----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:07:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.413364508189072 -3.206730795000000 0.000000000000000 b 5.413364508189072 3.206730795000000 0.000000000000000 c -1.948245240926312 0.000000000000000 4.457938478653685 Atomic positions (fractional): *1 Li 0.15687213928933 0.84312786071067 0.25000000000000 6.941 2 Li 0.84312786071067 0.15687213928933 0.75000000000000 6.941 *3 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 4 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 *5 F 0.78463817213297 0.46771428542395 0.67253117644466 18.998 6 F 0.21536182786703 0.53228571457605 0.32746882355534 18.998 7 F 0.46771428542395 0.78463817213297 0.17253117644466 18.998 *8 F 0.79088820984860 0.98914038515505 0.31883529802492 18.998 9 F 0.01085961484495 0.20911179015140 0.18116470197508 18.998 10 F 0.98914038515505 0.79088820984860 0.81883529802492 18.998 11 F 0.20911179015140 0.01085961484495 0.68116470197508 18.998 12 F 0.53228571457605 0.21536182786703 0.82746882355534 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.826729016378144 0.000000000000000 0.000000000000000 b 0.000000000000000 6.413461590000000 0.000000000000000 c -1.948245240926312 0.000000000000000 4.457938478653685 Atomic positions (fractional): *1 Li 0.50000000000000 0.34312786071067 0.25000000000000 6.941 > 1 2 Li 0.50000000000000 0.65687213928933 0.75000000000000 6.941 > 2 3 Li 0.00000000000000 0.84312786071067 0.25000000000000 6.941 > 1 4 Li 0.00000000000000 0.15687213928933 0.75000000000000 6.941 > 2 *5 Au 0.75000000000000 0.75000000000000 0.50000000000000 196.967 > 3 6 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 4 7 Au 0.25000000000000 0.25000000000000 0.50000000000000 196.967 > 3 8 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 4 *9 F 0.62617622877846 0.84153805664549 0.67253117644466 18.998 > 5 10 F 0.37382377122154 0.15846194335451 0.32746882355534 18.998 > 6 11 F 0.62617622877846 0.15846194335451 0.17253117644466 18.998 > 7 *12 F 0.89001429750182 0.09912608765323 0.31883529802492 18.998 > 8 13 F 0.10998570249818 0.09912608765323 0.18116470197508 18.998 > 9 14 F 0.89001429750182 0.90087391234677 0.81883529802492 18.998 > 10 15 F 0.10998570249818 0.90087391234677 0.68116470197508 18.998 > 11 16 F 0.37382377122154 0.84153805664549 0.82746882355534 18.998 > 12 17 F 0.12617622877846 0.34153805664549 0.67253117644466 18.998 > 5 18 F 0.87382377122154 0.65846194335451 0.32746882355534 18.998 > 6 19 F 0.12617622877846 0.65846194335451 0.17253117644466 18.998 > 7 20 F 0.39001429750182 0.59912608765323 0.31883529802492 18.998 > 8 21 F 0.60998570249818 0.59912608765323 0.18116470197508 18.998 > 9 22 F 0.39001429750182 0.40087391234677 0.81883529802492 18.998 > 10 23 F 0.60998570249818 0.40087391234677 0.68116470197508 18.998 > 11 24 F 0.87382377122154 0.34153805664549 0.82746882355534 18.998 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.826729016378144 0.000000000000000 0.000000000000000 b 0.000000000000000 12.826923180000000 0.000000000000000 c -5.844735722778936 0.000000000000000 13.373815435961056 Atomic positions (fractional): *1 Li 0.50000000000000 0.17156393035534 0.08333333333333 6.941 > 1 2 Li 0.50000000000000 0.67156393035534 0.08333333333333 6.941 > 1 3 Li 0.50000000000000 0.17156393035534 0.41666666666667 6.941 > 1 4 Li 0.50000000000000 0.67156393035534 0.41666666666667 6.941 > 1 5 Li 0.50000000000000 0.17156393035534 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.67156393035534 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.32843606964466 0.25000000000000 6.941 > 2 8 Li 0.50000000000000 0.82843606964466 0.25000000000000 6.941 > 2 9 Li 0.50000000000000 0.32843606964466 0.58333333333333 6.941 > 2 10 Li 0.50000000000000 0.82843606964466 0.58333333333333 6.941 > 2 11 Li 0.50000000000000 0.32843606964466 0.91666666666667 6.941 > 2 12 Li 0.50000000000000 0.82843606964466 0.91666666666667 6.941 > 2 13 Li 0.00000000000000 0.42156393035534 0.08333333333333 6.941 > 1 14 Li 0.00000000000000 0.92156393035534 0.08333333333333 6.941 > 1 15 Li 0.00000000000000 0.42156393035534 0.41666666666667 6.941 > 1 16 Li 0.00000000000000 0.92156393035534 0.41666666666667 6.941 > 1 17 Li 0.00000000000000 0.42156393035534 0.75000000000000 6.941 > 1 18 Li 0.00000000000000 0.92156393035534 0.75000000000000 6.941 > 1 19 Li 0.00000000000000 0.07843606964466 0.25000000000000 6.941 > 2 20 Li 0.00000000000000 0.57843606964466 0.25000000000000 6.941 > 2 21 Li 0.00000000000000 0.07843606964466 0.58333333333333 6.941 > 2 22 Li 0.00000000000000 0.57843606964466 0.58333333333333 6.941 > 2 23 Li 0.00000000000000 0.07843606964466 0.91666666666667 6.941 > 2 24 Li 0.00000000000000 0.57843606964466 0.91666666666667 6.941 > 2 *25 Au 0.75000000000000 0.37500000000000 0.16666666666667 196.967 > 3 26 Au 0.75000000000000 0.87500000000000 0.16666666666667 196.967 > 3 27 Au 0.75000000000000 0.37500000000000 0.50000000000000 196.967 > 3 28 Au 0.75000000000000 0.87500000000000 0.50000000000000 196.967 > 3 29 Au 0.75000000000000 0.37500000000000 0.83333333333333 196.967 > 3 30 Au 0.75000000000000 0.87500000000000 0.83333333333333 196.967 > 3 31 Au 0.75000000000000 0.12500000000000 0.00000000000000 196.967 > 4 32 Au 0.75000000000000 0.62500000000000 0.00000000000000 196.967 > 4 33 Au 0.75000000000000 0.12500000000000 0.33333333333333 196.967 > 4 34 Au 0.75000000000000 0.62500000000000 0.33333333333333 196.967 > 4 35 Au 0.75000000000000 0.12500000000000 0.66666666666667 196.967 > 4 36 Au 0.75000000000000 0.62500000000000 0.66666666666667 196.967 > 4 37 Au 0.25000000000000 0.12500000000000 0.16666666666667 196.967 > 3 38 Au 0.25000000000000 0.62500000000000 0.16666666666667 196.967 > 3 39 Au 0.25000000000000 0.12500000000000 0.50000000000000 196.967 > 3 40 Au 0.25000000000000 0.62500000000000 0.50000000000000 196.967 > 3 41 Au 0.25000000000000 0.12500000000000 0.83333333333333 196.967 > 3 42 Au 0.25000000000000 0.62500000000000 0.83333333333333 196.967 > 3 43 Au 0.25000000000000 0.37500000000000 0.00000000000000 196.967 > 4 44 Au 0.25000000000000 0.87500000000000 0.00000000000000 196.967 > 4 45 Au 0.25000000000000 0.37500000000000 0.33333333333333 196.967 > 4 46 Au 0.25000000000000 0.87500000000000 0.33333333333333 196.967 > 4 47 Au 0.25000000000000 0.37500000000000 0.66666666666667 196.967 > 4 48 Au 0.25000000000000 0.87500000000000 0.66666666666667 196.967 > 4 *49 F 0.62617622877846 0.42076902832275 0.22417705881489 18.998 > 5 50 F 0.62617622877846 0.92076902832275 0.22417705881489 18.998 > 5 51 F 0.62617622877846 0.42076902832275 0.55751039214822 18.998 > 5 52 F 0.62617622877846 0.92076902832275 0.55751039214822 18.998 > 5 53 F 0.62617622877846 0.42076902832275 0.89084372548155 18.998 > 5 54 F 0.62617622877846 0.92076902832275 0.89084372548155 18.998 > 5 55 F 0.37382377122154 0.07923097167725 0.10915627451845 18.998 > 6 56 F 0.37382377122154 0.57923097167725 0.10915627451845 18.998 > 6 57 F 0.37382377122154 0.07923097167725 0.44248960785178 18.998 > 6 58 F 0.37382377122154 0.57923097167725 0.44248960785178 18.998 > 6 59 F 0.37382377122154 0.07923097167725 0.77582294118511 18.998 > 6 60 F 0.37382377122154 0.57923097167725 0.77582294118511 18.998 > 6 61 F 0.62617622877846 0.07923097167725 0.05751039214822 18.998 > 7 62 F 0.62617622877846 0.57923097167725 0.05751039214822 18.998 > 7 63 F 0.62617622877846 0.07923097167725 0.39084372548155 18.998 > 7 64 F 0.62617622877846 0.57923097167725 0.39084372548155 18.998 > 7 65 F 0.62617622877846 0.07923097167725 0.72417705881489 18.998 > 7 66 F 0.62617622877846 0.57923097167725 0.72417705881489 18.998 > 7 *67 F 0.89001429750182 0.04956304382661 0.10627843267497 18.998 > 8 68 F 0.89001429750182 0.54956304382661 0.10627843267497 18.998 > 8 69 F 0.89001429750182 0.04956304382661 0.43961176600831 18.998 > 8 70 F 0.89001429750182 0.54956304382661 0.43961176600831 18.998 > 8 71 F 0.89001429750182 0.04956304382661 0.77294509934164 18.998 > 8 72 F 0.89001429750182 0.54956304382661 0.77294509934164 18.998 > 8 73 F 0.10998570249818 0.04956304382661 0.06038823399169 18.998 > 9 74 F 0.10998570249818 0.54956304382661 0.06038823399169 18.998 > 9 75 F 0.10998570249818 0.04956304382661 0.39372156732503 18.998 > 9 76 F 0.10998570249818 0.54956304382661 0.39372156732503 18.998 > 9 77 F 0.10998570249818 0.04956304382661 0.72705490065836 18.998 > 9 78 F 0.10998570249818 0.54956304382661 0.72705490065836 18.998 > 9 79 F 0.89001429750182 0.45043695617339 0.27294509934164 18.998 > 10 80 F 0.89001429750182 0.95043695617339 0.27294509934164 18.998 > 10 81 F 0.89001429750182 0.45043695617339 0.60627843267497 18.998 > 10 82 F 0.89001429750182 0.95043695617339 0.60627843267497 18.998 > 10 83 F 0.89001429750182 0.45043695617339 0.93961176600831 18.998 > 10 84 F 0.89001429750182 0.95043695617339 0.93961176600831 18.998 > 10 85 F 0.10998570249818 0.45043695617339 0.22705490065836 18.998 > 11 86 F 0.10998570249818 0.95043695617339 0.22705490065836 18.998 > 11 87 F 0.10998570249818 0.45043695617339 0.56038823399169 18.998 > 11 88 F 0.10998570249818 0.95043695617339 0.56038823399169 18.998 > 11 89 F 0.10998570249818 0.45043695617339 0.89372156732503 18.998 > 11 90 F 0.10998570249818 0.95043695617339 0.89372156732503 18.998 > 11 91 F 0.37382377122154 0.42076902832275 0.27582294118511 18.998 > 12 92 F 0.37382377122154 0.92076902832275 0.27582294118511 18.998 > 12 93 F 0.37382377122154 0.42076902832275 0.60915627451845 18.998 > 12 94 F 0.37382377122154 0.92076902832275 0.60915627451845 18.998 > 12 95 F 0.37382377122154 0.42076902832275 0.94248960785178 18.998 > 12 96 F 0.37382377122154 0.92076902832275 0.94248960785178 18.998 > 12 97 F 0.12617622877846 0.17076902832275 0.22417705881489 18.998 > 5 98 F 0.12617622877846 0.67076902832275 0.22417705881489 18.998 > 5 99 F 0.12617622877846 0.17076902832275 0.55751039214822 18.998 > 5 100 F 0.12617622877846 0.67076902832275 0.55751039214822 18.998 > 5 101 F 0.12617622877846 0.17076902832275 0.89084372548155 18.998 > 5 102 F 0.12617622877846 0.67076902832275 0.89084372548155 18.998 > 5 103 F 0.87382377122154 0.32923097167725 0.10915627451845 18.998 > 6 104 F 0.87382377122154 0.82923097167725 0.10915627451845 18.998 > 6 105 F 0.87382377122154 0.32923097167725 0.44248960785178 18.998 > 6 106 F 0.87382377122154 0.82923097167725 0.44248960785178 18.998 > 6 107 F 0.87382377122154 0.32923097167725 0.77582294118511 18.998 > 6 108 F 0.87382377122154 0.82923097167725 0.77582294118511 18.998 > 6 109 F 0.12617622877846 0.32923097167725 0.05751039214822 18.998 > 7 110 F 0.12617622877846 0.82923097167725 0.05751039214822 18.998 > 7 111 F 0.12617622877846 0.32923097167725 0.39084372548155 18.998 > 7 112 F 0.12617622877846 0.82923097167725 0.39084372548155 18.998 > 7 113 F 0.12617622877846 0.32923097167725 0.72417705881489 18.998 > 7 114 F 0.12617622877846 0.82923097167725 0.72417705881489 18.998 > 7 115 F 0.39001429750182 0.29956304382661 0.10627843267497 18.998 > 8 116 F 0.39001429750182 0.79956304382661 0.10627843267497 18.998 > 8 117 F 0.39001429750182 0.29956304382661 0.43961176600831 18.998 > 8 118 F 0.39001429750182 0.79956304382661 0.43961176600831 18.998 > 8 119 F 0.39001429750182 0.29956304382661 0.77294509934164 18.998 > 8 120 F 0.39001429750182 0.79956304382661 0.77294509934164 18.998 > 8 121 F 0.60998570249818 0.29956304382661 0.06038823399169 18.998 > 9 122 F 0.60998570249818 0.79956304382661 0.06038823399169 18.998 > 9 123 F 0.60998570249818 0.29956304382661 0.39372156732503 18.998 > 9 124 F 0.60998570249818 0.79956304382661 0.39372156732503 18.998 > 9 125 F 0.60998570249818 0.29956304382661 0.72705490065836 18.998 > 9 126 F 0.60998570249818 0.79956304382661 0.72705490065836 18.998 > 9 127 F 0.39001429750182 0.20043695617339 0.27294509934164 18.998 > 10 128 F 0.39001429750182 0.70043695617339 0.27294509934164 18.998 > 10 129 F 0.39001429750182 0.20043695617339 0.60627843267497 18.998 > 10 130 F 0.39001429750182 0.70043695617339 0.60627843267497 18.998 > 10 131 F 0.39001429750182 0.20043695617339 0.93961176600831 18.998 > 10 132 F 0.39001429750182 0.70043695617339 0.93961176600831 18.998 > 10 133 F 0.60998570249818 0.20043695617339 0.22705490065836 18.998 > 11 134 F 0.60998570249818 0.70043695617339 0.22705490065836 18.998 > 11 135 F 0.60998570249818 0.20043695617339 0.56038823399169 18.998 > 11 136 F 0.60998570249818 0.70043695617339 0.56038823399169 18.998 > 11 137 F 0.60998570249818 0.20043695617339 0.89372156732503 18.998 > 11 138 F 0.60998570249818 0.70043695617339 0.89372156732503 18.998 > 11 139 F 0.87382377122154 0.17076902832275 0.27582294118511 18.998 > 12 140 F 0.87382377122154 0.67076902832275 0.27582294118511 18.998 > 12 141 F 0.87382377122154 0.17076902832275 0.60915627451845 18.998 > 12 142 F 0.87382377122154 0.67076902832275 0.60915627451845 18.998 > 12 143 F 0.87382377122154 0.17076902832275 0.94248960785178 18.998 > 12 144 F 0.87382377122154 0.67076902832275 0.94248960785178 18.998 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7737691 0.0000000 -0.0242885 0.0000000 2.4819382 0.0000000 -0.0242885 0.0000000 2.6990766 -------------------------- Born effective charges -------------------------- 1 Li 1.4824773 0.0000000 0.0989381 0.0000000 1.0077618 0.0000000 0.0648296 0.0000000 1.3054869 2 Li 1.4824773 0.0000000 0.0989381 0.0000000 1.0077618 0.0000000 0.0648296 0.0000000 1.3054869 3 Au 2.3595932 0.0859419 -0.0927136 0.0706814 1.8056363 0.8335621 -0.1640743 0.6680976 2.2303180 4 Au 2.3595932 -0.0859419 -0.0927136 -0.0706814 1.8056363 -0.8335621 -0.1640743 -0.6680976 2.2303180 5 F -1.2253813 0.0881319 0.3691700 0.1787174 -0.6049292 -0.1490063 0.4223533 -0.1057467 -0.6139620 6 F -1.2253813 0.0881319 0.3691700 0.1787174 -0.6049292 -0.1490063 0.4223533 -0.1057467 -0.6139620 7 F -1.2253813 -0.0881319 0.3691700 -0.1787174 -0.6049292 0.1490063 0.4223533 0.1057467 -0.6139620 8 F -0.6956540 0.2367949 -0.3722823 0.2721133 -0.8017699 0.4466250 -0.3727310 0.3870594 -1.1539405 9 F -0.6956540 -0.2367949 -0.3722823 -0.2721133 -0.8017699 -0.4466250 -0.3727310 -0.3870594 -1.1539405 10 F -0.6956540 -0.2367949 -0.3722823 -0.2721133 -0.8017699 -0.4466250 -0.3727310 -0.3870594 -1.1539405 11 F -0.6956540 0.2367949 -0.3722823 0.2721133 -0.8017699 0.4466250 -0.3727310 0.3870594 -1.1539405 12 F -1.2253813 -0.0881319 0.3691700 -0.1787174 -0.6049292 0.1490063 0.4223533 0.1057467 -0.6139620 ---------------------------------------------------------------------------- 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: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2063 Number of blocks in projector: 2063 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 255 Use standard eigh solver. Tree of FC basis block matrices: - (2063, 2032), data: False |-- (255, 251), data: True |-- (255, 251), data: True |-- (255, 251), data: True |-- (430, 424), data: True |-- (430, 424), data: True |-- (438, 431), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.883 Solver_block: 200 / 400 - Time: 0.763 Solver_block: 300 / 400 - Time: 0.751 Solver_block: 400 / 400 - Time: 0.763 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.237 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2063 Number of blocks in projector: 2063 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 255 Use standard eigh solver. Tree of FC basis block matrices: - (2063, 2032), data: False |-- (255, 251), data: True |-- (255, 251), data: True |-- (255, 251), data: True |-- (430, 424), data: True |-- (430, 424), data: True |-- (438, 431), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:07:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:07:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.413364508189072 -3.206730795000000 0.000000000000000 b 5.413364508189072 3.206730795000000 0.000000000000000 c -1.948245240926312 0.000000000000000 4.457938478653685 Atomic positions (fractional): 1 Li 0.15687213928933 0.84312786071067 0.25000000000000 6.941 2 Li 0.84312786071067 0.15687213928933 0.75000000000000 6.941 3 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 4 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 5 F 0.78463817213297 0.46771428542395 0.67253117644466 18.998 6 F 0.21536182786703 0.53228571457605 0.32746882355534 18.998 7 F 0.46771428542395 0.78463817213297 0.17253117644466 18.998 8 F 0.79088820984860 0.98914038515505 0.31883529802492 18.998 9 F 0.01085961484495 0.20911179015140 0.18116470197508 18.998 10 F 0.98914038515505 0.79088820984860 0.81883529802492 18.998 11 F 0.20911179015140 0.01085961484495 0.68116470197508 18.998 12 F 0.53228571457605 0.21536182786703 0.82746882355534 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.826729016378144 0.000000000000000 0.000000000000000 b 0.000000000000000 12.826923180000000 0.000000000000000 c -5.844735722778936 0.000000000000000 13.373815435961056 Atomic positions (fractional): 1 Li 0.50000000000000 0.17156393035534 0.08333333333333 6.941 > 1 2 Li 0.50000000000000 0.67156393035534 0.08333333333333 6.941 > 1 3 Li 0.50000000000000 0.17156393035534 0.41666666666667 6.941 > 1 4 Li 0.50000000000000 0.67156393035534 0.41666666666667 6.941 > 1 5 Li 0.50000000000000 0.17156393035534 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.67156393035534 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.32843606964466 0.25000000000000 6.941 > 7 8 Li 0.50000000000000 0.82843606964466 0.25000000000000 6.941 > 7 9 Li 0.50000000000000 0.32843606964466 0.58333333333333 6.941 > 7 10 Li 0.50000000000000 0.82843606964466 0.58333333333333 6.941 > 7 11 Li 0.50000000000000 0.32843606964466 0.91666666666667 6.941 > 7 12 Li 0.50000000000000 0.82843606964466 0.91666666666667 6.941 > 7 13 Li 0.00000000000000 0.42156393035534 0.08333333333333 6.941 > 1 14 Li 0.00000000000000 0.92156393035534 0.08333333333333 6.941 > 1 15 Li 0.00000000000000 0.42156393035534 0.41666666666667 6.941 > 1 16 Li 0.00000000000000 0.92156393035534 0.41666666666667 6.941 > 1 17 Li 0.00000000000000 0.42156393035534 0.75000000000000 6.941 > 1 18 Li 0.00000000000000 0.92156393035534 0.75000000000000 6.941 > 1 19 Li 0.00000000000000 0.07843606964466 0.25000000000000 6.941 > 7 20 Li 0.00000000000000 0.57843606964466 0.25000000000000 6.941 > 7 21 Li 0.00000000000000 0.07843606964466 0.58333333333333 6.941 > 7 22 Li 0.00000000000000 0.57843606964466 0.58333333333333 6.941 > 7 23 Li 0.00000000000000 0.07843606964466 0.91666666666667 6.941 > 7 24 Li 0.00000000000000 0.57843606964466 0.91666666666667 6.941 > 7 25 Au 0.75000000000000 0.37500000000000 0.16666666666667 196.967 > 25 26 Au 0.75000000000000 0.87500000000000 0.16666666666667 196.967 > 25 27 Au 0.75000000000000 0.37500000000000 0.50000000000000 196.967 > 25 28 Au 0.75000000000000 0.87500000000000 0.50000000000000 196.967 > 25 29 Au 0.75000000000000 0.37500000000000 0.83333333333333 196.967 > 25 30 Au 0.75000000000000 0.87500000000000 0.83333333333333 196.967 > 25 31 Au 0.75000000000000 0.12500000000000 0.00000000000000 196.967 > 31 32 Au 0.75000000000000 0.62500000000000 0.00000000000000 196.967 > 31 33 Au 0.75000000000000 0.12500000000000 0.33333333333333 196.967 > 31 34 Au 0.75000000000000 0.62500000000000 0.33333333333333 196.967 > 31 35 Au 0.75000000000000 0.12500000000000 0.66666666666667 196.967 > 31 36 Au 0.75000000000000 0.62500000000000 0.66666666666667 196.967 > 31 37 Au 0.25000000000000 0.12500000000000 0.16666666666667 196.967 > 25 38 Au 0.25000000000000 0.62500000000000 0.16666666666667 196.967 > 25 39 Au 0.25000000000000 0.12500000000000 0.50000000000000 196.967 > 25 40 Au 0.25000000000000 0.62500000000000 0.50000000000000 196.967 > 25 41 Au 0.25000000000000 0.12500000000000 0.83333333333333 196.967 > 25 42 Au 0.25000000000000 0.62500000000000 0.83333333333333 196.967 > 25 43 Au 0.25000000000000 0.37500000000000 0.00000000000000 196.967 > 31 44 Au 0.25000000000000 0.87500000000000 0.00000000000000 196.967 > 31 45 Au 0.25000000000000 0.37500000000000 0.33333333333333 196.967 > 31 46 Au 0.25000000000000 0.87500000000000 0.33333333333333 196.967 > 31 47 Au 0.25000000000000 0.37500000000000 0.66666666666667 196.967 > 31 48 Au 0.25000000000000 0.87500000000000 0.66666666666667 196.967 > 31 49 F 0.62617622877846 0.42076902832275 0.22417705881489 18.998 > 49 50 F 0.62617622877846 0.92076902832275 0.22417705881489 18.998 > 49 51 F 0.62617622877846 0.42076902832275 0.55751039214822 18.998 > 49 52 F 0.62617622877846 0.92076902832275 0.55751039214822 18.998 > 49 53 F 0.62617622877846 0.42076902832275 0.89084372548155 18.998 > 49 54 F 0.62617622877846 0.92076902832275 0.89084372548155 18.998 > 49 55 F 0.37382377122154 0.07923097167725 0.10915627451845 18.998 > 55 56 F 0.37382377122154 0.57923097167725 0.10915627451845 18.998 > 55 57 F 0.37382377122154 0.07923097167725 0.44248960785178 18.998 > 55 58 F 0.37382377122154 0.57923097167725 0.44248960785178 18.998 > 55 59 F 0.37382377122154 0.07923097167725 0.77582294118511 18.998 > 55 60 F 0.37382377122154 0.57923097167725 0.77582294118511 18.998 > 55 61 F 0.62617622877846 0.07923097167725 0.05751039214822 18.998 > 61 62 F 0.62617622877846 0.57923097167725 0.05751039214822 18.998 > 61 63 F 0.62617622877846 0.07923097167725 0.39084372548155 18.998 > 61 64 F 0.62617622877846 0.57923097167725 0.39084372548155 18.998 > 61 65 F 0.62617622877846 0.07923097167725 0.72417705881489 18.998 > 61 66 F 0.62617622877846 0.57923097167725 0.72417705881489 18.998 > 61 67 F 0.89001429750182 0.04956304382661 0.10627843267497 18.998 > 67 68 F 0.89001429750182 0.54956304382661 0.10627843267497 18.998 > 67 69 F 0.89001429750182 0.04956304382661 0.43961176600831 18.998 > 67 70 F 0.89001429750182 0.54956304382661 0.43961176600831 18.998 > 67 71 F 0.89001429750182 0.04956304382661 0.77294509934164 18.998 > 67 72 F 0.89001429750182 0.54956304382661 0.77294509934164 18.998 > 67 73 F 0.10998570249818 0.04956304382661 0.06038823399169 18.998 > 73 74 F 0.10998570249818 0.54956304382661 0.06038823399169 18.998 > 73 75 F 0.10998570249818 0.04956304382661 0.39372156732503 18.998 > 73 76 F 0.10998570249818 0.54956304382661 0.39372156732503 18.998 > 73 77 F 0.10998570249818 0.04956304382661 0.72705490065836 18.998 > 73 78 F 0.10998570249818 0.54956304382661 0.72705490065836 18.998 > 73 79 F 0.89001429750182 0.45043695617339 0.27294509934164 18.998 > 79 80 F 0.89001429750182 0.95043695617339 0.27294509934164 18.998 > 79 81 F 0.89001429750182 0.45043695617339 0.60627843267497 18.998 > 79 82 F 0.89001429750182 0.95043695617339 0.60627843267497 18.998 > 79 83 F 0.89001429750182 0.45043695617339 0.93961176600831 18.998 > 79 84 F 0.89001429750182 0.95043695617339 0.93961176600831 18.998 > 79 85 F 0.10998570249818 0.45043695617339 0.22705490065836 18.998 > 85 86 F 0.10998570249818 0.95043695617339 0.22705490065836 18.998 > 85 87 F 0.10998570249818 0.45043695617339 0.56038823399169 18.998 > 85 88 F 0.10998570249818 0.95043695617339 0.56038823399169 18.998 > 85 89 F 0.10998570249818 0.45043695617339 0.89372156732503 18.998 > 85 90 F 0.10998570249818 0.95043695617339 0.89372156732503 18.998 > 85 91 F 0.37382377122154 0.42076902832275 0.27582294118511 18.998 > 91 92 F 0.37382377122154 0.92076902832275 0.27582294118511 18.998 > 91 93 F 0.37382377122154 0.42076902832275 0.60915627451845 18.998 > 91 94 F 0.37382377122154 0.92076902832275 0.60915627451845 18.998 > 91 95 F 0.37382377122154 0.42076902832275 0.94248960785178 18.998 > 91 96 F 0.37382377122154 0.92076902832275 0.94248960785178 18.998 > 91 97 F 0.12617622877846 0.17076902832275 0.22417705881489 18.998 > 49 98 F 0.12617622877846 0.67076902832275 0.22417705881489 18.998 > 49 99 F 0.12617622877846 0.17076902832275 0.55751039214822 18.998 > 49 100 F 0.12617622877846 0.67076902832275 0.55751039214822 18.998 > 49 101 F 0.12617622877846 0.17076902832275 0.89084372548155 18.998 > 49 102 F 0.12617622877846 0.67076902832275 0.89084372548155 18.998 > 49 103 F 0.87382377122154 0.32923097167725 0.10915627451845 18.998 > 55 104 F 0.87382377122154 0.82923097167725 0.10915627451845 18.998 > 55 105 F 0.87382377122154 0.32923097167725 0.44248960785178 18.998 > 55 106 F 0.87382377122154 0.82923097167725 0.44248960785178 18.998 > 55 107 F 0.87382377122154 0.32923097167725 0.77582294118511 18.998 > 55 108 F 0.87382377122154 0.82923097167725 0.77582294118511 18.998 > 55 109 F 0.12617622877846 0.32923097167725 0.05751039214822 18.998 > 61 110 F 0.12617622877846 0.82923097167725 0.05751039214822 18.998 > 61 111 F 0.12617622877846 0.32923097167725 0.39084372548155 18.998 > 61 112 F 0.12617622877846 0.82923097167725 0.39084372548155 18.998 > 61 113 F 0.12617622877846 0.32923097167725 0.72417705881489 18.998 > 61 114 F 0.12617622877846 0.82923097167725 0.72417705881489 18.998 > 61 115 F 0.39001429750182 0.29956304382661 0.10627843267497 18.998 > 67 116 F 0.39001429750182 0.79956304382661 0.10627843267497 18.998 > 67 117 F 0.39001429750182 0.29956304382661 0.43961176600831 18.998 > 67 118 F 0.39001429750182 0.79956304382661 0.43961176600831 18.998 > 67 119 F 0.39001429750182 0.29956304382661 0.77294509934164 18.998 > 67 120 F 0.39001429750182 0.79956304382661 0.77294509934164 18.998 > 67 121 F 0.60998570249818 0.29956304382661 0.06038823399169 18.998 > 73 122 F 0.60998570249818 0.79956304382661 0.06038823399169 18.998 > 73 123 F 0.60998570249818 0.29956304382661 0.39372156732503 18.998 > 73 124 F 0.60998570249818 0.79956304382661 0.39372156732503 18.998 > 73 125 F 0.60998570249818 0.29956304382661 0.72705490065836 18.998 > 73 126 F 0.60998570249818 0.79956304382661 0.72705490065836 18.998 > 73 127 F 0.39001429750182 0.20043695617339 0.27294509934164 18.998 > 79 128 F 0.39001429750182 0.70043695617339 0.27294509934164 18.998 > 79 129 F 0.39001429750182 0.20043695617339 0.60627843267497 18.998 > 79 130 F 0.39001429750182 0.70043695617339 0.60627843267497 18.998 > 79 131 F 0.39001429750182 0.20043695617339 0.93961176600831 18.998 > 79 132 F 0.39001429750182 0.70043695617339 0.93961176600831 18.998 > 79 133 F 0.60998570249818 0.20043695617339 0.22705490065836 18.998 > 85 134 F 0.60998570249818 0.70043695617339 0.22705490065836 18.998 > 85 135 F 0.60998570249818 0.20043695617339 0.56038823399169 18.998 > 85 136 F 0.60998570249818 0.70043695617339 0.56038823399169 18.998 > 85 137 F 0.60998570249818 0.20043695617339 0.89372156732503 18.998 > 85 138 F 0.60998570249818 0.70043695617339 0.89372156732503 18.998 > 85 139 F 0.87382377122154 0.17076902832275 0.27582294118511 18.998 > 91 140 F 0.87382377122154 0.67076902832275 0.27582294118511 18.998 > 91 141 F 0.87382377122154 0.17076902832275 0.60915627451845 18.998 > 91 142 F 0.87382377122154 0.67076902832275 0.60915627451845 18.998 > 91 143 F 0.87382377122154 0.17076902832275 0.94248960785178 18.998 > 91 144 F 0.87382377122154 0.67076902832275 0.94248960785178 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7737691 0.0000000 -0.0242885 0.0000000 2.4819382 0.0000000 -0.0242885 0.0000000 2.6990766 -------------------------- Born effective charges -------------------------- 1 Li 1.4824773 0.0000000 0.0989381 0.0000000 1.0077618 0.0000000 0.0648296 0.0000000 1.3054869 2 Li 1.4824773 0.0000000 0.0989381 0.0000000 1.0077618 0.0000000 0.0648296 0.0000000 1.3054869 3 Au 2.3595932 0.0859419 -0.0927136 0.0706814 1.8056363 0.8335621 -0.1640743 0.6680976 2.2303180 4 Au 2.3595932 -0.0859419 -0.0927136 -0.0706814 1.8056363 -0.8335621 -0.1640743 -0.6680976 2.2303180 5 F -1.2253813 0.0881319 0.3691700 0.1787174 -0.6049292 -0.1490063 0.4223533 -0.1057467 -0.6139620 6 F -1.2253813 0.0881319 0.3691700 0.1787174 -0.6049292 -0.1490063 0.4223533 -0.1057467 -0.6139620 7 F -1.2253813 -0.0881319 0.3691700 -0.1787174 -0.6049292 0.1490063 0.4223533 0.1057467 -0.6139620 8 F -0.6956540 0.2367949 -0.3722823 0.2721133 -0.8017699 0.4466250 -0.3727310 0.3870594 -1.1539405 9 F -0.6956540 -0.2367949 -0.3722823 -0.2721133 -0.8017699 -0.4466250 -0.3727310 -0.3870594 -1.1539405 10 F -0.6956540 -0.2367949 -0.3722823 -0.2721133 -0.8017699 -0.4466250 -0.3727310 -0.3870594 -1.1539405 11 F -0.6956540 0.2367949 -0.3722823 0.2721133 -0.8017699 0.4466250 -0.3727310 0.3870594 -1.1539405 12 F -1.2253813 -0.0881319 0.3691700 -0.1787174 -0.6049292 0.1490063 0.4223533 0.1057467 -0.6139620 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (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 2026-01-08 11:08:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:08:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.413364508189072 -3.206730795000000 0.000000000000000 b 5.413364508189072 3.206730795000000 0.000000000000000 c -1.948245240926312 0.000000000000000 4.457938478653685 Atomic positions (fractional): 1 Li 0.15687213928933 0.84312786071067 0.25000000000000 6.941 2 Li 0.84312786071067 0.15687213928933 0.75000000000000 6.941 3 