.563 12.439 0.000 -0.000 0.000 3/38880 140.0 8.575 8.575 11.121 0.000 -0.000 0.000 3/38880 150.0 7.765 7.765 10.046 0.000 -0.000 0.000 3/38880 160.0 7.093 7.093 9.156 0.000 -0.000 0.000 3/38880 170.0 6.527 6.527 8.410 0.000 -0.000 0.000 3/38880 180.0 6.045 6.045 7.776 0.000 -0.000 0.000 3/38880 190.0 5.630 5.630 7.232 0.000 -0.000 0.000 3/38880 200.0 5.269 5.269 6.761 0.000 -0.000 0.000 3/38880 210.0 4.954 4.954 6.350 0.000 -0.000 0.000 3/38880 220.0 4.675 4.675 5.987 0.000 -0.000 0.000 3/38880 230.0 4.427 4.427 5.665 0.000 -0.000 0.000 3/38880 240.0 4.205 4.205 5.377 0.000 -0.000 0.000 3/38880 250.0 4.005 4.005 5.119 0.000 -0.000 0.000 3/38880 260.0 3.824 3.824 4.885 0.000 -0.000 0.000 3/38880 270.0 3.660 3.660 4.673 0.000 -0.000 0.000 3/38880 280.0 3.510 3.510 4.479 0.000 -0.000 0.000 3/38880 290.0 3.372 3.372 4.302 0.000 -0.000 0.000 3/38880 300.0 3.245 3.245 4.139 0.000 -0.000 0.000 3/38880 310.0 3.128 3.128 3.988 0.000 -0.000 0.000 3/38880 320.0 3.019 3.019 3.848 0.000 -0.000 0.000 3/38880 330.0 2.918 2.918 3.719 0.000 -0.000 0.000 3/38880 340.0 2.823 2.823 3.598 0.000 -0.000 0.000 3/38880 350.0 2.735 2.735 3.485 0.000 -0.000 0.000 3/38880 360.0 2.653 2.653 3.379 0.000 -0.000 0.000 3/38880 370.0 2.575 2.575 3.280 0.000 -0.000 0.000 3/38880 380.0 2.502 2.502 3.186 0.000 -0.000 0.000 3/38880 390.0 2.433 2.433 3.098 0.000 -0.000 0.000 3/38880 400.0 2.369 2.369 3.015 0.000 -0.000 0.000 3/38880 410.0 2.307 2.307 2.937 0.000 -0.000 0.000 3/38880 420.0 2.249 2.249 2.862 0.000 -0.000 0.000 3/38880 430.0 2.193 2.193 2.792 0.000 -0.000 0.000 3/38880 440.0 2.141 2.141 2.724 0.000 -0.000 0.000 3/38880 450.0 2.091 2.091 2.661 0.000 -0.000 0.000 3/38880 460.0 2.043 2.043 2.600 0.000 -0.000 0.000 3/38880 470.0 1.998 1.998 2.542 0.000 -0.000 0.000 3/38880 480.0 1.954 1.954 2.486 0.000 -0.000 0.000 3/38880 490.0 1.912 1.912 2.433 0.000 -0.000 0.000 3/38880 500.0 1.873 1.873 2.382 0.000 -0.000 0.000 3/38880 510.0 1.834 1.834 2.334 0.000 -0.000 0.000 3/38880 520.0 1.798 1.798 2.287 0.000 -0.000 0.000 3/38880 530.0 1.763 1.763 2.242 0.000 -0.000 0.000 3/38880 540.0 1.729 1.729 2.199 0.000 -0.000 0.000 3/38880 550.0 1.696 1.696 2.158 0.000 -0.000 0.000 3/38880 560.0 1.665 1.665 2.118 0.000 -0.000 0.000 3/38880 570.0 1.635 1.635 2.080 0.000 -0.000 0.000 3/38880 580.0 1.606 1.606 2.043 0.000 -0.000 0.000 3/38880 590.0 1.578 1.578 2.007 0.000 -0.000 0.000 3/38880 600.0 1.551 1.551 1.973 0.000 -0.000 0.000 3/38880 610.0 1.525 1.525 1.939 0.000 -0.000 0.000 3/38880 620.0 1.500 1.500 1.907 0.000 -0.000 0.000 3/38880 630.0 1.475 1.475 1.876 0.000 -0.000 0.000 3/38880 640.0 1.452 1.452 1.846 0.000 -0.000 0.000 3/38880 650.0 1.429 1.429 1.817 0.000 -0.000 0.000 3/38880 660.0 1.407 1.407 1.789 0.000 -0.000 0.000 3/38880 670.0 1.385 1.385 1.762 0.000 -0.000 0.000 3/38880 680.0 1.365 1.365 1.735 0.000 -0.000 0.000 3/38880 690.0 1.344 1.344 1.710 0.000 -0.000 0.000 3/38880 700.0 1.325 1.325 1.685 0.000 -0.000 0.000 3/38880 710.0 1.306 1.306 1.660 0.000 -0.000 0.000 3/38880 720.0 1.287 1.287 1.637 0.000 -0.000 0.000 3/38880 730.0 1.270 1.270 1.614 0.000 -0.000 0.000 3/38880 740.0 1.252 1.252 1.592 0.000 -0.000 0.000 3/38880 750.0 1.235 1.235 1.570 0.000 -0.000 0.000 3/38880 760.0 1.219 1.219 1.549 0.000 -0.000 0.000 3/38880 770.0 1.203 1.203 1.529 0.000 -0.000 0.000 3/38880 780.0 1.187 1.187 1.509 0.000 -0.000 0.000 3/38880 790.0 1.172 1.172 1.490 0.000 -0.000 0.000 3/38880 800.0 1.157 1.157 1.471 0.000 -0.000 0.000 3/38880 810.0 1.142 1.142 1.452 0.000 -0.000 0.000 3/38880 820.0 1.128 1.128 1.434 0.000 -0.000 0.000 3/38880 830.0 1.114 1.114 1.417 0.000 -0.000 0.000 3/38880 840.0 1.101 1.101 1.400 0.000 -0.000 0.000 3/38880 850.0 1.088 1.088 1.383 0.000 -0.000 0.000 3/38880 860.0 1.075 1.075 1.367 0.000 -0.000 0.000 3/38880 870.0 1.063 1.063 1.351 0.000 -0.000 0.000 3/38880 880.0 1.050 1.050 1.335 0.000 -0.000 0.000 3/38880 890.0 1.038 1.038 1.320 0.000 -0.000 0.000 3/38880 900.0 1.027 1.027 1.305 0.000 -0.000 0.000 3/38880 910.0 1.015 1.015 1.291 0.000 -0.000 0.000 3/38880 920.0 1.004 1.004 1.277 0.000 -0.000 0.000 3/38880 930.0 0.993 0.993 1.263 0.000 -0.000 0.000 3/38880 940.0 0.983 0.983 1.249 0.000 -0.000 0.000 3/38880 950.0 0.972 0.972 1.236 0.000 -0.000 0.000 3/38880 960.0 0.962 0.962 1.223 0.000 -0.000 0.000 3/38880 970.0 0.952 0.952 1.210 0.000 -0.000 0.000 3/38880 980.0 0.942 0.942 1.198 0.000 -0.000 0.000 3/38880 990.0 0.933 0.933 1.186 0.000 -0.000 0.000 3/38880 1000.0 0.923 0.923 1.174 0.000 -0.000 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:40:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|