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 4 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 5 F 0.78463817213297 0.46771428542395 0.67253117644466 18.998 6 F 0.21536182786703 0.53228571457605 0.32746882355534 18.998 7 F 0.46771428542395 0.78463817213297 0.17253117644466 18.998 8 F 0.79088820984860 0.98914038515505 0.31883529802492 18.998 9 F 0.01085961484495 0.20911179015140 0.18116470197508 18.998 10 F 0.98914038515505 0.79088820984860 0.81883529802492 18.998 11 F 0.20911179015140 0.01085961484495 0.68116470197508 18.998 12 F 0.53228571457605 0.21536182786703 0.82746882355534 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.826729016378144 0.000000000000000 0.000000000000000 b 0.000000000000000 12.826923180000000 0.000000000000000 c -5.844735722778936 0.000000000000000 13.373815435961056 Atomic positions (fractional): 1 Li 0.50000000000000 0.17156393035534 0.08333333333333 6.941 > 1 2 Li 0.50000000000000 0.67156393035534 0.08333333333333 6.941 > 1 3 Li 0.50000000000000 0.17156393035534 0.41666666666667 6.941 > 1 4 Li 0.50000000000000 0.67156393035534 0.41666666666667 6.941 > 1 5 Li 0.50000000000000 0.17156393035534 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.67156393035534 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.32843606964466 0.25000000000000 6.941 > 7 8 Li 0.50000000000000 0.82843606964466 0.25000000000000 6.941 > 7 9 Li 0.50000000000000 0.32843606964466 0.58333333333333 6.941 > 7 10 Li 0.50000000000000 0.82843606964466 0.58333333333333 6.941 > 7 11 Li 0.50000000000000 0.32843606964466 0.91666666666667 6.941 > 7 12 Li 0.50000000000000 0.82843606964466 0.91666666666667 6.941 > 7 13 Li 0.00000000000000 0.42156393035534 0.08333333333333 6.941 > 1 14 Li 0.00000000000000 0.92156393035534 0.08333333333333 6.941 > 1 15 Li 0.00000000000000 0.42156393035534 0.41666666666667 6.941 > 1 16 Li 0.00000000000000 0.92156393035534 0.41666666666667 6.941 > 1 17 Li 0.00000000000000 0.42156393035534 0.75000000000000 6.941 > 1 18 Li 0.00000000000000 0.92156393035534 0.75000000000000 6.941 > 1 19 Li 0.00000000000000 0.07843606964466 0.25000000000000 6.941 > 7 20 Li 0.00000000000000 0.57843606964466 0.25000000000000 6.941 > 7 21 Li 0.00000000000000 0.07843606964466 0.58333333333333 6.941 > 7 22 Li 0.00000000000000 0.57843606964466 0.58333333333333 6.941 > 7 23 Li 0.00000000000000 0.07843606964466 0.91666666666667 6.941 > 7 24 Li 0.00000000000000 0.57843606964466 0.91666666666667 6.941 > 7 25 Au 0.75000000000000 0.37500000000000 0.16666666666667 196.967 > 25 26 Au 0.75000000000000 0.87500000000000 0.16666666666667 196.967 > 25 27 Au 0.75000000000000 0.37500000000000 0.50000000000000 196.967 > 25 28 Au 0.75000000000000 0.87500000000000 0.50000000000000 196.967 > 25 29 Au 0.75000000000000 0.37500000000000 0.83333333333333 196.967 > 25 30 Au 0.75000000000000 0.87500000000000 0.83333333333333 196.967 > 25 31 Au 0.75000000000000 0.12500000000000 0.00000000000000 196.967 > 31 32 Au 0.75000000000000 0.62500000000000 0.00000000000000 196.967 > 31 33 Au 0.75000000000000 0.12500000000000 0.33333333333333 196.967 > 31 34 Au 0.75000000000000 0.62500000000000 0.33333333333333 196.967 > 31 35 Au 0.75000000000000 0.12500000000000 0.66666666666667 196.967 > 31 36 Au 0.75000000000000 0.62500000000000 0.66666666666667 196.967 > 31 37 Au 0.25000000000000 0.12500000000000 0.16666666666667 196.967 > 25 38 Au 0.25000000000000 0.62500000000000 0.16666666666667 196.967 > 25 39 Au 0.25000000000000 0.12500000000000 0.50000000000000 196.967 > 25 40 Au 0.25000000000000 0.62500000000000 0.50000000000000 196.967 > 25 41 Au 0.25000000000000 0.12500000000000 0.83333333333333 196.967 > 25 42 Au 0.25000000000000 0.62500000000000 0.83333333333333 196.967 > 25 43 Au 0.25000000000000 0.37500000000000 0.00000000000000 196.967 > 31 44 Au 0.25000000000000 0.87500000000000 0.00000000000000 196.967 > 31 45 Au 0.25000000000000 0.37500000000000 0.33333333333333 196.967 > 31 46 Au 0.25000000000000 0.87500000000000 0.33333333333333 196.967 > 31 47 Au 0.25000000000000 0.37500000000000 0.66666666666667 196.967 > 31 48 Au 0.25000000000000 0.87500000000000 0.66666666666667 196.967 > 31 49 F 0.62617622877846 0.42076902832275 0.22417705881489 18.998 > 49 50 F 0.62617622877846 0.92076902832275 0.22417705881489 18.998 > 49 51 F 0.62617622877846 0.42076902832275 0.55751039214822 18.998 > 49 52 F 0.62617622877846 0.92076902832275 0.55751039214822 18.998 > 49 53 F 0.62617622877846 0.42076902832275 0.89084372548155 18.998 > 49 54 F 0.62617622877846 0.92076902832275 0.89084372548155 18.998 > 49 55 F 0.37382377122154 0.07923097167725 0.10915627451845 18.998 > 55 56 F 0.37382377122154 0.57923097167725 0.10915627451845 18.998 > 55 57 F 0.37382377122154 0.07923097167725 0.44248960785178 18.998 > 55 58 F 0.37382377122154 0.57923097167725 0.44248960785178 18.998 > 55 59 F 0.37382377122154 0.07923097167725 0.77582294118511 18.998 > 55 60 F 0.37382377122154 0.57923097167725 0.77582294118511 18.998 > 55 61 F 0.62617622877846 0.07923097167725 0.05751039214822 18.998 > 61 62 F 0.62617622877846 0.57923097167725 0.05751039214822 18.998 > 61 63 F 0.62617622877846 0.07923097167725 0.39084372548155 18.998 > 61 64 F 0.62617622877846 0.57923097167725 0.39084372548155 18.998 > 61 65 F 0.62617622877846 0.07923097167725 0.72417705881489 18.998 > 61 66 F 0.62617622877846 0.57923097167725 0.72417705881489 18.998 > 61 67 F 0.89001429750182 0.04956304382661 0.10627843267497 18.998 > 67 68 F 0.89001429750182 0.54956304382661 0.10627843267497 18.998 > 67 69 F 0.89001429750182 0.04956304382661 0.43961176600831 18.998 > 67 70 F 0.89001429750182 0.54956304382661 0.43961176600831 18.998 > 67 71 F 0.89001429750182 0.04956304382661 0.77294509934164 18.998 > 67 72 F 0.89001429750182 0.54956304382661 0.77294509934164 18.998 > 67 73 F 0.10998570249818 0.04956304382661 0.06038823399169 18.998 > 73 74 F 0.10998570249818 0.54956304382661 0.06038823399169 18.998 > 73 75 F 0.10998570249818 0.04956304382661 0.39372156732503 18.998 > 73 76 F 0.10998570249818 0.54956304382661 0.39372156732503 18.998 > 73 77 F 0.10998570249818 0.04956304382661 0.72705490065836 18.998 > 73 78 F 0.10998570249818 0.54956304382661 0.72705490065836 18.998 > 73 79 F 0.89001429750182 0.45043695617339 0.27294509934164 18.998 > 79 80 F 0.89001429750182 0.95043695617339 0.27294509934164 18.998 > 79 81 F 0.89001429750182 0.45043695617339 0.60627843267497 18.998 > 79 82 F 0.89001429750182 0.95043695617339 0.60627843267497 18.998 > 79 83 F 0.89001429750182 0.45043695617339 0.93961176600831 18.998 > 79 84 F 0.89001429750182 0.95043695617339 0.93961176600831 18.998 > 79 85 F 0.10998570249818 0.45043695617339 0.22705490065836 18.998 > 85 86 F 0.10998570249818 0.95043695617339 0.22705490065836 18.998 > 85 87 F 0.10998570249818 0.45043695617339 0.56038823399169 18.998 > 85 88 F 0.10998570249818 0.95043695617339 0.56038823399169 18.998 > 85 89 F 0.10998570249818 0.45043695617339 0.89372156732503 18.998 > 85 90 F 0.10998570249818 0.95043695617339 0.89372156732503 18.998 > 85 91 F 0.37382377122154 0.42076902832275 0.27582294118511 18.998 > 91 92 F 0.37382377122154 0.92076902832275 0.27582294118511 18.998 > 91 93 F 0.37382377122154 0.42076902832275 0.60915627451845 18.998 > 91 94 F 0.37382377122154 0.92076902832275 0.60915627451845 18.998 > 91 95 F 0.37382377122154 0.42076902832275 0.94248960785178 18.998 > 91 96 F 0.37382377122154 0.92076902832275 0.94248960785178 18.998 > 91 97 F 0.12617622877846 0.17076902832275 0.22417705881489 18.998 > 49 98 F 0.12617622877846 0.67076902832275 0.22417705881489 18.998 > 49 99 F 0.12617622877846 0.17076902832275 0.55751039214822 18.998 > 49 100 F 0.12617622877846 0.67076902832275 0.55751039214822 18.998 > 49 101 F 0.12617622877846 0.17076902832275 0.89084372548155 18.998 > 49 102 F 0.12617622877846 0.67076902832275 0.89084372548155 18.998 > 49 103 F 0.87382377122154 0.32923097167725 0.10915627451845 18.998 > 55 104 F 0.87382377122154 0.82923097167725 0.10915627451845 18.998 > 55 105 F 0.87382377122154 0.32923097167725 0.44248960785178 18.998 > 55 106 F 0.87382377122154 0.82923097167725 0.44248960785178 18.998 > 55 107 F 0.87382377122154 0.32923097167725 0.77582294118511 18.998 > 55 108 F 0.87382377122154 0.82923097167725 0.77582294118511 18.998 > 55 109 F 0.12617622877846 0.32923097167725 0.05751039214822 18.998 > 61 110 F 0.12617622877846 0.82923097167725 0.05751039214822 18.998 > 61 111 F 0.12617622877846 0.32923097167725 0.39084372548155 18.998 > 61 112 F 0.12617622877846 0.82923097167725 0.39084372548155 18.998 > 61 113 F 0.12617622877846 0.32923097167725 0.72417705881489 18.998 > 61 114 F 0.12617622877846 0.82923097167725 0.72417705881489 18.998 > 61 115 F 0.39001429750182 0.29956304382661 0.10627843267497 18.998 > 67 116 F 0.39001429750182 0.79956304382661 0.10627843267497 18.998 > 67 117 F 0.39001429750182 0.29956304382661 0.43961176600831 18.998 > 67 118 F 0.39001429750182 0.79956304382661 0.43961176600831 18.998 > 67 119 F 0.39001429750182 0.29956304382661 0.77294509934164 18.998 > 67 120 F 0.39001429750182 0.79956304382661 0.77294509934164 18.998 > 67 121 F 0.60998570249818 0.29956304382661 0.06038823399169 18.998 > 73 122 F 0.60998570249818 0.79956304382661 0.06038823399169 18.998 > 73 123 F 0.60998570249818 0.29956304382661 0.39372156732503 18.998 > 73 124 F 0.60998570249818 0.79956304382661 0.39372156732503 18.998 > 73 125 F 0.60998570249818 0.29956304382661 0.72705490065836 18.998 > 73 126 F 0.60998570249818 0.79956304382661 0.72705490065836 18.998 > 73 127 F 0.39001429750182 0.20043695617339 0.27294509934164 18.998 > 79 128 F 0.39001429750182 0.70043695617339 0.27294509934164 18.998 > 79 129 F 0.39001429750182 0.20043695617339 0.60627843267497 18.998 > 79 130 F 0.39001429750182 0.70043695617339 0.60627843267497 18.998 > 79 131 F 0.39001429750182 0.20043695617339 0.93961176600831 18.998 > 79 132 F 0.39001429750182 0.70043695617339 0.93961176600831 18.998 > 79 133 F 0.60998570249818 0.20043695617339 0.22705490065836 18.998 > 85 134 F 0.60998570249818 0.70043695617339 0.22705490065836 18.998 > 85 135 F 0.60998570249818 0.20043695617339 0.56038823399169 18.998 > 85 136 F 0.60998570249818 0.70043695617339 0.56038823399169 18.998 > 85 137 F 0.60998570249818 0.20043695617339 0.89372156732503 18.998 > 85 138 F 0.60998570249818 0.70043695617339 0.89372156732503 18.998 > 85 139 F 0.87382377122154 0.17076902832275 0.27582294118511 18.998 > 91 140 F 0.87382377122154 0.67076902832275 0.27582294118511 18.998 > 91 141 F 0.87382377122154 0.17076902832275 0.60915627451845 18.998 > 91 142 F 0.87382377122154 0.67076902832275 0.60915627451845 18.998 > 91 143 F 0.87382377122154 0.17076902832275 0.94248960785178 18.998 > 91 144 F 0.87382377122154 0.67076902832275 0.94248960785178 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7737691 0.0000000 -0.0242885 0.0000000 2.4819382 0.0000000 -0.0242885 0.0000000 2.6990766 -------------------------- Born effective charges -------------------------- 1 Li 1.4824773 0.0000000 0.0989381 0.0000000 1.0077618 0.0000000 0.0648296 0.0000000 1.3054869 2 Li 1.4824773 0.0000000 0.0989381 0.0000000 1.0077618 0.0000000 0.0648296 0.0000000 1.3054869 3 Au 2.3595932 0.0859419 -0.0927136 0.0706814 1.8056363 0.8335621 -0.1640743 0.6680976 2.2303180 4 Au 2.3595932 -0.0859419 -0.0927136 -0.0706814 1.8056363 -0.8335621 -0.1640743 -0.6680976 2.2303180 5 F -1.2253813 0.0881319 0.3691700 0.1787174 -0.6049292 -0.1490063 0.4223533 -0.1057467 -0.6139620 6 F -1.2253813 0.0881319 0.3691700 0.1787174 -0.6049292 -0.1490063 0.4223533 -0.1057467 -0.6139620 7 F -1.2253813 -0.0881319 0.3691700 -0.1787174 -0.6049292 0.1490063 0.4223533 0.1057467 -0.6139620 8 F -0.6956540 0.2367949 -0.3722823 0.2721133 -0.8017699 0.4466250 -0.3727310 0.3870594 -1.1539405 9 F -0.6956540 -0.2367949 -0.3722823 -0.2721133 -0.8017699 -0.4466250 -0.3727310 -0.3870594 -1.1539405 10 F -0.6956540 -0.2367949 -0.3722823 -0.2721133 -0.8017699 -0.4466250 -0.3727310 -0.3870594 -1.1539405 11 F -0.6956540 0.2367949 -0.3722823 0.2721133 -0.8017699 0.4466250 -0.3727310 0.3870594 -1.1539405 12 F -1.2253813 -0.0881319 0.3691700 -0.1787174 -0.6049292 0.1490063 0.4223533 0.1057467 -0.6139620 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 11 ] 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: 0.77, Number of G-points: 289, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/250) ======================= 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 Number of triplets: 250 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 2.028 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 9.226 ( 0.000 0.000 0.000) 0.000 9.617 ( 0.000 0.000 0.000) 0.000 9.835 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.644 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 16.458 ( 0.000 0.000 0.000) 0.000 16.468 ( 0.000 0.000 0.000) 0.000 17.185 ( 0.000 0.000 0.000) 0.000 17.208 ( 0.000 0.000 0.000) 0.000 17.331 ( 0.000 0.000 0.000) 0.000 17.373 ( 0.000 0.000 0.000) 0.000 17.458 ( 0.000 0.000 0.000) 0.000 17.687 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/250) ======================= q-point: ( 0.11 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( 4.259 -11.017 7.422) 13.950 0.369 ( 12.917 -12.219 5.224) 18.532 0.559 ( 19.752 -14.924 16.283) 29.631 2.014 ( -3.799 -0.527 -1.111) 3.994 2.361 ( 0.326 5.786 -0.614) 5.828 2.526 ( -5.863 1.366 -0.746) 6.066 2.708 ( -0.425 -2.494 0.777) 2.647 2.959 ( 0.096 -0.704 0.532) 0.888 3.577 ( -4.764 -3.938 -2.012) 6.500 4.380 ( 3.486 6.367 0.397) 7.269 5.219 ( -6.763 -3.849 -7.398) 10.737 5.764 ( 0.807 6.659 5.802) 8.869 6.191 ( 4.864 -3.090 -4.877) 7.550 6.353 ( 0.359 -2.472 3.114) 3.992 6.576 ( -5.768 3.798 0.811) 6.954 6.674 ( -6.847 1.884 5.139) 8.766 6.842 ( 12.018 4.439 -0.051) 12.811 7.086 ( 4.218 -3.724 0.049) 5.627 7.238 ( 7.245 -9.256 9.033) 14.824 8.011 ( -5.775 -2.552 0.217) 6.318 8.122 ( 3.781 0.989 -8.542) 9.393 9.186 ( -4.544 1.919 -1.954) 5.306 9.856 ( -1.731 -2.530 -0.777) 3.162 10.031 ( -22.005 -11.131 -4.663) 25.097 10.154 ( -17.363 -13.746 -15.162) 26.839 10.668 ( 4.301 0.295 -3.936) 5.838 11.419 ( -0.087 3.013 1.133) 3.220 12.266 ( 59.395 47.666 30.314) 81.968 16.435 ( -3.027 1.463 0.421) 3.388 16.460 ( 0.942 0.480 -0.447) 1.148 17.139 ( -3.663 4.101 3.307) 6.417 17.321 ( 0.195 2.890 -0.393) 2.923 17.331 ( -4.244 -4.810 0.019) 6.415 17.495 ( 3.711 -4.446 2.104) 6.162 17.724 ( 0.588 -5.553 2.294) 6.037 18.361 ( 38.297 23.838 8.190) 45.847 ======================= Grid point 2 (3/250) ======================= q-point: ( 0.22 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 5.671 -11.274 6.752) 14.313 0.734 ( 13.231 -11.730 4.798) 18.321 1.044 ( 16.324 -11.518 12.895) 23.779 1.936 ( -8.405 1.954 -2.730) 9.051 2.272 ( 1.993 4.698 1.205) 5.243 2.396 ( -7.849 5.094 -0.638) 9.378 2.760 ( -1.428 -4.133 0.067) 4.373 2.965 ( 1.237 1.677 1.800) 2.754 3.602 ( -8.575 -8.603 -3.595) 12.668 4.285 ( 6.973 10.979 1.198) 13.061 5.192 ( -9.663 -8.317 -12.113) 17.586 5.667 ( 3.613 10.612 8.879) 14.300 6.276 ( 4.667 -2.988 -5.710) 7.957 6.418 ( -1.883 -2.985 -4.545) 5.755 6.436 ( -4.106 3.323 4.626) 7.022 6.607 ( -5.270 1.762 5.407) 7.753 6.941 ( 13.436 0.377 2.291) 13.636 7.216 ( 5.912 -3.572 4.188) 8.078 7.540 ( 8.133 -10.578 9.528) 16.396 7.984 ( -3.876 -0.711 -2.676) 4.764 8.090 ( 0.331 1.955 -3.758) 4.249 9.066 ( -7.078 3.386 -3.297) 8.511 9.813 ( -8.338 0.804 -0.294) 8.382 10.048 ( 0.141 -2.009 -0.660) 2.119 10.140 ( -15.819 -14.831 -12.438) 24.998 10.700 ( 7.250 0.793 -4.832) 8.748 11.364 ( 0.311 3.898 2.071) 4.425 12.144 ( 24.855 27.426 13.119) 39.269 16.372 ( -3.790 1.663 0.991) 4.256 16.458 ( 1.505 0.871 -0.975) 1.994 17.055 ( -2.559 3.014 2.503) 4.679 17.262 ( -0.080 3.262 -0.974) 3.405 17.394 ( 1.156 -3.619 -0.220) 3.806 17.594 ( 3.783 -2.409 -0.852) 4.565 17.854 ( -0.119 -7.298 -0.232) 7.303 18.395 ( 17.354 9.559 9.930) 22.161 ======================= Grid point 3 (4/250) ======================= 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 6.594 -10.435 5.207) 13.397 1.087 ( 12.968 -10.919 4.527) 17.547 1.389 ( 10.989 -6.530 7.356) 14.748 1.759 ( -9.438 5.446 -2.967) 11.294 2.186 ( -11.095 7.090 0.019) 13.167 2.264 ( 3.318 0.715 0.726) 3.471 2.815 ( -2.757 -4.838 -1.423) 5.748 2.943 ( 2.740 4.355 3.102) 6.008 3.671 ( -10.205 -12.286 -4.053) 16.478 4.162 ( 9.004 13.291 1.908) 16.166 5.211 ( -9.257 -11.821 -13.705) 20.329 5.557 ( 5.814 12.725 11.035) 17.818 6.267 ( -0.850 3.930 -3.024) 5.031 6.382 ( -2.095 -4.609 -2.506) 5.649 6.489 ( 1.405 -2.524 -1.038) 3.069 6.551 ( -3.561 2.278 5.553) 6.979 7.109 ( 14.376 -1.811 2.099) 14.641 7.348 ( 3.144 -3.183 5.358) 6.981 7.787 ( -0.498 -4.887 6.703) 8.311 7.935 ( -3.165 0.367 -3.519) 4.747 8.069 ( 6.036 -0.596 -0.247) 6.070 8.905 ( -8.096 4.015 -4.060) 9.907 9.712 ( -5.146 2.154 1.466) 5.768 9.996 ( -6.507 -1.241 -8.967) 11.149 10.300 ( -5.456 -16.200 -0.718) 17.109 10.732 ( 9.842 3.512 -6.159) 12.130 11.322 ( 0.146 2.132 2.900) 3.603 11.957 ( 10.819 19.761 6.796) 23.532 16.319 ( -2.789 1.021 1.123) 3.175 16.451 ( 1.328 1.018 -1.094) 1.999 17.005 ( -1.456 1.502 1.461) 2.551 17.206 ( -0.090 2.589 -0.693) 2.681 17.463 ( 1.835 -2.329 -0.043) 2.966 17.656 ( 2.096 -1.654 -0.716) 2.764 17.943 ( -0.130 -3.603 -2.164) 4.205 18.471 ( 8.981 2.696 8.744) 12.821 ======================= Grid point 4 (5/250) ======================= q-point: ( 0.44 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 4.519 -5.940 2.444) 7.853 1.390 ( 7.997 -7.161 3.725) 11.363 1.564 ( 5.680 -1.971 1.173) 6.125 1.569 ( -5.757 4.295 -2.126) 7.491 1.946 ( -9.177 6.122 -0.676) 11.053 2.299 ( 1.413 -0.566 0.736) 1.691 2.854 ( -2.825 -3.740 -2.323) 5.231 2.909 ( 2.817 3.929 2.970) 5.674 3.765 ( -6.888 -9.234 -2.473) 11.783 4.042 ( 6.441 9.412 1.595) 11.516 5.276 ( -5.958 -9.807 -9.966) 15.199 5.454 ( 4.989 9.968 9.032) 14.346 6.195 ( -0.901 1.554 -0.881) 2.000 6.434 ( -0.503 -3.613 -3.062) 4.762 6.503 ( -0.688 2.579 3.121) 4.107 6.527 ( 0.112 -0.908 0.347) 0.978 7.297 ( 12.917 -2.144 0.126) 13.095 7.408 ( -4.594 -1.029 3.685) 5.979 7.754 ( -4.505 1.588 0.148) 4.779 7.888 ( -1.437 0.485 -1.781) 2.340 8.235 ( 7.553 -3.869 3.304) 9.107 8.744 ( -5.816 2.967 -3.004) 7.187 9.658 ( -1.447 0.901 1.186) 2.076 9.926 ( -2.901 -0.330 -4.222) 5.133 10.516 ( -6.514 -13.646 2.595) 15.342 10.704 ( 9.379 8.071 -5.701) 13.624 11.322 ( -0.213 -0.462 1.869) 1.937 11.784 ( 2.862 8.853 2.240) 9.570 16.292 ( -1.012 0.313 0.516) 1.179 16.443 ( 0.528 0.481 -0.508) 0.876 16.984 ( -0.493 0.408 0.486) 0.804 17.171 ( -0.036 0.996 -0.259) 1.030 17.504 ( 0.780 -0.781 0.002) 1.104 17.688 ( 0.710 -0.620 -0.241) 0.973 17.970 ( -0.128 -0.877 -0.998) 1.335 18.539 ( 2.873 0.275 3.323) 4.401 ======================= Grid point 10 (6/250) ======================= q-point: ( 0.11 0.11 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 11.506 -0.000 12.018) 16.637 0.483 ( 16.054 -0.000 16.050) 22.701 0.775 ( 28.574 -0.000 18.416) 33.994 1.954 ( -6.351 0.000 -1.381) 6.499 2.406 ( -0.541 0.000 -1.861) 1.938 2.472 ( -5.114 0.000 0.285) 5.122 2.691 ( -0.972 0.000 2.181) 2.388 2.939 ( -1.754 0.000 0.636) 1.866 3.462 ( -8.147 0.000 -3.001) 8.682 4.489 ( 6.596 -0.000 -0.079) 6.596 5.050 ( -11.036 0.000 -11.878) 16.213 5.871 ( 1.854 -0.000 11.341) 11.492 6.223 ( 11.297 -0.000 -10.325) 15.304 6.324 ( -3.857 0.000 0.958) 3.974 6.542 ( -11.151 0.000 3.898) 11.812 6.655 ( -4.146 0.000 7.183) 8.293 7.068 ( 7.142 -0.000 1.814) 7.369 7.090 ( 16.603 -0.000 2.320) 16.764 7.283 ( 6.147 -0.000 12.269) 13.723 7.932 ( -0.832 0.000 -2.522) 2.655 8.117 ( 2.489 -0.000 -9.787) 10.098 9.109 ( -9.796 0.000 -2.252) 10.052 9.578 ( -3.780 0.000 1.315) 4.002 9.864 ( 2.939 -0.000 -1.622) 3.357 10.054 ( -6.230 0.000 -1.846) 6.498 10.691 ( 3.519 -0.000 -4.121) 5.419 11.449 ( 2.357 -0.000 -5.210) 5.719 13.171 ( -3.743 0.000 2.896) 4.732 16.421 ( -3.611 0.000 -1.261) 3.825 16.422 ( -1.570 0.000 -3.683) 4.004 17.183 ( 0.868 -0.000 -2.497) 2.644 17.224 ( -5.983 0.000 10.965) 12.492 17.438 ( 2.763 -0.000 7.125) 7.642 17.522 ( 10.391 -0.000 1.707) 10.530 17.657 ( -2.931 0.000 0.147) 2.934 19.041 ( 2.846 -0.000 -7.135) 7.682 ======================= Grid point 11 (7/250) ======================= q-point: ( 0.22 0.11 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 11.813 -4.153 10.940) 16.628 0.770 ( 14.840 -5.964 13.070) 20.655 1.178 ( 23.797 -4.151 15.104) 28.490 1.864 ( -8.513 0.867 -1.644) 8.714 2.354 ( -1.982 3.762 0.835) 4.333 2.386 ( -6.533 2.896 -0.813) 7.192 2.693 ( -2.441 -1.428 1.093) 3.032 2.954 ( -2.073 -3.560 1.010) 4.241 3.383 ( -9.315 -2.957 -4.188) 10.632 4.518 ( 9.238 5.719 -0.125) 10.866 4.908 ( -11.653 -4.452 -13.930) 18.699 5.908 ( 5.335 6.112 12.488) 14.892 6.270 ( 1.146 -0.894 -3.745) 4.017 6.329 ( 3.709 -2.089 -10.517) 11.346 6.436 ( -7.645 0.966 5.986) 9.758 6.643 ( -1.837 2.162 8.677) 9.129 7.128 ( 12.404 2.905 3.827) 13.302 7.270 ( 9.062 -0.484 4.912) 10.319 7.493 ( 7.075 -9.110 9.824) 15.151 7.921 ( -1.983 -0.967 -3.257) 3.934 8.095 ( 0.870 0.481 -5.261) 5.354 8.979 ( -12.144 0.349 -4.314) 12.892 9.631 ( -7.876 -8.220 -0.799) 11.412 9.894 ( -0.035 -1.206 -2.093) 2.415 9.996 ( -2.855 -1.676 -1.111) 3.491 10.714 ( 2.944 -1.657 -5.609) 6.547 11.428 ( 2.795 2.125 -6.405) 7.304 12.880 ( 4.861 26.240 5.618) 27.271 16.353 ( -4.637 1.068 0.377) 4.773 16.424 ( -1.507 -2.605 -5.239) 6.041 17.122 ( -0.537 4.813 3.070) 5.735 17.250 ( -1.314 -1.286 1.223) 2.208 17.467 ( 5.579 3.634 4.944) 8.293 17.599 ( 1.317 -1.111 2.770) 3.262 17.740 ( 3.439 -6.969 -0.443) 7.784 18.852 ( 8.893 16.963 2.950) 19.378 ======================= Grid point 12 (8/250) ======================= q-point: ( 0.33 0.11 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 11.905 -6.634 9.257) 16.475 1.090 ( 13.124 -8.000 9.953) 18.311 1.476 ( 12.063 -0.722 7.536) 14.242 1.750 ( -4.475 2.573 0.492) 5.185 2.192 ( -11.486 6.593 2.502) 13.478 2.313 ( 0.762 1.932 -0.717) 2.197 2.701 ( -3.770 -3.249 -1.661) 5.247 3.010 ( 0.794 -1.887 2.596) 3.306 3.345 ( -10.944 -7.746 -5.137) 14.359 4.481 ( 10.723 10.452 0.219) 14.976 4.855 ( -9.987 -9.659 -14.114) 19.805 5.885 ( 7.561 10.377 12.056) 17.613 6.226 ( -8.623 -0.431 -2.912) 9.111 6.343 ( 4.035 -0.786 -2.056) 4.596 6.462 ( 3.056 -2.580 -1.622) 4.316 6.622 ( 0.346 3.768 8.908) 9.678 7.249 ( 12.347 0.036 3.298) 12.780 7.360 ( 1.855 -0.723 5.259) 5.624 7.714 ( -0.448 -5.429 3.534) 6.494 7.899 ( -1.156 -0.270 -2.136) 2.444 8.107 ( 5.742 -1.705 -0.557) 6.015 8.816 ( -12.554 0.904 -5.819) 13.866 9.653 ( -5.483 -3.500 -2.862) 7.106 9.876 ( -2.987 -0.946 -0.209) 3.140 10.077 ( 0.142 -7.812 0.643) 7.840 10.761 ( 2.700 -3.370 -6.090) 7.465 11.385 ( 3.123 2.814 -6.543) 7.776 12.496 ( 4.485 26.677 6.219) 27.757 16.299 ( -3.962 0.317 1.315) 4.186 16.426 ( -1.386 -2.070 -5.598) 6.127 17.054 ( 0.369 4.219 2.772) 5.062 17.236 ( -0.743 1.487 -0.336) 1.696 17.485 ( 3.008 1.179 1.802) 3.699 17.658 ( 1.415 -1.625 5.000) 5.444 17.872 ( 3.327 -4.507 -2.788) 6.258 18.726 ( 7.797 10.579 6.207) 14.534 ======================= Grid point 13 (9/250) ======================= q-point: ( 0.44 0.11 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 12.079 -5.525 7.829) 15.418 1.381 ( 9.315 -6.574 6.901) 13.327 1.454 ( -8.473 2.939 -2.838) 9.407 1.749 ( 7.516 4.469 5.648) 10.409 1.962 ( -8.897 6.448 0.905) 11.025 2.307 ( -0.044 -0.058 0.934) 0.937 2.711 ( -4.815 -4.527 -3.935) 7.692 3.032 ( 3.183 3.253 2.604) 5.244 3.404 ( -10.740 -14.374 -3.996) 18.383 4.380 ( 10.195 13.652 0.300) 17.041 4.906 ( -7.761 -13.376 -12.653) 19.981 5.814 ( 7.762 13.016 11.827) 19.224 6.148 ( -5.540 -1.032 -1.616) 5.862 6.407 ( 3.387 -2.257 -0.110) 4.071 6.521 ( 3.219 -1.074 -2.195) 4.041 6.600 ( 2.380 4.820 7.884) 9.542 7.341 ( -6.726 0.101 3.140) 7.424 7.406 ( 9.180 -0.516 0.442) 9.205 7.717 ( -2.915 -0.516 -1.662) 3.395 7.887 ( 0.101 0.275 0.024) 0.294 8.251 ( 5.662 -3.252 1.043) 6.612 8.665 ( -9.249 -0.978 -4.325) 10.256 9.636 ( -1.306 -1.149 -4.634) 4.950 9.894 ( 0.687 -1.556 4.362) 4.682 10.240 ( -3.307 -11.236 3.229) 12.150 10.820 ( 4.104 -2.124 -7.252) 8.599 11.343 ( 2.476 2.048 -5.169) 6.086 12.106 ( 0.109 23.493 4.868) 23.992 16.274 ( -2.465 -0.531 1.259) 2.819 16.417 ( -1.527 -1.455 -5.098) 5.517 17.010 ( 0.610 2.693 2.066) 3.449 17.197 ( -0.082 1.861 -0.716) 1.996 17.498 ( -0.575 -0.467 0.571) 0.935 17.714 ( 2.388 0.432 5.633) 6.133 17.942 ( 2.249 -2.222 -3.119) 4.441 18.666 ( 4.367 7.155 4.012) 9.293 ======================= Grid point 14 (10/250) ======================= q-point: (-0.44 0.11 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.650 10.222 3.322) 10.768 1.363 ( -4.410 -4.143 -0.616) 6.082 1.470 ( -0.765 3.255 -0.570) 3.392 1.698 ( 0.822 4.255 4.874) 6.523 1.951 ( 8.080 -3.921 2.056) 9.213 2.295 ( -1.777 1.052 -0.072) 2.066 2.734 ( -4.684 -6.186 -4.173) 8.810 2.996 ( 2.559 4.873 1.059) 5.605 3.566 ( -7.811 -15.999 -1.654) 17.881 4.228 ( 8.199 14.582 0.206) 16.730 5.033 ( -5.895 -14.833 -9.902) 18.784 5.707 ( 7.318 13.843 10.690) 18.959 6.142 ( -1.577 -2.821 -0.014) 3.232 6.475 ( 1.443 -1.795 1.117) 2.559 6.539 ( 2.216 1.175 -1.884) 3.137 6.580 ( 5.386 5.075 5.479) 9.208 7.203 ( -13.652 2.803 0.209) 13.939 7.450 ( 1.246 2.243 -3.869) 4.643 7.758 ( 5.801 -3.365 -0.751) 6.748 7.907 ( 1.747 -0.885 2.501) 3.176 8.204 ( -8.554 4.524 -5.450) 11.106 8.705 ( 2.060 -7.097 1.477) 7.536 9.643 ( 2.805 -1.586 -4.878) 5.847 9.977 ( 3.426 -1.900 8.000) 8.908 10.407 ( -7.195 -11.095 7.170) 15.042 10.824 ( 7.789 5.574 -7.746) 12.318 11.323 ( 0.861 0.322 -3.261) 3.388 11.759 ( -5.785 13.186 0.749) 14.419 16.278 ( -0.798 -1.299 0.749) 1.698 16.403 ( -1.808 -1.477 -4.123) 4.738 16.991 ( 0.515 1.052 1.276) 1.732 17.173 ( 0.502 0.658 -0.777) 1.135 17.492 ( -2.630 -0.570 0.281) 2.706 17.737 ( 2.198 2.623 6.007) 6.914 17.977 ( 1.618 -0.879 -1.992) 2.713 18.578 ( 0.096 6.935 -0.983) 7.005 ======================= Grid point 15 (11/250) ======================= q-point: (-0.33 0.11 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -5.515 11.428 -2.899) 13.016 1.185 ( -6.797 13.264 6.072) 16.094 1.395 ( -3.908 6.612 -7.723) 10.892 1.776 ( 8.456 -5.027 3.085) 10.310 2.148 ( 3.373 -7.150 3.634) 8.701 2.246 ( 0.659 1.370 -2.391) 2.834 2.794 ( -3.243 -6.994 -2.630) 8.146 2.933 ( 1.617 5.111 -0.003) 5.361 3.763 ( -4.587 -14.020 0.231) 14.753 4.057 ( 4.927 12.433 -0.328) 13.377 5.201 ( -4.173 -14.532 -6.176) 16.332 5.592 ( 7.283 12.781 8.414) 16.947 6.207 ( 0.797 -4.528 1.288) 4.775 6.469 ( -1.427 3.532 3.305) 5.043 6.526 ( 1.074 1.126 -2.994) 3.375 6.602 ( 8.256 2.566 2.198) 8.921 7.005 ( -13.065 3.249 -1.200) 13.516 7.356 ( -3.231 4.126 -4.330) 6.798 7.841 ( 2.060 3.497 -6.469) 7.637 7.967 ( 2.634 -1.754 3.120) 4.444 8.009 ( -6.673 0.625 -0.589) 6.728 8.876 ( 3.433 -7.492 1.694) 8.413 9.714 ( 6.566 -3.281 -3.169) 7.995 10.072 ( 1.396 -1.244 6.499) 6.763 10.532 ( -8.649 -7.884 11.067) 16.107 10.715 ( 11.844 15.491 0.511) 19.506 11.299 ( 2.703 0.821 -10.682) 11.049 11.585 ( -14.375 -4.838 -1.669) 15.259 16.308 ( 0.648 -1.950 0.522) 2.121 16.397 ( -1.969 -1.974 -3.278) 4.304 16.995 ( 0.471 -0.456 0.350) 0.743 17.179 ( 0.722 -0.914 -0.486) 1.262 17.468 ( -3.003 0.029 0.347) 3.024 17.723 ( 1.877 4.615 6.493) 8.184 17.988 ( 0.703 0.279 -0.678) 1.016 18.414 ( -4.220 7.606 -6.109) 10.630 ======================= Grid point 16 (12/250) ======================= q-point: (-0.22 0.11 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -4.073 11.865 -4.145) 13.212 0.910 ( -2.217 16.482 8.739) 18.787 1.099 ( -7.637 14.378 -11.492) 19.928 1.983 ( 8.810 -5.264 2.789) 10.635 2.160 ( -6.056 -1.810 -1.219) 6.437 2.368 ( 5.223 -6.180 0.428) 8.102 2.853 ( 0.427 4.921 0.644) 4.981 2.876 ( -1.154 -5.525 -2.002) 5.989 3.855 ( 4.495 10.006 2.605) 11.274 4.004 ( -4.241 -12.531 -2.128) 13.399 5.389 ( -2.308 -12.346 -0.340) 12.565 5.490 ( 5.700 9.597 2.586) 11.458 6.313 ( 1.210 -3.147 5.219) 6.213 6.390 ( -0.854 2.212 -3.578) 4.292 6.489 ( 0.082 2.806 -0.186) 2.813 6.658 ( 7.237 1.158 0.265) 7.333 6.830 ( -10.157 2.166 -1.333) 10.471 7.227 ( -3.048 4.713 -2.387) 6.100 7.620 ( -5.158 10.802 -5.836) 13.317 8.027 ( 2.331 -1.198 2.143) 3.385 8.054 ( 0.242 -3.121 0.820) 3.236 9.038 ( 2.644 -6.570 1.107) 7.168 9.856 ( 8.678 -4.485 -0.711) 9.794 10.065 ( -4.363 2.436 0.931) 5.083 10.570 ( -0.988 0.135 -1.999) 2.234 10.654 ( 10.445 8.838 23.472) 27.169 11.294 ( 7.545 -3.181 -21.257) 22.780 11.530 ( -24.580 -9.500 1.230) 26.381 16.361 ( 1.248 -2.428 1.015) 2.913 16.402 ( -1.562 -2.280 -2.777) 3.918 17.022 ( 0.642 -2.141 -0.350) 2.262 17.209 ( 0.117 -1.988 -0.231) 2.005 17.442 ( -1.235 0.387 0.490) 1.383 17.673 ( 1.354 6.395 5.887) 8.797 17.967 ( 0.382 3.380 0.597) 3.454 18.190 ( -7.655 6.163 -8.531) 13.014 ======================= Grid point 17 (13/250) ======================= q-point: (-0.11 0.11 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -0.000 12.471 0.000) 12.471 0.649 ( -0.000 18.040 0.000) 18.040 0.695 ( -0.000 18.857 0.000) 18.857 2.060 ( -0.000 1.792 0.000) 1.792 2.225 ( 0.000 -8.903 -0.000) 8.903 2.496 ( 0.000 -5.118 -0.000) 5.118 2.772 ( -0.000 4.456 0.000) 4.456 2.941 ( 0.000 -2.639 -0.000) 2.639 3.712 ( -0.000 8.331 0.000) 8.331 4.202 ( 0.000 -11.578 -0.000) 11.578 5.373 ( -0.000 7.513 0.000) 7.513 5.588 ( 0.000 -11.014 -0.000) 11.014 6.261 ( -0.000 5.656 0.000) 5.656 6.405 ( -0.000 3.195 0.000) 3.195 6.500 ( 0.000 -7.121 -0.000) 7.121 6.696 ( -0.000 0.571 0.000) 0.571 6.734 ( -0.000 0.052 0.000) 0.052 7.126 ( -0.000 4.082 0.000) 4.082 7.376 ( -0.000 11.971 0.000) 11.971 8.063 ( -0.000 0.078 0.000) 0.078 8.091 ( 0.000 -1.818 -0.000) 1.818 9.154 ( 0.000 -4.634 -0.000) 4.634 9.936 ( -0.000 5.488 0.000) 5.488 10.027 ( 0.000 -6.054 -0.000) 6.054 10.592 ( 0.000 -2.424 -0.000) 2.424 10.704 ( -0.000 3.146 0.000) 3.146 11.388 ( 0.000 -5.650 -0.000) 5.650 11.412 ( 0.000 -1.734 -0.000) 1.734 16.418 ( 0.000 -2.328 -0.000) 2.328 16.420 ( 0.000 -2.052 -0.000) 2.052 17.079 ( 0.000 -3.879 -0.000) 3.879 17.246 ( 0.000 -2.556 -0.000) 2.556 17.440 ( 0.000 -0.134 -0.000) 0.134 17.577 ( -0.000 7.158 0.000) 7.158 17.846 ( -0.000 10.008 0.000) 10.008 18.052 ( -0.000 0.760 0.000) 0.760 ======================= Grid point 20 (14/250) ======================= q-point: ( 0.22 0.22 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 11.460 -0.000 9.580) 14.937 0.934 ( 14.524 -0.000 13.738) 19.992 1.475 ( 24.091 -0.000 14.955) 28.356 1.776 ( -8.852 0.000 -0.449) 8.863 2.334 ( -9.050 0.000 2.077) 9.286 2.370 ( -1.656 0.000 -2.418) 2.931 2.667 ( -3.268 0.000 3.174) 4.556 2.849 ( -7.014 0.000 -2.412) 7.417 3.275 ( -5.369 0.000 -3.057) 6.178 4.637 ( 1.594 -0.000 -9.955) 10.081 4.717 ( -1.785 0.000 -5.540) 5.820 6.090 ( 6.695 -0.000 15.250) 16.655 6.193 ( -6.321 0.000 -4.735) 7.898 6.370 ( 12.627 -0.000 -12.357) 17.667 6.378 ( -8.967 0.000 7.269) 11.543 6.704 ( 1.350 -0.000 9.889) 9.981 7.267 ( 7.037 -0.000 4.800) 8.518 7.452 ( -0.636 0.000 9.378) 9.399 7.464 ( 15.408 -0.000 2.537) 15.615 7.887 ( -0.657 0.000 -3.019) 3.089 8.090 ( 1.930 -0.000 -3.542) 4.034 8.819 ( -14.593 0.000 -4.582) 15.295 9.514 ( -3.238 0.000 2.242) 3.938 9.908 ( 2.681 -0.000 -1.801) 3.230 9.936 ( -3.104 0.000 0.134) 3.107 10.681 ( 0.597 -0.000 -8.669) 8.690 11.435 ( 2.094 -0.000 -8.618) 8.869 13.101 ( -4.434 0.000 0.914) 4.527 16.322 ( -4.619 0.000 -0.533) 4.649 16.345 ( -1.783 0.000 -4.753) 5.077 17.175 ( 0.893 -0.000 -3.210) 3.332 17.258 ( 0.731 -0.000 7.541) 7.576 17.565 ( -2.497 0.000 2.341) 3.423 17.601 ( 1.821 -0.000 7.197) 7.424 17.739 ( 9.895 -0.000 -1.645) 10.031 19.038 ( -0.274 0.000 0.771) 0.819 ======================= Grid point 21 (15/250) ======================= q-point: ( 0.33 0.22 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 9.835 -4.471 6.896) 12.817 1.170 ( 12.948 -3.878 11.317) 17.628 1.630 ( -1.395 5.343 4.059) 6.853 1.795 ( 12.439 -1.818 8.274) 15.049 2.197 ( -10.850 5.277 3.422) 12.540 2.321 ( -3.384 0.652 -2.205) 4.091 2.630 ( -3.190 0.632 -0.700) 3.326 2.861 ( -6.021 -9.763 -1.349) 11.549 3.215 ( -3.184 0.908 -2.113) 3.927 4.558 ( -7.619 -5.592 -13.856) 16.772 4.737 ( 9.895 5.769 -1.092) 11.506 6.110 ( -2.944 0.773 -1.936) 3.608 6.173 ( 1.458 4.871 13.012) 13.970 6.339 ( -2.232 -1.389 3.114) 4.076 6.468 ( 10.793 -1.532 -7.374) 13.161 6.750 ( 3.586 2.953 10.254) 11.257 7.333 ( -0.609 -0.086 4.957) 4.995 7.437 ( 4.102 2.508 3.926) 6.207 7.650 ( 3.970 -3.630 -0.094) 5.380 7.880 ( 0.148 -0.600 -0.650) 0.897 8.127 ( 5.090 -2.076 0.081) 5.498 8.648 ( -14.356 -0.397 -6.506) 15.766 9.533 ( -2.405 -3.362 1.674) 4.460 9.889 ( 1.077 1.511 1.735) 2.540 9.984 ( 1.028 -4.284 -0.033) 4.405 10.665 ( -1.121 -3.531 -9.676) 10.361 11.404 ( 1.627 0.890 -9.152) 9.338 12.912 ( -2.535 16.154 2.218) 16.502 16.268 ( -3.752 0.353 0.514) 3.804 16.335 ( -2.023 -2.527 -5.108) 6.048 17.147 ( 1.664 2.824 -1.576) 3.637 17.273 ( 0.930 2.923 4.784) 5.682 17.512 ( -3.762 0.940 0.592) 3.923 17.694 ( 4.777 -1.397 7.752) 9.213 17.844 ( 6.018 -2.470 -2.891) 7.119 18.968 ( 1.590 7.637 3.531) 8.562 ======================= Grid point 22 (16/250) ======================= q-point: ( 0.44 0.22 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 5.195 -7.710 2.298) 9.576 1.416 ( 10.128 -4.828 7.747) 13.634 1.511 ( -1.356 7.015 4.925) 8.678 1.912 ( 1.128 5.508 5.416) 7.807 2.009 ( -1.977 5.250 3.157) 6.438 2.283 ( -3.730 -1.506 0.330) 4.036 2.587 ( -4.179 -1.586 -5.250) 6.895 3.016 ( -2.145 -12.262 0.923) 12.482 3.155 ( -2.335 1.634 -1.716) 3.327 4.570 ( -6.537 -9.941 -10.668) 15.980 4.688 ( 9.276 9.867 -2.150) 13.712 6.076 ( -3.324 -0.976 -0.077) 3.465 6.113 ( 2.468 8.466 9.080) 12.657 6.392 ( 1.291 -2.787 2.193) 3.774 6.561 ( 9.450 0.660 -2.566) 9.815 6.768 ( 5.002 4.987 8.976) 11.422 7.272 ( -10.894 1.212 2.340) 11.209 7.491 ( 6.034 0.573 0.403) 6.075 7.685 ( 1.210 -0.777 -2.203) 2.631 7.888 ( -0.697 -0.276 1.491) 1.669 8.250 ( 4.271 -2.835 -0.349) 5.138 8.501 ( -10.698 -2.824 -5.175) 12.215 9.575 ( -0.026 -2.628 -1.269) 2.919 9.916 ( 2.441 -0.732 4.950) 5.567 10.094 ( 1.003 -6.420 2.976) 7.147 10.698 ( -2.107 -6.927 -8.806) 11.400 11.361 ( 1.467 1.096 -8.880) 9.067 12.554 ( -1.408 23.790 3.600) 24.102 16.242 ( -2.618 -0.609 1.132) 2.916 16.335 ( -2.024 -2.444 -5.161) 6.058 17.105 ( 2.761 4.256 0.099) 5.075 17.230 ( -0.577 3.247 1.671) 3.697 17.471 ( -3.722 -0.227 0.775) 3.809 17.792 ( 5.330 0.100 5.813) 7.887 17.915 ( 2.674 -2.248 -2.469) 4.278 18.865 ( 2.436 8.573 3.416) 9.545 ======================= Grid point 23 (17/250) ======================= q-point: ( 0.56 0.22 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -7.906 -2.516 -2.985) 8.817 1.441 ( 8.268 3.517 4.124) 9.886 1.579 ( 5.076 5.078 7.049) 10.062 1.760 ( -3.754 3.054 3.528) 5.989 1.997 ( 2.468 1.378 1.183) 3.064 2.292 ( -0.722 -0.614 1.941) 2.160 2.564 ( -4.643 -4.676 -6.069) 8.958 3.090 ( 0.203 3.627 -0.292) 3.645 3.233 ( -2.571 -14.333 -0.002) 14.562 4.530 ( 3.340 10.935 -1.686) 11.558 4.706 ( -1.526 -11.309 -7.380) 13.590 6.006 ( 1.122 9.017 8.113) 12.181 6.097 ( 1.311 -1.240 -0.738) 1.950 6.461 ( 1.133 -2.516 1.412) 3.100 6.606 ( 6.530 3.375 0.747) 7.389 6.763 ( 5.874 5.503 5.447) 9.719 7.117 ( -12.569 2.754 0.158) 12.868 7.482 ( -0.230 2.971 -3.028) 4.248 7.757 ( 5.943 -3.615 -0.276) 6.962 7.901 ( -1.258 -1.575 2.172) 2.963 8.177 ( -6.771 4.885 -6.327) 10.476 8.571 ( -0.046 -9.384 0.797) 9.418 9.619 ( 2.805 -2.344 -3.141) 4.819 9.990 ( 1.020 -2.490 5.129) 5.791 10.250 ( 1.147 -7.239 7.719) 10.644 10.777 ( -1.028 -8.216 -7.888) 11.436 11.323 ( 1.168 0.658 -7.039) 7.165 12.106 ( -2.512 26.889 3.164) 27.191 16.245 ( -1.347 -1.504 1.245) 2.372 16.331 ( -1.807 -1.985 -4.517) 5.255 17.059 ( 2.294 4.356 1.212) 5.070 17.184 ( -0.735 1.163 -0.691) 1.539 17.446 ( -3.611 -0.756 0.803) 3.776 17.846 ( 4.540 2.039 4.691) 6.839 17.960 ( 0.973 -1.538 -1.373) 2.280 18.737 ( 1.054 9.740 0.679) 9.820 ======================= Grid point 24 (18/250) ======================= q-point: (-0.33 0.22 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -6.698 6.746 -1.923) 9.699 1.420 ( -2.150 10.366 3.332) 11.098 1.483 ( 4.302 8.220 1.067) 9.339 1.785 ( 4.736 -2.172 0.079) 5.211 2.051 ( -2.289 -6.054 1.955) 6.761 2.288 ( 2.117 1.986 0.317) 2.920 2.618 ( -2.698 -8.004 -2.799) 8.899 3.024 ( 0.248 4.173 -0.240) 4.188 3.462 ( -1.890 -14.805 -0.067) 14.926 4.336 ( 2.431 13.707 -0.535) 13.931 4.893 ( -1.604 -14.411 -3.801) 14.990 5.883 ( 2.538 10.772 4.859) 12.087 6.147 ( 0.881 -3.444 -0.146) 3.558 6.507 ( 0.264 -1.066 1.552) 1.901 6.578 ( 2.296 5.487 0.547) 5.973 6.759 ( 7.168 4.360 1.964) 8.616 6.939 ( -10.529 3.543 -0.747) 11.135 7.392 ( -1.391 4.507 -2.138) 5.179 7.880 ( 4.585 -2.026 -1.953) 5.380 7.925 ( -2.886 -1.904 -0.545) 3.500 7.996 ( -3.491 4.009 -0.458) 5.335 8.747 ( 0.604 -9.703 0.454) 9.733 9.695 ( 3.839 -3.927 -2.257) 5.937 10.051 ( -1.507 -2.460 2.662) 3.925 10.410 ( -0.176 -5.691 7.355) 9.302 10.898 ( 4.200 -7.329 -2.988) 8.960 11.297 ( 0.672 0.938 -5.427) 5.548 11.623 ( -5.831 23.652 1.218) 24.390 16.277 ( -0.217 -2.319 1.520) 2.782 16.330 ( -1.252 -1.795 -3.457) 4.091 17.018 ( 0.740 2.415 0.713) 2.625 17.172 ( 0.172 -0.368 -0.749) 0.852 17.430 ( -2.529 -0.659 0.513) 2.664 17.861 ( 3.523 3.751 4.811) 7.045 17.973 ( -0.625 -0.842 -1.915) 2.183 18.551 ( -0.663 11.593 -1.644) 11.728 ======================= Grid point 25 (19/250) ======================= q-point: (-0.22 0.22 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -0.000 10.045 0.000) 10.045 1.215 ( -0.000 13.817 0.000) 13.817 1.278 ( -0.000 14.571 0.000) 14.571 1.914 ( 0.000 -7.813 -0.000) 7.813 2.111 ( 0.000 -1.279 -0.000) 1.279 2.306 ( 0.000 -3.159 -0.000) 3.159 2.742 ( 0.000 -8.002 -0.000) 8.002 2.946 ( -0.000 4.929 0.000) 4.929 3.712 ( 0.000 -15.332 -0.000) 15.332 4.110 ( -0.000 13.544 0.000) 13.544 5.129 ( 0.000 -14.626 -0.000) 14.626 5.719 ( -0.000 11.321 0.000) 11.321 6.231 ( 0.000 -5.559 -0.000) 5.559 6.479 ( -0.000 6.459 0.000) 6.459 6.518 ( -0.000 0.660 0.000) 0.660 6.777 ( -0.000 2.778 0.000) 2.778 6.782 ( -0.000 3.567 0.000) 3.567 7.293 ( -0.000 5.105 0.000) 5.105 7.758 ( -0.000 9.542 0.000) 9.542 7.990 ( 0.000 -4.012 -0.000) 4.012 8.014 ( 0.000 -2.690 -0.000) 2.690 8.915 ( 0.000 -8.894 -0.000) 8.894 9.803 ( 0.000 -5.961 -0.000) 5.961 10.067 ( -0.000 0.090 0.000) 0.090 10.497 ( 0.000 -3.436 -0.000) 3.436 11.083 ( -0.000 19.650 0.000) 19.650 11.108 ( 0.000 -10.274 -0.000) 10.274 11.365 ( -0.000 0.945 0.000) 0.945 16.330 ( 0.000 -2.901 -0.000) 2.901 16.342 ( 0.000 -1.832 -0.000) 1.832 17.003 ( 0.000 -0.151 -0.000) 0.151 17.186 ( 0.000 -1.062 -0.000) 1.062 17.427 ( 0.000 -0.524 -0.000) 0.524 17.811 ( -0.000 5.756 0.000) 5.756 17.976 ( 0.000 -0.665 -0.000) 0.665 18.326 ( -0.000 12.538 0.000) 12.538 ======================= Grid point 30 (20/250) ======================= 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 5.342 -0.000 3.535) 6.406 1.313 ( 11.812 -0.000 10.112) 15.549 1.650 ( -3.398 0.000 3.604) 4.953 1.980 ( 13.482 -0.000 8.382) 15.876 2.167 ( -9.247 0.000 6.076) 11.064 2.241 ( -8.264 0.000 -4.786) 9.550 2.627 ( -8.417 0.000 -8.932) 12.273 2.691 ( 3.522 -0.000 5.906) 6.876 3.202 ( -1.030 0.000 -0.641) 1.213 4.378 ( -6.175 0.000 -11.656) 13.191 4.879 ( 9.058 -0.000 -2.692) 9.450 6.060 ( -2.899 0.000 -0.312) 2.916 6.283 ( -5.865 0.000 4.656) 7.489 6.307 ( 1.923 -0.000 7.557) 7.798 6.579 ( 16.537 -0.000 -3.992) 17.012 6.869 ( 5.095 -0.000 9.831) 11.073 7.295 ( -9.860 0.000 3.463) 10.451 7.510 ( 4.178 -0.000 2.829) 5.046 7.671 ( 4.090 -0.000 -2.907) 5.018 7.881 ( -0.091 0.000 2.249) 2.251 8.154 ( 4.252 -0.000 1.354) 4.462 8.473 ( -12.142 0.000 -7.953) 14.515 9.511 ( -0.005 0.000 4.771) 4.771 9.938 ( 1.850 -0.000 -1.946) 2.685 9.954 ( 2.547 -0.000 5.019) 5.629 10.557 ( -3.096 0.000 -12.550) 12.926 11.379 ( 0.259 -0.000 -8.589) 8.593 13.017 ( -4.194 0.000 0.774) 4.265 16.237 ( -3.363 0.000 0.325) 3.379 16.275 ( -1.130 0.000 -3.704) 3.873 17.165 ( 0.696 -0.000 -2.612) 2.703 17.366 ( 3.396 -0.000 5.583) 6.535 17.472 ( -4.733 0.000 0.287) 4.742 17.754 ( 3.541 -0.000 7.316) 8.128 17.875 ( 5.587 -0.000 -4.056) 6.904 19.048 ( -0.505 0.000 3.299) 3.337 ======================= Grid point 31 (21/250) ======================= q-point: ( 0.44 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.362 -3.943 0.338) 3.974 1.491 ( 9.777 -2.402 7.640) 12.638 1.625 ( 1.059 2.858 4.156) 5.154 2.008 ( -5.907 6.906 4.150) 9.991 2.116 ( 1.829 2.812 1.212) 3.567 2.183 ( -4.141 -4.017 3.236) 6.615 2.502 ( -5.755 -0.277 -9.269) 10.914 2.838 ( 3.634 -7.013 3.884) 8.802 3.182 ( -0.157 1.356 -0.057) 1.366 4.329 ( -4.502 -5.823 -8.439) 11.198 4.895 ( 6.324 5.607 -2.935) 8.947 6.053 ( -0.003 -0.249 1.813) 1.830 6.223 ( -3.183 2.672 3.521) 5.446 6.363 ( 0.433 -2.360 1.950) 3.092 6.721 ( 14.721 2.225 0.771) 14.908 6.931 ( 4.592 3.329 7.706) 9.568 7.183 ( -11.323 1.004 1.131) 11.423 7.554 ( 3.269 1.140 0.596) 3.513 7.684 ( 1.874 -0.695 -2.470) 3.177 7.873 ( -4.080 -0.042 2.998) 5.063 8.239 ( 3.407 -2.997 0.490) 4.564 8.337 ( -7.640 -1.092 -6.704) 10.223 9.551 ( 1.200 -1.261 3.253) 3.689 9.944 ( 1.534 -0.106 0.335) 1.574 10.055 ( 4.279 -3.693 6.742) 8.797 10.505 ( -4.464 -5.082 -12.201) 13.950 11.341 ( -0.138 0.274 -7.052) 7.059 12.868 ( -2.650 12.882 1.278) 13.213 16.213 ( -2.156 -0.373 0.664) 2.287 16.265 ( -1.012 -1.421 -3.120) 3.574 17.157 ( 1.007 0.558 -1.961) 2.274 17.352 ( 2.064 6.939 3.890) 8.218 17.431 ( -3.638 -0.163 0.449) 3.669 17.844 ( 3.423 -2.484 4.944) 6.506 17.905 ( 2.668 -0.561 -3.264) 4.252 19.014 ( 0.315 4.987 2.838) 5.746 ======================= Grid point 32 (22/250) ======================= q-point: ( 0.56 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -2.839 -3.760 -1.023) 4.821 1.561 ( 2.395 3.644 1.860) 4.741 1.707 ( 7.677 -4.240 3.438) 9.420 1.843 ( -1.627 8.880 6.669) 11.224 2.016 ( -6.556 3.434 -3.661) 8.257 2.282 ( 2.931 -3.258 6.358) 7.722 2.431 ( -4.417 -2.008 -8.439) 9.735 3.006 ( 0.412 -8.063 0.747) 8.108 3.159 ( 0.957 1.235 0.583) 1.668 4.405 ( -2.637 -9.986 -4.244) 11.166 4.800 ( 3.329 9.318 -1.701) 10.040 6.075 ( 0.782 -0.320 2.838) 2.961 6.156 ( -0.852 3.974 0.560) 4.103 6.421 ( 0.297 -3.199 0.380) 3.235 6.793 ( 10.394 5.689 2.429) 12.095 6.917 ( 2.038 4.572 3.494) 6.105 7.048 ( -9.132 2.540 -0.188) 9.480 7.528 ( 0.601 3.291 -1.330) 3.600 7.742 ( 2.879 -3.369 -0.172) 4.435 7.848 ( -4.204 -1.694 1.269) 4.706 8.183 ( -2.714 4.069 -4.433) 6.602 8.414 ( 0.212 -8.585 0.670) 8.614 9.597 ( 1.413 -1.684 0.038) 2.199 9.972 ( 0.244 -1.532 1.037) 1.866 10.218 ( 4.640 -4.966 8.094) 10.569 10.540 ( -4.150 -10.005 -8.787) 13.947 11.309 ( -0.005 0.293 -4.302) 4.311 12.545 ( -1.093 22.591 1.360) 22.658 16.214 ( -0.972 -1.216 0.721) 1.715 16.270 ( -0.752 -1.606 -2.247) 2.863 17.152 ( 1.905 0.958 -1.091) 2.395 17.235 ( -0.601 7.809 1.593) 7.992 17.409 ( -2.089 -0.453 0.462) 2.187 17.914 ( 2.928 -0.199 -0.584) 2.993 17.938 ( 0.296 -1.785 1.882) 2.611 18.911 ( 0.465 8.364 1.081) 8.447 ======================= Grid point 33 (23/250) ======================= 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.000 1.192 0.000) 1.192 1.514 ( -0.000 3.656 0.000) 3.656 1.697 ( -0.000 8.926 0.000) 8.926 1.831 ( -0.000 3.923 0.000) 3.923 1.921 ( 0.000 -5.595 -0.000) 5.595 2.342 ( -0.000 1.893 0.000) 1.893 2.454 ( 0.000 -7.473 -0.000) 7.473 3.074 ( -0.000 1.064 0.000) 1.064 3.233 ( 0.000 -9.971 -0.000) 9.971 4.521 ( -0.000 0.885 0.000) 0.885 4.688 ( 0.000 -1.695 -0.000) 1.695 6.058 ( -0.000 7.003 0.000) 7.003 6.106 ( 0.000 -1.751 -0.000) 1.751 6.476 ( 0.000 -2.724 -0.000) 2.724 6.725 ( -0.000 8.270 0.000) 8.270 6.892 ( -0.000 2.376 0.000) 2.376 6.918 ( -0.000 4.606 0.000) 4.606 7.459 ( -0.000 4.325 0.000) 4.325 7.832 ( 0.000 -4.625 -0.000) 4.625 7.869 ( 0.000 -2.706 -0.000) 2.706 8.069 ( -0.000 5.923 0.000) 5.923 8.578 ( 0.000 -9.833 -0.000) 9.833 9.645 ( 0.000 -3.052 -0.000) 3.052 10.008 ( 0.000 -2.168 -0.000) 2.168 10.348 ( 0.000 -4.707 -0.000) 4.707 10.701 ( 0.000 -12.611 -0.000) 12.611 11.295 ( -0.000 0.162 0.000) 0.162 12.091 ( -0.000 28.655 0.000) 28.655 16.240 ( 0.000 -2.065 -0.000) 2.065 16.287 ( 0.000 -1.512 -0.000) 1.512 17.100 ( -0.000 6.187 0.000) 6.187 17.163 ( 0.000 -0.323 -0.000) 0.323 17.407 ( 0.000 -0.545 -0.000) 0.545 17.941 ( 0.000 -1.056 -0.000) 1.056 17.944 ( -0.000 1.512 0.000) 1.512 18.746 ( -0.000 10.969 0.000) 10.969 ======================= Grid point 40 (24/250) ======================= q-point: ( 0.44 0.44 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.793 0.000 -0.077) 0.796 1.595 ( 8.051 -0.000 5.745) 9.891 1.668 ( 0.341 -0.000 1.846) 1.878 1.988 ( -8.726 0.000 -4.562) 9.847 2.140 ( -0.292 0.000 11.088) 11.092 2.191 ( 2.968 -0.000 2.009) 3.584 2.377 ( -6.046 0.000 -11.567) 13.051 2.861 ( 4.972 -0.000 4.049) 6.412 3.191 ( -0.121 0.000 0.012) 0.122 4.211 ( -2.578 0.000 -4.746) 5.401 4.981 ( 3.070 -0.000 -2.145) 3.745 6.073 ( 1.664 -0.000 2.148) 2.717 6.220 ( -2.460 0.000 0.868) 2.609 6.349 ( 0.007 -0.000 0.850) 0.850 6.885 ( 10.619 -0.000 1.562) 10.733 7.029 ( 2.644 -0.000 4.114) 4.890 7.097 ( -7.321 0.000 0.232) 7.325 7.601 ( 2.039 -0.000 0.982) 2.263 7.673 ( 0.753 -0.000 -2.130) 2.259 7.824 ( -6.702 0.000 2.073) 7.016 8.237 ( 1.901 -0.000 1.176) 2.235 8.257 ( -2.273 0.000 -5.249) 5.720 9.572 ( 1.136 -0.000 3.244) 3.437 9.950 ( 0.686 -0.000 -1.170) 1.357 10.112 ( 5.478 -0.000 9.947) 11.356 10.348 ( -5.363 0.000 -12.963) 14.029 11.315 ( -0.404 0.000 -3.805) 3.827 12.958 ( -1.784 0.000 0.384) 1.825 16.193 ( -1.186 0.000 0.272) 1.217 16.237 ( -0.348 0.000 -1.387) 1.430 17.159 ( 0.317 -0.000 -1.037) 1.084 17.400 ( -2.055 0.000 0.172) 2.062 17.466 ( 1.973 -0.000 2.523) 3.203 17.852 ( 1.377 -0.000 2.735) 3.062 17.909 ( 1.321 -0.000 -2.542) 2.865 19.068 ( -0.075 0.000 1.729) 1.730 ======================= Grid point 41 (25/250) ======================= q-point: (-0.44 -0.56 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 -2.718 -0.000) 2.718 1.642 ( -0.000 3.224 0.000) 3.224 1.686 ( 0.000 -2.938 -0.000) 2.938 1.928 ( 0.000 -0.081 -0.000) 0.081 2.062 ( -0.000 8.075 0.000) 8.075 2.304 ( 0.000 -4.734 -0.000) 4.734 2.306 ( 0.000 -0.862 -0.000) 0.862 2.924 ( 0.000 -3.157 -0.000) 3.157 3.183 ( -0.000 0.823 0.000) 0.823 4.239 ( 0.000 -5.932 -0.000) 5.932 4.943 ( -0.000 5.375 0.000) 5.375 6.087 ( -0.000 0.162 0.000) 0.162 6.195 ( -0.000 1.566 0.000) 1.566 6.372 ( 0.000 -2.332 -0.000) 2.332 6.943 ( -0.000 0.649 0.000) 0.649 6.998 ( -0.000 5.551 0.000) 5.551 7.041 ( -0.000 1.985 0.000) 1.985 7.586 ( -0.000 2.711 0.000) 2.711 7.701 ( 0.000 -2.587 -0.000) 2.587 7.796 ( 0.000 -1.117 -0.000) 1.117 8.215 ( -0.000 2.195 0.000) 2.195 8.297 ( 0.000 -5.178 -0.000) 5.178 9.589 ( 0.000 -0.409 -0.000) 0.409 9.956 ( 0.000 -0.710 -0.000) 0.710 10.217 ( 0.000 -2.248 -0.000) 2.248 10.323 ( 0.000 -7.210 -0.000) 7.210 11.302 ( -0.000 0.170 0.000) 0.170 12.844 ( -0.000 12.005 0.000) 12.005 16.193 ( 0.000 -0.635 -0.000) 0.635 16.240 ( 0.000 -0.912 -0.000) 0.912 17.158 ( 0.000 -0.032 -0.000) 0.032 17.388 ( -0.000 3.080 0.000) 3.080 17.401 ( -0.000 5.155 0.000) 5.155 17.904 ( 0.000 -3.219 -0.000) 3.219 17.913 ( 0.000 -0.457 -0.000) 0.457 19.031 ( -0.000 4.631 0.000) 4.631 ======================= Grid point 83 (26/250) ======================= q-point: ( 0.00 0.00 0.09) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 2.448 -0.000 18.179) 18.343 0.401 ( 3.675 -0.000 19.366) 19.711 0.674 ( 10.900 -0.000 31.912) 33.722 2.024 ( -1.219 0.000 -0.342) 1.266 2.412 ( -2.081 0.000 -2.104) 2.960 2.483 ( 1.515 -0.000 -4.086) 4.358 2.721 ( 1.267 -0.000 3.058) 3.310 2.989 ( -0.475 0.000 3.613) 3.644 3.591 ( -4.012 0.000 1.874) 4.428 4.410 ( 0.972 -0.000 -1.129) 1.489 5.114 ( -8.280 0.000 -11.065) 13.820 5.589 ( 14.136 -0.000 -16.028) 21.371 6.314 ( -11.675 0.000 11.184) 16.168 6.377 ( 2.316 -0.000 -3.425) 4.135 6.675 ( 3.260 -0.000 2.218) 3.942 6.683 ( 10.017 -0.000 -1.800) 10.178 6.898 ( -0.212 0.000 4.122) 4.128 6.962 ( 4.103 -0.000 -0.677) 4.159 7.265 ( 7.415 -0.000 12.908) 14.887 7.945 ( -2.418 0.000 -0.865) 2.569 8.144 ( -15.282 0.000 0.927) 15.310 9.148 ( 0.419 -0.000 -7.386) 7.398 9.580 ( 4.427 -0.000 -2.517) 5.093 9.889 ( -4.605 0.000 4.170) 6.213 10.116 ( -0.512 0.000 -2.893) 2.938 10.651 ( 5.644 -0.000 0.547) 5.670 11.461 ( -5.772 0.000 1.212) 5.897 12.410 ( 28.853 -0.000 -8.722) 30.142 16.436 ( -3.156 0.000 -2.054) 3.766 16.451 ( 3.969 -0.000 -1.582) 4.273 17.146 ( -0.162 0.000 -2.845) 2.850 17.271 ( 1.854 -0.000 -3.536) 3.993 17.458 ( 3.296 -0.000 7.260) 7.973 17.499 ( 4.805 -0.000 4.803) 6.794 17.687 ( 0.194 -0.000 -0.005) 0.194 18.911 ( -4.300 0.000 -0.697) 4.357 ======================= Grid point 84 (27/250) ======================= q-point: ( 0.11 0.00 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 6.066 -3.066 15.361) 16.797 0.621 ( 12.695 -4.523 15.739) 20.720 1.028 ( 12.752 -7.930 25.121) 29.267 1.994 ( -4.818 0.064 -0.624) 4.859 2.343 ( -0.078 4.688 -1.677) 4.980 2.467 ( -1.357 0.590 -4.078) 4.339 2.746 ( 0.187 -0.267 3.051) 3.069 3.011 ( -0.296 -0.748 3.990) 4.070 3.562 ( -9.271 -4.115 0.708) 10.168 4.381 ( 3.560 5.171 -0.903) 6.343 4.969 ( -10.892 -2.551 -15.237) 18.903 5.659 ( 15.742 2.773 -12.882) 20.529 6.244 ( -5.337 1.647 5.262) 7.674 6.366 ( -4.325 -2.508 0.019) 4.999 6.635 ( -4.082 3.994 3.797) 6.858 6.747 ( 1.022 0.005 1.150) 1.539 6.886 ( 12.720 5.691 5.094) 14.837 7.130 ( 8.129 -5.735 4.302) 10.838 7.471 ( 9.437 -6.429 12.424) 16.875 7.948 ( -3.625 -2.715 -4.916) 6.684 8.051 ( -4.376 -0.143 1.251) 4.553 9.073 ( -4.165 1.927 -8.642) 9.785 9.729 ( -3.075 -10.660 -9.038) 14.310 9.881 ( -1.970 -2.359 1.755) 3.539 10.072 ( -2.789 1.155 -2.507) 3.924 10.674 ( 0.504 0.883 2.733) 2.916 11.403 ( -3.560 0.699 -1.095) 3.790 12.438 ( 25.771 20.122 -9.034) 33.921 16.404 ( -2.258 -0.897 -3.494) 4.256 16.462 ( 0.169 1.248 0.344) 1.305 17.145 ( -2.248 -0.521 -2.860) 3.675 17.300 ( 4.890 -0.834 -3.714) 6.197 17.448 ( -2.289 6.931 10.385) 12.694 17.523 ( 5.534 0.557 3.107) 6.371 17.736 ( -1.227 -5.466 -0.227) 5.606 18.691 ( 8.691 17.812 12.511) 23.437 ======================= Grid point 85 (28/250) ======================= q-point: ( 0.22 0.00 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 7.557 -6.008 11.538) 15.044 0.922 ( 14.557 -6.349 12.175) 20.011 1.362 ( 9.565 -5.599 15.964) 19.435 1.899 ( -8.157 3.145 -0.817) 8.781 2.266 ( 1.911 4.264 -1.487) 4.904 2.393 ( -4.321 3.034 0.057) 5.280 2.764 ( -2.014 -1.893 1.065) 2.962 3.030 ( 1.093 1.490 3.892) 4.309 3.563 ( -12.545 -9.150 0.149) 15.528 4.306 ( 6.181 8.991 0.314) 10.915 4.871 ( -9.894 -7.450 -17.761) 21.653 5.684 ( 14.684 7.251 -7.337) 17.945 6.200 ( -0.715 1.010 -2.168) 2.496 6.372 ( -5.325 -3.127 1.733) 6.413 6.558 ( -3.638 1.932 6.265) 7.497 6.729 ( -1.600 2.481 5.268) 6.039 6.993 ( 15.235 1.890 3.381) 15.720 7.323 ( 7.234 -4.183 6.254) 10.437 7.761 ( 8.052 -9.166 10.550) 16.129 7.906 ( -3.541 -0.375 -4.495) 5.734 8.019 ( -2.373 0.729 -2.229) 3.337 8.930 ( -6.785 2.974 -9.442) 12.001 9.728 ( -7.250 -2.017 -7.067) 10.323 9.939 ( -3.442 -3.200 -2.139) 5.164 10.069 ( 2.447 -5.649 -0.526) 6.178 10.680 ( 1.469 0.789 1.951) 2.567 11.356 ( -2.676 0.247 -1.222) 2.952 12.265 ( 15.082 19.993 -3.143) 25.240 16.374 ( -1.734 0.574 -2.856) 3.390 16.435 ( -2.571 -0.046 0.576) 2.635 17.096 ( -2.687 1.555 -0.458) 3.138 17.301 ( -3.310 2.734 2.389) 4.913 17.402 ( 5.233 1.764 3.234) 6.399 17.604 ( 8.807 0.780 2.223) 9.117 17.821 ( -1.948 -6.317 -1.797) 6.850 18.621 ( 9.259 8.802 9.632) 15.999 ======================= Grid point 86 (29/250) ======================= q-point: ( 0.33 0.00 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 8.493 -6.091 8.932) 13.748 1.235 ( 13.677 -6.876 9.151) 17.835 1.533 ( 2.245 -0.848 5.732) 6.214 1.729 ( -5.405 6.696 -0.328) 8.612 2.161 ( -5.431 6.458 -0.438) 8.450 2.341 ( -0.420 0.535 4.998) 5.044 2.780 ( -4.168 -3.730 -1.327) 5.749 3.011 ( 1.832 4.132 2.986) 5.417 3.631 ( -12.575 -13.264 0.563) 18.286 4.201 ( 7.258 11.400 1.590) 13.608 4.872 ( -7.222 -12.088 -18.480) 23.233 5.649 ( 13.582 10.835 -2.611) 17.569 6.164 ( 0.191 0.970 -4.614) 4.719 6.382 ( -3.360 -2.202 2.532) 4.749 6.551 ( -1.256 -0.299 5.460) 5.610 6.688 ( -1.642 3.289 6.741) 7.679 7.144 ( 14.389 -0.026 1.682) 14.487 7.462 ( 1.904 -2.614 5.495) 6.376 7.836 ( -5.701 -0.825 -3.405) 6.692 7.892 ( -5.396 2.193 0.023) 5.825 8.100 ( 11.272 -6.473 4.262) 13.679 8.759 ( -7.270 3.001 -9.665) 12.460 9.645 ( -6.159 -0.523 -6.400) 8.897 9.934 ( -0.304 -0.383 2.349) 2.400 10.266 ( 4.055 -11.667 -2.894) 12.686 10.687 ( 1.460 1.084 1.501) 2.358 11.334 ( -1.216 -0.204 -0.237) 1.256 12.043 ( 5.739 16.641 -0.215) 17.604 16.327 ( -1.528 1.465 -1.477) 2.581 16.423 ( -2.746 -1.589 -0.488) 3.210 17.047 ( -2.177 1.288 1.427) 2.905 17.224 ( -1.893 3.317 2.386) 4.503 17.455 ( 3.906 -0.622 -0.075) 3.956 17.682 ( 8.051 1.818 2.891) 8.745 17.891 ( -1.988 -5.195 -2.282) 6.012 18.611 ( 5.072 5.483 4.421) 8.680 ======================= Grid point 87 (30/250) ======================= q-point: ( 0.44 0.00 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 6.641 0.450 7.420) 9.968 1.438 ( -1.870 -2.030 -1.683) 3.233 1.499 ( -3.670 0.912 1.115) 3.943 1.650 ( 11.124 4.128 4.163) 12.574 1.980 ( -7.661 5.289 4.011) 10.137 2.354 ( -1.096 0.734 4.097) 4.304 2.801 ( -5.253 -5.501 -2.592) 8.036 2.958 ( 2.026 5.212 1.637) 5.827 3.757 ( -9.054 -12.748 1.767) 15.735 4.082 ( 5.411 10.303 2.059) 11.818 4.965 ( -4.439 -14.602 -17.834) 23.473 5.570 ( 12.597 12.932 0.364) 18.057 6.144 ( 0.419 -0.712 -3.029) 3.140 6.402 ( 0.489 -0.873 0.902) 1.347 6.562 ( 1.045 2.323 4.353) 5.043 6.650 ( -3.065 1.599 7.265) 8.046 7.282 ( 10.534 0.051 -1.361) 10.622 7.463 ( -8.429 1.218 1.349) 8.622 7.738 ( -5.744 0.651 -1.731) 6.034 7.873 ( 3.367 -0.590 0.865) 3.526 8.270 ( -0.240 -1.421 0.053) 1.442 8.643 ( 0.586 -0.907 -6.284) 6.376 9.581 ( -3.536 -1.378 -5.368) 6.574 9.983 ( 4.657 -0.296 5.927) 7.544 10.447 ( 7.729 -1.668 -8.428) 11.556 10.728 ( -5.405 -8.367 7.451) 12.440 11.312 ( 1.001 3.303 -1.788) 3.887 11.840 ( -2.322 7.507 2.151) 8.147 16.288 ( -0.410 1.008 -1.113) 1.556 16.426 ( -3.086 -2.494 -0.712) 4.032 17.019 ( -1.193 1.032 2.347) 2.828 17.180 ( -1.139 0.767 1.028) 1.715 17.492 ( 2.114 -0.153 -0.487) 2.174 17.728 ( 6.391 3.135 3.576) 7.966 17.943 ( -1.713 -3.943 -1.325) 4.499 18.554 ( 0.286 5.128 -1.839) 5.456 ======================= Grid point 88 (31/250) ======================= q-point: (-0.44 0.00 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -4.595 12.328 0.347) 13.161 1.343 ( -5.237 10.741 -0.989) 11.990 1.492 ( -4.754 -4.798 -0.165) 6.756 1.699 ( 3.532 3.308 6.910) 8.436 1.985 ( 8.719 -3.672 2.768) 9.857 2.322 ( -3.901 1.015 2.319) 4.650 2.837 ( -4.159 -4.991 -3.580) 7.418 2.898 ( 1.787 3.969 1.638) 4.651 3.845 ( 4.299 4.283 4.929) 7.818 4.024 ( -6.780 -6.539 -0.122) 9.420 5.111 ( -2.353 -14.815 -16.947) 22.633 5.473 ( 11.787 13.141 2.679) 17.855 6.175 ( 1.547 -2.862 -2.097) 3.871 6.428 ( 3.803 0.494 -0.655) 3.891 6.520 ( 2.084 5.949 2.911) 6.943 6.640 ( -4.392 -0.491 8.144) 9.266 7.272 ( -11.445 3.421 -2.238) 12.153 7.327 ( -0.652 2.627 -3.724) 4.603 7.731 ( 1.960 -0.770 -2.016) 2.915 7.943 ( 3.928 -1.197 3.822) 5.609 8.153 ( -9.366 3.411 -4.185) 10.811 8.751 ( 8.252 -5.139 -2.410) 10.016 9.582 ( 0.830 -2.773 -3.773) 4.756 10.078 ( 7.301 0.254 6.719) 9.925 10.402 ( 8.315 9.658 -8.011) 15.053 10.904 ( -10.525 -12.026 13.392) 20.851 11.202 ( -1.618 4.433 -9.215) 10.353 11.800 ( -4.957 -5.289 3.974) 8.266 16.280 ( 1.168 -0.127 -0.527) 1.288 16.437 ( -3.753 -3.067 -0.971) 4.944 17.008 ( -0.049 0.638 2.613) 2.690 17.184 ( -1.075 -1.937 0.716) 2.328 17.498 ( 0.618 1.029 0.071) 1.203 17.734 ( 4.399 4.416 3.658) 7.227 17.979 ( -1.011 -1.911 0.065) 2.163 18.425 ( -4.569 4.264 -7.506) 9.767 ======================= Grid point 89 (32/250) ======================= q-point: (-0.33 0.00 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -6.141 13.168 -1.419) 14.598 1.056 ( -6.456 14.556 0.509) 15.932 1.327 ( -15.963 8.759 3.735) 18.587 1.836 ( 8.901 -5.225 4.074) 11.096 2.146 ( 8.361 -1.687 -2.114) 8.788 2.307 ( -1.944 -3.364 2.665) 4.712 2.806 ( 1.048 3.632 -2.463) 4.511 2.918 ( -1.992 -3.992 0.894) 4.550 3.774 ( 8.046 11.466 5.600) 15.085 4.134 ( -9.703 -13.710 -0.667) 16.809 5.253 ( -0.321 -10.408 -17.181) 20.091 5.403 ( 10.623 8.731 4.640) 14.512 6.251 ( 3.322 -4.004 -2.646) 5.837 6.437 ( 0.998 5.929 0.402) 6.026 6.458 ( 4.929 0.857 -1.062) 5.114 6.639 ( -3.802 0.462 9.850) 10.569 7.065 ( -14.201 2.495 -1.383) 14.485 7.244 ( -2.137 3.286 -4.641) 6.075 7.656 ( -4.590 7.232 -5.206) 10.024 8.014 ( 2.760 0.042 4.540) 5.314 8.066 ( -1.727 -2.825 -0.947) 3.444 8.912 ( 8.021 -4.944 -3.341) 9.997 9.657 ( 6.399 -3.035 -2.918) 7.660 10.152 ( 0.883 1.239 4.734) 4.972 10.275 ( 13.342 12.031 -4.163) 18.441 10.903 ( -6.095 5.763 2.820) 8.849 11.189 ( -11.817 -14.011 -2.990) 18.571 11.910 ( -7.298 -11.020 4.147) 13.853 16.313 ( 2.226 -1.635 0.352) 2.784 16.445 ( -4.027 -3.003 -1.108) 5.144 17.024 ( 1.070 -0.517 2.992) 3.219 17.224 ( -1.455 -3.609 0.570) 3.933 17.473 ( 0.105 2.534 1.512) 2.953 17.696 ( 1.800 5.489 2.277) 6.210 17.953 ( 0.391 5.625 -2.083) 6.011 18.298 ( -9.591 -3.923 -6.369) 12.163 ======================= Grid point 90 (33/250) ======================= q-point: (-0.22 0.00 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -5.158 11.661 1.318) 12.819 0.730 ( -6.414 15.779 2.922) 17.281 0.981 ( -16.921 13.363 9.204) 23.443 1.998 ( 6.732 -0.522 2.891) 7.345 2.226 ( 1.341 -6.349 -2.916) 7.114 2.406 ( 4.534 -3.429 0.013) 5.684 2.744 ( 1.148 3.487 -1.263) 3.882 2.965 ( -0.962 -2.295 1.492) 2.901 3.692 ( 5.351 8.484 4.891) 11.159 4.265 ( -6.353 -10.974 -0.732) 12.701 5.271 ( 4.016 2.082 -8.659) 9.770 5.457 ( 5.694 -3.272 -5.993) 8.890 6.318 ( 4.328 3.248 -2.164) 5.827 6.384 ( 0.327 -3.362 -2.414) 4.152 6.485 ( 1.745 0.253 1.877) 2.575 6.633 ( -0.449 2.530 9.053) 9.410 6.908 ( -11.797 -0.799 -0.679) 11.844 7.144 ( -2.801 3.095 -2.610) 4.924 7.419 ( -5.156 10.367 -1.910) 11.735 8.030 ( 1.150 1.548 1.844) 2.669 8.138 ( -0.305 -4.627 1.197) 4.789 9.049 ( 7.041 -3.847 -4.894) 9.398 9.773 ( 12.595 -0.069 -4.313) 13.313 10.059 ( -4.497 5.091 1.451) 6.946 10.263 ( 14.732 8.547 -2.625) 17.233 10.727 ( -6.877 3.651 -10.272) 12.889 11.316 ( -10.736 -12.805 4.922) 17.420 12.029 ( -14.696 -12.663 5.512) 20.167 16.375 ( 0.966 -3.117 -0.627) 3.323 16.452 ( -2.508 -2.107 0.553) 3.322 17.085 ( 2.872 -2.684 4.870) 6.259 17.270 ( -2.442 -3.512 -0.756) 4.344 17.434 ( 1.652 4.098 3.413) 5.583 17.577 ( -3.134 7.575 -4.611) 9.405 17.803 ( 2.490 8.903 -2.693) 9.629 18.337 ( -13.569 -14.415 4.065) 20.210 ======================= Grid point 91 (34/250) ======================= q-point: (-0.11 0.00 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -1.667 5.051 12.721) 13.788 0.447 ( -7.439 10.218 11.710) 17.231 0.668 ( -5.732 14.718 21.923) 27.020 2.031 ( 1.824 1.113 0.414) 2.176 2.363 ( 0.479 -7.253 -1.396) 7.401 2.478 ( 4.332 -0.231 -3.755) 5.737 2.709 ( 1.044 1.514 0.951) 2.070 2.986 ( -0.242 0.223 2.618) 2.639 3.633 ( 1.014 4.425 3.344) 5.638 4.367 ( -2.276 -6.045 -0.873) 6.518 5.219 ( -1.224 1.637 -7.523) 7.796 5.528 ( 8.506 -1.724 -13.903) 16.390 6.298 ( 3.133 0.281 1.228) 3.377 6.404 ( -8.640 0.132 7.360) 11.350 6.556 ( 9.779 -2.485 -1.347) 10.179 6.636 ( 3.643 1.919 3.235) 5.237 6.851 ( -8.317 -4.490 0.267) 9.455 7.052 ( -2.603 4.032 -2.012) 5.203 7.235 ( 1.813 8.165 7.478) 11.219 8.002 ( 0.097 2.843 -0.530) 2.894 8.210 ( -6.356 -6.303 0.471) 8.964 9.136 ( 4.715 -1.824 -6.527) 8.256 9.801 ( 15.369 14.137 -14.880) 25.642 9.950 ( -3.790 3.804 1.494) 5.574 10.166 ( -1.903 5.430 -7.193) 9.211 10.604 ( 0.501 0.205 -5.802) 5.827 11.445 ( -4.922 -7.514 5.227) 10.393 12.124 ( -13.461 -14.114 10.950) 22.367 16.415 ( -0.584 -2.628 -3.218) 4.195 16.470 ( -1.145 -0.554 1.350) 1.855 17.218 ( 1.950 -1.754 4.730) 5.408 17.271 ( -0.034 0.224 -2.410) 2.420 17.332 ( 0.146 3.397 -3.758) 5.068 17.462 ( 2.810 2.945 5.582) 6.909 17.713 ( 2.385 4.527 0.664) 5.160 18.580 ( -15.779 -28.209 14.230) 35.316 ======================= Grid point 93 (35/250) ======================= q-point: ( 0.11 0.11 0.09) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 6.726 -0.000 14.839) 16.292 0.801 ( 15.057 -0.000 15.350) 21.502 1.245 ( 17.883 -0.000 24.009) 29.938 1.938 ( -6.369 0.000 0.117) 6.370 2.370 ( -0.528 0.000 -1.620) 1.704 2.435 ( -2.147 0.000 -3.897) 4.449 2.767 ( -0.933 0.000 4.925) 5.013 2.997 ( -3.403 0.000 4.933) 5.993 3.417 ( -11.615 0.000 -1.211) 11.678 4.448 ( 4.080 -0.000 -6.161) 7.389 4.766 ( -10.981 0.000 -12.767) 16.840 5.805 ( 19.122 -0.000 -14.041) 23.723 6.262 ( -6.081 0.000 -4.629) 7.643 6.268 ( -2.280 0.000 10.682) 10.922 6.635 ( -7.252 0.000 3.769) 8.173 6.766 ( 1.210 -0.000 3.496) 3.700 7.147 ( 9.436 -0.000 5.064) 10.709 7.165 ( 16.452 -0.000 5.390) 17.313 7.556 ( 6.290 -0.000 14.199) 15.530 7.875 ( -2.190 0.000 -3.108) 3.802 8.018 ( -1.552 0.000 -1.334) 2.047 8.983 ( -8.363 0.000 -9.223) 12.450 9.614 ( -1.977 0.000 2.298) 3.031 9.862 ( 0.550 -0.000 1.055) 1.189 10.028 ( -4.355 0.000 -2.124) 4.845 10.664 ( -4.020 0.000 1.668) 4.352 11.364 ( -2.714 0.000 -3.066) 4.094 12.788 ( 20.455 -0.000 -27.059) 33.921 16.340 ( -2.946 0.000 -4.142) 5.083 16.458 ( -4.351 0.000 1.935) 4.762 17.126 ( 0.556 -0.000 -2.704) 2.761 17.337 ( 2.845 -0.000 -2.737) 3.948 17.526 ( 3.377 -0.000 3.307) 4.726 17.606 ( 2.644 -0.000 7.118) 7.593 17.672 ( -1.285 0.000 3.148) 3.401 18.966 ( 5.030 -0.000 -0.694) 5.077 ======================= Grid point 94 (36/250) ======================= q-point: ( 0.22 0.11 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 7.575 -3.079 11.915) 14.451 1.047 ( 14.071 -3.192 13.793) 19.961 1.526 ( 15.609 0.121 16.949) 23.042 1.861 ( -6.987 1.205 1.429) 7.233 2.328 ( -0.868 3.104 -1.858) 3.721 2.388 ( -3.112 0.884 -0.656) 3.301 2.740 ( -4.500 1.937 3.927) 6.279 3.021 ( -4.187 -4.608 5.383) 8.230 3.314 ( -11.602 -2.779 -2.422) 12.173 4.430 ( 1.838 -0.533 -13.056) 13.196 4.641 ( -4.318 0.697 -7.064) 8.308 5.913 ( 18.711 3.750 -11.554) 22.308 6.176 ( -4.137 0.134 -4.641) 6.219 6.322 ( -0.421 -1.130 9.340) 9.417 6.563 ( -6.541 1.124 5.545) 8.649 6.790 ( 1.818 1.631 5.412) 5.937 7.220 ( 12.641 3.890 5.110) 14.179 7.376 ( 9.518 -1.893 5.469) 11.139 7.712 ( -0.923 -5.835 10.120) 11.718 7.856 ( -0.376 -1.318 -2.075) 2.487 8.010 ( 2.632 -0.234 -2.806) 3.854 8.829 ( -11.043 1.070 -9.573) 14.654 9.610 ( -4.619 -1.444 -0.526) 4.868 9.893 ( 1.188 -1.210 1.646) 2.363 10.006 ( -1.067 -2.693 0.459) 2.933 10.644 ( -4.273 -2.869 -0.736) 5.199 11.323 ( -1.740 0.227 -3.544) 3.955 12.706 ( 14.328 15.315 -18.459) 27.939 16.311 ( -2.426 -1.709 -4.615) 5.487 16.408 ( -5.689 0.419 2.343) 6.167 17.106 ( 0.273 1.621 -2.193) 2.741 17.322 ( -0.348 1.900 0.514) 1.998 17.533 ( 3.351 4.363 3.464) 6.501 17.690 ( 2.909 -5.131 -2.492) 6.403 17.720 ( 2.984 -0.314 8.440) 8.958 18.912 ( 5.923 9.560 2.285) 11.475 ======================= Grid point 95 (37/250) ======================= q-point: ( 0.33 0.11 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 7.427 -5.799 7.817) 12.243 1.311 ( 11.773 -4.800 11.377) 17.061 1.627 ( 0.319 5.719 7.053) 9.086 1.813 ( 4.620 2.760 4.293) 6.884 2.209 ( -6.349 6.075 0.472) 8.799 2.364 ( -0.925 0.113 4.122) 4.226 2.672 ( -7.433 -0.827 -0.179) 7.482 3.085 ( 0.703 -0.617 3.921) 4.032 3.273 ( -13.508 -9.775 -1.219) 16.718 4.418 ( 5.103 0.006 -11.591) 12.664 4.572 ( -2.649 -1.048 -7.877) 8.376 5.947 ( 15.366 7.740 -6.392) 18.354 6.127 ( -2.041 -0.365 -5.518) 5.895 6.373 ( 0.269 -0.482 7.730) 7.750 6.542 ( -2.387 -1.204 5.623) 6.226 6.791 ( 2.302 4.008 6.965) 8.359 7.313 ( 11.649 2.226 3.163) 12.274 7.465 ( -0.276 -0.134 4.405) 4.415 7.728 ( -8.196 -1.663 -1.443) 8.487 7.883 ( 0.262 -0.219 0.225) 0.408 8.123 ( 9.244 -4.870 2.534) 10.751 8.650 ( -11.161 0.673 -9.616) 14.747 9.563 ( -3.529 0.129 -4.297) 5.562 9.940 ( 1.653 -1.481 4.940) 5.416 10.118 ( 2.218 -8.129 1.991) 8.658 10.661 ( -3.181 -3.838 -3.023) 5.829 11.299 ( -1.329 -0.850 -1.212) 1.990 12.442 ( 8.950 20.718 -10.500) 24.892 16.296 ( -1.971 -1.199 -3.989) 4.608 16.362 ( -4.890 -0.734 1.167) 5.080 17.066 ( 0.359 2.221 -0.898) 2.422 17.272 ( -1.483 3.227 1.307) 3.785 17.513 ( 1.667 2.021 1.933) 3.256 17.779 ( 0.276 -3.414 1.600) 3.780 17.809 ( 7.020 -0.507 2.604) 7.505 18.816 ( 4.808 9.260 2.146) 10.652 ======================= Grid point 96 (38/250) ======================= q-point: ( 0.44 0.11 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 5.154 -7.693 2.876) 9.696 1.446 ( -2.852 7.666 2.456) 8.540 1.548 ( 4.069 0.631 8.621) 9.554 1.849 ( 9.882 4.109 4.090) 11.457 2.021 ( -8.450 6.665 5.151) 11.931 2.373 ( -2.028 0.741 4.641) 5.119 2.630 ( -7.420 -4.647 -3.391) 9.389 3.063 ( 1.424 4.224 -0.014) 4.458 3.384 ( -10.800 -15.737 2.392) 19.236 4.371 ( 8.900 10.682 -2.152) 14.069 4.605 ( -3.143 -12.550 -15.072) 19.863 5.908 ( 12.377 10.750 -3.023) 16.670 6.100 ( -1.230 -1.101 -2.782) 3.235 6.420 ( 1.312 -0.994 3.912) 4.244 6.587 ( 0.945 -1.165 5.747) 5.940 6.759 ( 2.162 6.033 6.991) 9.484 7.369 ( -1.390 2.139 -1.294) 2.860 7.415 ( -3.057 2.248 1.309) 4.014 7.676 ( -1.894 -1.495 -2.144) 3.227 7.909 ( 3.193 -0.384 2.474) 4.057 8.239 ( -2.372 -0.024 -1.856) 3.012 8.557 ( -1.962 -4.754 -5.541) 7.560 9.520 ( -0.219 -0.521 -5.114) 5.145 10.026 ( 2.834 -2.344 6.360) 7.346 10.329 ( 3.580 -11.004 2.556) 11.851 10.663 ( -2.637 -1.584 -4.956) 5.833 11.321 ( -0.809 -2.206 3.427) 4.155 12.094 ( 2.431 21.309 -6.166) 22.316 16.279 ( -0.915 -0.407 -2.337) 2.542 16.343 ( -4.048 -2.079 -0.648) 4.596 17.035 ( 0.366 1.596 0.408) 1.687 17.206 ( -1.421 2.690 0.654) 3.112 17.510 ( -0.242 0.229 0.929) 0.987 17.836 ( 0.950 -0.918 4.525) 4.713 17.887 ( 5.432 -0.406 -0.264) 5.454 18.695 ( 2.199 9.478 -1.245) 9.809 ======================= Grid point 97 (39/250) ======================= q-point: (-0.44 0.11 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -8.933 9.686 -0.742) 13.197 1.361 ( 1.745 -0.862 -3.124) 3.681 1.553 ( 4.167 7.368 10.316) 13.344 1.795 ( -5.262 5.398 5.012) 9.053 2.035 ( 9.051 -3.694 5.612) 11.272 2.317 ( -4.756 2.815 1.442) 5.712 2.662 ( -4.611 -7.382 -2.612) 9.087 2.996 ( 1.159 4.522 -0.922) 4.758 3.578 ( -8.104 -15.992 2.694) 18.130 4.238 ( 6.846 12.961 0.576) 14.669 4.770 ( 0.605 -14.862 -14.618) 20.855 5.809 ( 9.139 11.965 -1.013) 15.090 6.122 ( 0.712 -2.756 -1.349) 3.150 6.465 ( 1.971 -0.731 1.362) 2.505 6.638 ( 0.925 -0.088 6.626) 6.691 6.687 ( 1.824 7.533 4.442) 8.933 7.192 ( -14.173 3.960 -0.884) 14.742 7.366 ( 0.376 3.452 -3.971) 5.275 7.736 ( 5.493 -2.133 -1.283) 6.031 7.965 ( 1.004 -1.451 2.490) 3.052 8.105 ( -7.872 3.825 -2.700) 9.159 8.681 ( 3.625 -7.913 -3.605) 9.421 9.546 ( 4.190 -2.491 -3.667) 6.099 10.116 ( 0.653 -2.639 4.507) 5.264 10.549 ( 12.058 -2.179 -12.814) 17.730 10.647 ( -9.253 -7.739 10.078) 15.718 11.339 ( 1.127 6.208 4.201) 7.580 11.756 ( -5.961 9.838 -0.834) 11.533 16.278 ( 0.877 -0.708 -1.554) 1.920 16.341 ( -3.674 -2.671 -0.865) 4.624 17.021 ( -0.163 0.724 1.320) 1.514 17.169 ( -0.528 0.472 0.133) 0.721 17.502 ( -1.985 -0.164 0.823) 2.155 17.865 ( 2.050 2.629 6.055) 6.912 17.935 ( 2.150 -1.533 -1.938) 3.275 18.516 ( -0.025 10.748 -4.694) 11.728 ======================= Grid point 98 (40/250) ======================= q-point: (-0.33 0.11 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -5.567 12.413 0.257) 13.606 1.213 ( -5.531 10.410 -5.277) 12.915 1.440 ( -4.998 12.769 13.695) 19.380 1.826 ( 5.903 -6.038 1.771) 8.628 2.215 ( -1.867 3.510 -0.944) 4.086 2.226 ( 3.582 -6.180 3.633) 8.014 2.750 ( -1.447 -6.811 -1.699) 7.167 2.928 ( 0.869 3.996 -0.282) 4.099 3.787 ( -6.095 -15.254 1.989) 16.546 4.079 ( 4.415 12.696 2.272) 13.632 4.981 ( 3.817 -13.663 -13.697) 19.719 5.680 ( 5.373 10.987 -0.700) 12.250 6.194 ( 2.159 -4.323 -1.342) 5.015 6.495 ( 1.496 0.034 0.902) 1.747 6.566 ( -1.880 7.220 2.653) 7.918 6.679 ( 2.961 1.167 4.682) 5.662 6.982 ( -12.408 3.798 0.186) 12.978 7.280 ( -0.272 4.325 -2.811) 5.166 7.735 ( 0.456 6.507 -3.386) 7.350 7.982 ( -1.729 -3.792 -1.728) 4.511 8.053 ( 0.399 -0.164 4.967) 4.986 8.838 ( 3.845 -7.881 -4.998) 10.093 9.657 ( 8.052 -4.309 -2.014) 9.352 10.148 ( -3.875 -0.817 1.171) 4.129 10.512 ( 6.013 4.231 -13.402) 15.287 10.862 ( -0.817 -12.100 8.703) 14.927 11.085 ( -1.839 18.321 -3.898) 18.821 11.710 ( -9.353 -6.746 11.980) 16.629 16.303 ( 1.391 -1.426 -2.405) 3.122 16.359 ( -1.886 -2.901 1.289) 3.692 17.022 ( -0.618 -0.712 1.901) 2.122 17.178 ( 0.224 -1.335 0.279) 1.382 17.483 ( -2.897 -0.092 1.162) 3.123 17.820 ( -0.195 5.935 0.871) 6.002 17.976 ( 0.300 -1.978 0.089) 2.002 18.300 ( 0.039 10.850 -3.534) 11.411 ======================= Grid point 99 (41/250) ======================= q-point: (-0.22 0.11 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.398 12.561 3.611) 13.076 0.902 ( -8.348 13.898 -3.289) 16.543 1.213 ( -2.602 15.178 16.413) 22.506 2.028 ( 6.684 -7.499 1.199) 10.117 2.124 ( -5.485 0.702 -1.900) 5.847 2.376 ( 3.382 -4.873 0.270) 5.938 2.804 ( 1.670 1.318 -2.816) 3.529 2.910 ( -0.409 -2.559 2.789) 3.807 3.908 ( -0.384 9.729 1.991) 9.938 4.004 ( -1.673 -12.420 2.495) 12.778 5.174 ( 6.364 -8.679 -15.114) 18.554 5.541 ( 0.319 6.848 -2.079) 7.164 6.289 ( -0.130 -4.929 -2.763) 5.652 6.442 ( 1.941 6.075 0.896) 6.440 6.508 ( -0.861 0.092 4.423) 4.507 6.702 ( 2.355 1.271 2.485) 3.652 6.821 ( -8.629 2.329 1.647) 9.089 7.196 ( 0.921 4.749 -0.050) 4.838 7.582 ( 2.281 10.046 1.512) 10.412 8.033 ( -0.844 -3.037 -2.353) 3.934 8.081 ( -0.837 -0.846 3.281) 3.490 8.981 ( 3.456 -6.791 -6.255) 9.858 9.827 ( 10.048 -5.004 -2.144) 11.428 10.073 ( -6.151 3.005 -0.313) 6.853 10.435 ( 2.205 3.988 -16.096) 16.729 10.722 ( -7.432 9.701 -9.289) 15.350 11.129 ( 7.776 -8.131 8.187) 13.914 11.798 ( -11.469 -6.944 19.210) 23.426 16.331 ( 1.046 -2.145 -3.054) 3.876 16.413 ( 0.512 -2.443 3.211) 4.067 17.062 ( -0.205 -3.363 3.641) 4.961 17.211 ( 0.225 -1.841 0.445) 1.907 17.464 ( -2.413 -0.423 1.790) 3.034 17.652 ( -4.583 8.503 -8.024) 12.557 17.967 ( 0.850 4.822 -1.015) 5.001 18.188 ( 1.719 2.163 8.320) 8.767 ======================= Grid point 100 (42/250) ======================= q-point: (-0.11 0.11 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 7.080 11.559 6.291) 14.943 0.611 ( -3.177 10.191 9.992) 14.622 1.041 ( 4.232 14.330 20.584) 25.436 2.049 ( -3.748 1.013 -0.948) 3.997 2.222 ( 2.059 -8.361 -0.784) 8.646 2.460 ( 0.490 -3.036 -2.831) 4.180 2.761 ( 1.110 2.899 -0.292) 3.118 2.980 ( 0.392 -2.407 3.194) 4.019 3.735 ( -4.515 8.109 2.239) 9.548 4.214 ( 1.247 -10.482 1.128) 10.616 5.178 ( -3.015 3.101 -15.703) 16.288 5.521 ( 7.210 -3.537 -7.556) 11.026 6.274 ( -5.884 -0.333 0.189) 5.896 6.423 ( 1.427 2.477 1.095) 3.062 6.564 ( 0.308 -4.297 6.749) 8.007 6.714 ( 6.369 1.700 -0.506) 6.611 6.754 ( -4.088 -1.116 2.992) 5.188 7.143 ( 4.092 4.962 2.787) 7.010 7.479 ( 7.497 9.811 8.040) 14.734 8.029 ( -1.577 0.351 -4.425) 4.710 8.086 ( -4.449 -1.151 1.835) 4.948 9.072 ( 0.622 -4.461 -7.519) 8.765 9.938 ( -5.378 0.307 -5.303) 7.559 9.985 ( 7.474 2.750 -1.943) 8.197 10.168 ( -8.864 8.987 -20.371) 23.964 10.616 ( 1.621 -0.916 1.474) 2.375 11.359 ( 6.209 -5.478 -0.164) 8.281 11.947 ( 0.515 -10.898 21.193) 23.837 16.380 ( 2.527 -2.598 -1.993) 4.136 16.457 ( -0.357 -0.726 1.142) 1.400 17.157 ( -2.511 -4.683 3.781) 6.521 17.264 ( 2.889 -3.291 3.802) 5.799 17.409 ( -3.912 7.185 -8.636) 11.896 17.474 ( 0.846 -0.489 1.873) 2.113 17.856 ( 0.545 7.326 -0.426) 7.359 18.318 ( 4.125 -6.938 17.441) 19.218 ======================= Grid point 103 (43/250) ======================= q-point: ( 0.22 0.22 0.09) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 5.845 -0.000 9.379) 11.051 1.218 ( 12.210 -0.000 13.790) 18.418 1.780 ( 16.465 -0.000 13.586) 21.347 1.807 ( -6.709 0.000 3.287) 7.471 2.342 ( -2.503 0.000 0.034) 2.503 2.348 ( -3.516 0.000 -1.294) 3.746 2.762 ( -3.375 0.000 5.735) 6.655 2.854 ( -15.886 0.000 4.007) 16.384 3.218 ( -3.545 0.000 -2.645) 4.423 4.289 ( -4.223 0.000 -20.187) 20.624 4.681 ( 5.871 -0.000 -1.396) 6.035 6.084 ( 18.988 -0.000 -14.137) 23.673 6.106 ( -4.529 0.000 -3.284) 5.594 6.384 ( 3.349 -0.000 11.717) 12.186 6.514 ( -8.435 0.000 5.616) 10.133 6.864 ( 4.281 -0.000 5.775) 7.189 7.372 ( 7.036 -0.000 5.288) 8.801 7.507 ( 10.589 -0.000 1.247) 10.662 7.648 ( -9.468 0.000 9.030) 13.084 7.842 ( 2.707 -0.000 -0.698) 2.795 8.046 ( 6.325 -0.000 -0.457) 6.341 8.665 ( -13.879 0.000 -9.201) 16.652 9.571 ( -2.910 0.000 2.047) 3.558 9.914 ( 2.090 -0.000 2.668) 3.390 9.978 ( 0.614 -0.000 2.303) 2.383 10.541 ( -6.652 0.000 -3.863) 7.693 11.295 ( -0.490 0.000 -4.736) 4.761 12.872 ( 9.765 -0.000 -19.782) 22.061 16.255 ( -1.508 0.000 -3.941) 4.219 16.357 ( -6.381 0.000 2.212) 6.753 17.120 ( 0.924 -0.000 -2.069) 2.265 17.350 ( 1.554 -0.000 -0.915) 1.803 17.576 ( -4.380 0.000 0.220) 4.386 17.689 ( 8.498 -0.000 -0.335) 8.505 17.792 ( 2.512 -0.000 9.743) 10.061 19.039 ( 2.651 -0.000 -0.805) 2.771 ======================= Grid point 104 (44/250) ======================= q-point: ( 0.33 0.22 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 3.412 -3.471 5.655) 7.461 1.413 ( 9.904 -2.353 12.289) 15.958 1.727 ( -4.237 4.216 5.245) 7.952 1.968 ( 11.373 1.587 7.017) 13.457 2.244 ( -6.241 4.660 1.700) 7.972 2.343 ( -3.726 -1.751 2.571) 4.854 2.612 ( -10.790 3.879 1.260) 11.535 2.902 ( -7.547 -11.061 4.751) 14.209 3.175 ( -0.702 1.611 -1.896) 2.585 4.223 ( -1.221 -5.918 -18.335) 19.306 4.699 ( 7.221 4.911 -2.513) 9.087 6.060 ( -1.556 0.054 -1.715) 2.316 6.178 ( 14.335 2.561 -12.364) 19.103 6.414 ( -3.892 2.053 8.409) 9.491 6.528 ( 2.885 -2.513 7.106) 8.070 6.917 ( 4.650 2.522 6.097) 8.072 7.431 ( -0.651 1.294 4.040) 4.292 7.514 ( -0.229 3.572 3.368) 4.915 7.615 ( -3.491 -2.229 -2.824) 5.013 7.903 ( 4.141 -0.481 3.139) 5.219 8.146 ( 6.937 -3.062 1.883) 7.813 8.480 ( -13.600 -0.450 -8.771) 16.189 9.542 ( -1.070 1.257 -1.406) 2.168 9.958 ( 1.583 -1.143 5.072) 5.435 10.057 ( 4.065 -4.251 4.895) 7.652 10.496 ( -6.952 -5.181 -5.367) 10.198 11.276 ( 0.206 -0.202 -2.930) 2.944 12.765 ( 6.869 12.321 -14.934) 20.543 16.239 ( -0.769 -1.178 -3.504) 3.776 16.306 ( -5.412 -0.334 1.508) 5.628 17.108 ( 1.411 1.547 -1.542) 2.600 17.330 ( 1.422 3.551 -1.432) 4.084 17.527 ( -4.170 0.387 0.887) 4.281 17.771 ( 5.955 -0.753 -0.027) 6.002 17.872 ( 2.657 -1.551 7.266) 7.890 18.999 ( 2.302 6.212 -0.736) 6.666 ======================= Grid point 105 (45/250) ======================= q-point: ( 0.44 0.22 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.547 -5.530 1.696) 5.810 1.564 ( 2.608 3.096 5.669) 6.966 1.652 ( 2.758 1.560 8.118) 8.714 2.013 ( 2.330 4.900 3.707) 6.571 2.088 ( -5.391 6.143 5.335) 9.761 2.364 ( -2.845 -2.093 5.898) 6.875 2.478 ( -8.729 -0.859 -3.750) 9.539 3.056 ( -5.758 -10.842 1.503) 12.368 3.137 ( 1.412 1.095 0.871) 1.988 4.300 ( 2.003 -10.822 -15.161) 18.734 4.639 ( 6.821 8.880 -2.451) 11.462 6.054 ( 0.660 -0.274 -0.984) 1.216 6.165 ( 7.429 6.608 -6.561) 11.912 6.406 ( -2.199 -1.959 3.930) 4.911 6.638 ( 6.766 -0.194 5.880) 8.966 6.918 ( 3.063 5.165 5.376) 8.060 7.310 ( -13.681 2.794 1.206) 14.015 7.479 ( 1.367 3.222 -1.573) 3.837 7.648 ( 4.376 -2.233 -1.124) 5.040 7.941 ( 0.154 0.294 3.375) 3.392 8.211 ( -2.992 1.359 -2.225) 3.969 8.408 ( -2.271 -6.845 -3.462) 7.999 9.511 ( 1.869 0.592 -4.218) 4.652 10.022 ( 0.147 -2.243 4.855) 5.350 10.246 ( 6.540 -7.426 8.365) 12.957 10.507 ( -6.619 -6.613 -7.505) 11.994 11.294 ( 0.577 -1.863 2.626) 3.271 12.474 ( 3.971 20.640 -10.757) 23.611 16.244 ( 0.038 -1.338 -2.919) 3.211 16.274 ( -4.039 -1.086 0.818) 4.262 17.088 ( 2.391 2.303 -0.924) 3.446 17.252 ( -0.801 4.535 -0.978) 4.708 17.490 ( -3.789 -0.325 0.985) 3.928 17.839 ( 4.065 -1.113 0.506) 4.245 17.948 ( 2.248 -0.718 4.685) 5.245 18.879 ( 1.905 9.168 -2.081) 9.592 ======================= Grid point 106 (46/250) ======================= q-point: ( 0.56 0.22 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -6.384 -1.585 0.319) 6.586 1.464 ( 2.036 7.322 -0.417) 7.612 1.742 ( 5.520 1.096 5.150) 7.629 1.858 ( -7.703 9.002 8.178) 14.396 2.052 ( -2.368 -1.872 3.793) 4.848 2.348 ( -1.337 3.303 1.799) 3.992 2.482 ( -2.917 -7.340 -0.454) 7.911 3.058 ( -0.015 2.266 -2.367) 3.277 3.279 ( -3.195 -12.470 3.943) 13.463 4.488 ( 2.943 -12.815 -9.779) 16.386 4.517 ( 7.315 10.814 -2.943) 13.383 6.029 ( 1.915 6.162 -4.391) 7.805 6.107 ( 2.716 1.163 -0.268) 2.967 6.449 ( -0.140 -2.486 1.205) 2.766 6.709 ( 4.630 1.965 4.994) 7.088 6.847 ( 0.798 6.870 2.100) 7.228 7.114 ( -13.188 3.536 0.203) 13.655 7.422 ( 1.533 3.706 -2.454) 4.702 7.749 ( 5.836 -3.135 -0.632) 6.654 7.927 ( -4.565 -0.798 -1.049) 4.752 8.119 ( -2.277 3.834 2.684) 5.205 8.539 ( 1.170 -8.774 -3.556) 9.539 9.540 ( 5.008 -2.063 -3.726) 6.574 10.071 ( -2.248 -2.499 2.605) 4.253 10.484 ( -6.254 -6.674 10.704) 14.079 10.518 ( 7.735 -6.624 -12.546) 16.159 11.380 ( 0.472 -3.684 10.994) 11.604 12.048 ( 0.027 25.233 -8.562) 26.646 16.255 ( -0.631 -1.509 -2.956) 3.378 16.276 ( -0.819 -1.712 1.676) 2.532 17.064 ( 1.989 3.041 -0.429) 3.658 17.178 ( -1.173 1.660 -0.257) 2.049 17.465 ( -3.769 -0.673 0.968) 3.949 17.901 ( 3.099 -1.267 1.509) 3.672 17.968 ( -0.091 1.631 1.240) 2.051 18.707 ( 1.686 11.145 -3.390) 11.771 ======================= Grid point 107 (47/250) ======================= q-point: (-0.33 0.22 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -4.649 6.496 2.967) 8.522 1.331 ( 0.174 10.175 -5.215) 11.435 1.653 ( -7.757 8.052 7.178) 13.287 1.806 ( 5.236 -0.446 3.819) 6.496 2.091 ( -6.814 -5.408 1.334) 8.801 2.302 ( 1.914 2.248 1.227) 3.197 2.610 ( 0.759 -7.751 1.892) 8.015 3.003 ( 1.134 3.685 -1.572) 4.163 3.492 ( -3.150 -14.198 3.013) 14.852 4.347 ( 2.791 12.851 1.392) 13.224 4.746 ( 7.528 -13.912 -9.617) 18.512 5.869 ( -0.773 9.621 -5.949) 11.339 6.145 ( 1.194 -2.458 -0.703) 2.822 6.488 ( -0.524 -1.612 1.130) 2.037 6.669 ( -2.818 5.997 2.989) 7.269 6.777 ( 5.287 3.598 -1.060) 6.482 6.935 ( -10.370 3.633 1.657) 11.112 7.363 ( 2.329 4.592 -0.010) 5.149 7.838 ( 5.239 1.367 -1.769) 5.696 7.895 ( -1.442 -2.557 -2.142) 3.634 8.070 ( -2.651 1.647 6.609) 7.309 8.692 ( 1.974 -9.259 -5.283) 10.841 9.647 ( 6.503 -4.622 -1.882) 8.197 10.079 ( -4.457 -1.654 -0.578) 4.789 10.450 ( -6.318 -2.476 -8.417) 10.812 10.758 ( 7.649 -7.883 1.124) 11.041 11.455 ( 5.087 14.719 5.843) 16.633 11.614 ( -8.511 6.000 5.679) 11.861 16.264 ( -0.508 -1.850 -2.404) 3.076 16.327 ( 1.687 -2.225 2.912) 4.035 17.025 ( -0.376 1.598 0.023) 1.642 17.172 ( 0.821 -0.474 0.708) 1.183 17.444 ( -3.326 -0.632 0.794) 3.478 17.888 ( -3.569 4.807 -3.421) 6.896 17.962 ( 2.283 -1.454 1.691) 3.191 18.516 ( 2.808 11.590 -1.389) 12.006 ======================= Grid point 108 (48/250) ======================= q-point: (-0.22 0.22 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 2.653 8.910 6.650) 11.430 1.068 ( -2.295 14.360 -5.298) 15.478 1.487 ( -2.231 9.853 10.912) 14.870 1.896 ( -3.226 -6.730 -1.610) 7.634 2.105 ( -0.599 -1.570 -0.077) 1.682 2.324 ( -0.503 -2.505 1.802) 3.126 2.762 ( 2.482 -6.169 1.546) 6.827 2.942 ( 0.613 3.663 -0.028) 3.714 3.733 ( -0.807 -14.168 2.147) 14.352 4.143 ( -0.838 12.599 3.018) 12.983 5.022 ( 9.800 -11.743 -9.632) 18.075 5.634 ( -5.370 9.605 -8.071) 13.647 6.192 ( -1.340 -3.513 -3.162) 4.912 6.503 ( -2.391 -0.746 4.337) 5.008 6.558 ( -0.054 4.996 0.787) 5.058 6.785 ( 7.549 2.877 -1.201) 8.168 6.790 ( -8.946 2.441 2.676) 9.651 7.318 ( 4.040 4.996 3.251) 7.201 7.810 ( 8.355 7.820 2.994) 11.828 7.948 ( -0.803 -3.672 -3.245) 4.965 8.055 ( -4.713 -1.156 4.087) 6.344 8.843 ( 1.691 -8.478 -6.584) 10.867 9.793 ( 3.659 -5.639 -0.821) 6.772 10.036 ( -3.828 -0.256 -4.168) 5.665 10.385 ( -3.240 -0.255 -10.609) 11.095 10.808 ( -3.932 9.375 -3.021) 10.606 11.214 ( 10.773 4.374 -3.935) 12.275 11.693 ( -6.611 -5.603 22.762) 24.356 16.292 ( 0.799 -2.331 -1.653) 2.967 16.402 ( 1.872 -2.097 3.622) 4.585 17.020 ( -0.968 -1.716 1.719) 2.614 17.200 ( 0.745 -0.912 1.437) 1.857 17.432 ( -1.418 -0.726 0.327) 1.626 17.706 ( -4.658 7.325 -8.084) 11.862 18.000 ( 0.667 0.329 0.845) 1.126 18.382 ( 5.043 8.285 4.721) 10.788 ======================= Grid point 109 (49/250) ======================= q-point: (-0.11 0.22 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.344 11.272 4.066) 11.988 0.874 ( 11.574 9.450 8.223) 17.055 1.372 ( 3.098 9.661 13.271) 16.705 1.924 ( -9.218 -5.486 -2.846) 11.099 2.168 ( 4.350 -3.038 -0.133) 5.307 2.370 ( -3.579 -4.074 0.789) 5.480 2.820 ( 0.919 2.606 -1.415) 3.104 2.949 ( 0.987 -3.385 3.951) 5.295 3.830 ( -6.765 7.412 0.482) 10.046 4.069 ( 3.200 -8.614 3.771) 9.933 5.145 ( 0.062 3.622 -17.239) 17.615 5.479 ( 3.030 -3.937 -4.272) 6.552 6.203 ( -2.156 -1.964 -3.754) 4.754 6.477 ( -2.944 3.454 -0.538) 4.571 6.526 ( -2.024 -1.217 7.563) 7.923 6.708 ( -5.416 -0.633 4.331) 6.963 6.841 ( 12.346 1.673 -0.037) 12.459 7.306 ( 6.070 4.820 5.642) 9.587 7.782 ( 10.825 9.630 7.911) 16.508 7.956 ( -3.168 -1.699 -4.791) 5.989 8.042 ( -4.906 -1.604 0.739) 5.214 8.939 ( -1.762 -5.865 -8.134) 10.181 9.837 ( -6.490 -1.505 -3.797) 7.668 10.012 ( -1.586 -1.838 -4.970) 5.531 10.231 ( 1.413 11.466 -12.082) 16.717 10.630 ( -0.489 1.627 4.142) 4.476 11.332 ( 5.451 -3.705 -4.256) 7.846 11.870 ( 1.923 -9.874 16.917) 19.682 16.344 ( 1.057 -2.880 -0.900) 3.197 16.449 ( -0.081 -0.513 1.469) 1.558 17.075 ( -2.060 -3.730 3.719) 5.656 17.235 ( -0.667 -2.777 3.146) 4.249 17.422 ( -0.571 2.380 -2.874) 3.775 17.543 ( 3.563 3.608 -3.941) 6.422 17.948 ( -1.436 4.797 -1.375) 5.193 18.407 ( 7.578 0.017 10.478) 12.931 ======================= Grid point 113 (50/250) ======================= q-point: ( 0.33 0.33 0.09) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.124 -0.000 4.347) 4.349 1.539 ( 7.880 -0.000 11.686) 14.095 1.743 ( -3.579 0.000 4.520) 5.766 2.112 ( 7.271 -0.000 4.439) 8.519 2.214 ( -10.692 0.000 2.034) 10.884 2.302 ( -0.888 0.000 2.867) 3.001 2.507 ( -17.733 0.000 1.720) 17.816 2.805 ( 3.397 -0.000 4.498) 5.637 3.180 ( 0.137 -0.000 -1.504) 1.510 4.096 ( 1.737 -0.000 -15.479) 15.576 4.803 ( 7.626 -0.000 -4.324) 8.767 6.049 ( 0.486 -0.000 -0.257) 0.550 6.263 ( 8.489 -0.000 -9.364) 12.639 6.391 ( -8.092 0.000 5.056) 9.542 6.624 ( 11.769 -0.000 5.337) 12.922 7.010 ( 3.897 -0.000 4.288) 5.794 7.370 ( -14.897 0.000 3.623) 15.331 7.565 ( 2.937 -0.000 2.614) 3.931 7.588 ( 2.796 -0.000 -5.205) 5.908 7.966 ( 1.647 -0.000 5.735) 5.967 8.184 ( 4.736 -0.000 1.581) 4.993 8.304 ( -10.854 0.000 -7.064) 12.950 9.546 ( 0.080 -0.000 -2.251) 2.253 9.982 ( 0.583 -0.000 6.143) 6.170 10.101 ( 6.945 -0.000 5.854) 9.083 10.346 ( -7.563 0.000 -4.974) 9.052 11.270 ( 1.214 -0.000 -1.654) 2.051 12.863 ( 4.718 -0.000 -14.641) 15.382 16.214 ( 0.266 -0.000 -2.231) 2.247 16.257 ( -4.457 0.000 0.847) 4.537 17.128 ( 1.196 -0.000 -0.895) 1.493 17.384 ( 3.796 -0.000 -4.897) 6.196 17.483 ( -4.596 0.000 0.709) 4.650 17.836 ( 5.222 -0.000 1.843) 5.538 17.892 ( -0.097 0.000 6.223) 6.224 19.059 ( 0.731 -0.000 -2.356) 2.467 ======================= Grid point 114 (51/250) ======================= q-point: ( 0.44 0.33 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -2.088 -2.596 3.115) 4.561 1.661 ( 3.653 0.835 7.663) 8.530 1.707 ( -1.304 0.877 4.443) 4.713 2.088 ( -9.553 1.924 5.291) 11.089 2.128 ( -2.143 5.008 0.134) 5.449 2.309 ( -3.098 -2.177 -3.745) 5.326 2.393 ( -5.587 -0.858 9.619) 11.157 2.902 ( 1.538 -5.082 1.563) 5.535 3.168 ( 0.575 0.897 -1.197) 1.602 4.123 ( 4.683 -6.186 -11.304) 13.710 4.817 ( 7.261 4.898 -4.144) 9.690 6.060 ( 1.334 0.107 -0.263) 1.364 6.265 ( 1.684 3.053 -4.804) 5.936 6.355 ( -3.086 -2.171 2.461) 4.505 6.759 ( 11.222 0.684 1.212) 11.308 7.025 ( 0.650 2.750 1.676) 3.285 7.213 ( -13.816 1.808 1.773) 14.046 7.544 ( 2.199 3.465 -1.593) 4.403 7.652 ( 3.920 -2.659 -0.418) 4.755 7.928 ( -8.135 1.047 0.625) 8.225 8.218 ( 0.462 1.394 1.560) 2.143 8.278 ( 0.855 -5.272 -0.665) 5.382 9.524 ( 1.377 0.741 -4.983) 5.223 10.016 ( -0.687 -0.476 5.528) 5.591 10.245 ( 5.796 -6.349 -2.415) 8.930 10.306 ( -5.026 -3.402 6.273) 8.729 11.295 ( 2.073 -0.982 2.867) 3.672 12.742 ( 3.596 11.381 -12.961) 17.620 16.217 ( -0.406 -0.471 -1.347) 1.484 16.230 ( -1.585 -0.932 0.488) 1.902 17.133 ( 1.766 0.650 -0.306) 1.907 17.341 ( 2.045 5.660 -5.073) 7.871 17.446 ( -3.823 -0.330 0.949) 3.953 17.878 ( 2.973 0.318 2.281) 3.761 17.944 ( -0.325 -2.568 3.686) 4.504 19.005 ( 0.448 5.024 -3.798) 6.314 ======================= Grid point 115 (52/250) ======================= q-point: ( 0.56 0.33 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.368 -2.844 2.470) 4.449 1.596 ( -0.473 5.636 1.877) 5.959 1.762 ( -1.423 -0.374 1.241) 1.925 1.963 ( -12.476 1.837 -1.805) 12.739 2.006 ( -0.181 5.331 9.444) 10.847 2.302 ( -4.412 -3.723 -3.410) 6.704 2.452 ( 3.601 -0.353 8.978) 9.680 3.010 ( -0.626 -6.339 -0.388) 6.382 3.161 ( -0.116 -0.934 -0.098) 0.947 4.293 ( 7.114 -10.600 -6.744) 14.438 4.749 ( 5.973 8.988 -2.524) 11.083 6.052 ( -1.023 0.947 -2.587) 2.939 6.185 ( -0.134 4.088 -2.144) 4.618 6.398 ( -0.294 -3.235 -0.058) 3.248 6.825 ( 6.578 2.621 -0.833) 7.129 6.936 ( -4.365 4.970 -1.943) 6.894 7.059 ( -8.651 3.189 2.128) 9.463 7.505 ( 3.073 3.642 -0.307) 4.775 7.734 ( 2.740 -3.074 -0.791) 4.194 7.848 ( -5.290 -1.476 -1.569) 5.712 8.205 ( 1.400 3.824 6.376) 7.565 8.389 ( 0.365 -7.496 -2.783) 8.004 9.531 ( 3.155 -1.868 -4.861) 6.089 10.028 ( -2.515 -0.749 2.158) 3.397 10.289 ( -7.479 -6.242 -6.027) 11.455 10.492 ( 8.085 -6.447 9.904) 14.319 11.380 ( 1.903 -2.982 10.410) 10.995 12.432 ( 2.395 21.288 -12.087) 24.597 16.211 ( -1.212 -1.008 -0.931) 1.831 16.261 ( 1.644 -1.633 1.316) 2.665 17.141 ( 3.082 1.558 -0.231) 3.461 17.215 ( -1.187 5.844 -2.888) 6.626 17.424 ( -2.839 -0.455 0.959) 3.031 17.919 ( 1.930 -1.032 1.538) 2.674 17.970 ( -2.085 -0.080 0.627) 2.179 18.874 ( 0.783 8.195 -4.665) 9.462 ======================= Grid point 116 (53/250) ======================= q-point: (-0.33 0.33 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.390 0.602 3.591) 3.897 1.505 ( 2.716 8.057 -0.814) 8.542 1.620 ( -10.703 4.193 -4.111) 12.208 1.856 ( -11.130 -2.119 -0.422) 11.338 1.999 ( 2.942 1.698 6.772) 7.576 2.308 ( -2.525 -1.652 0.048) 3.018 2.555 ( 4.014 -3.374 6.361) 8.244 3.061 ( 2.027 1.652 -1.296) 2.919 3.255 ( -2.424 -11.548 2.507) 12.063 4.542 ( 5.478 -5.644 0.931) 7.920 4.622 ( 6.215 4.985 -4.983) 9.397 5.950 ( -3.277 6.231 -7.649) 10.395 6.127 ( -0.921 0.721 -2.148) 2.446 6.445 ( -0.872 -2.692 -0.389) 2.856 6.745 ( -4.834 6.059 0.529) 7.769 6.843 ( -1.229 1.171 -4.878) 5.165 6.946 ( -0.747 4.816 2.979) 5.712 7.475 ( 3.175 3.943 2.285) 5.554 7.810 ( 1.461 -3.809 -2.035) 4.559 7.859 ( -0.193 -2.923 -1.071) 3.119 8.165 ( 1.334 5.893 7.655) 9.752 8.524 ( 1.076 -9.158 -4.607) 10.308 9.610 ( 3.667 -4.683 -2.539) 6.467 10.006 ( -4.252 -0.754 -2.229) 4.860 10.287 ( -6.514 -4.529 -3.845) 8.816 10.723 ( 7.468 -6.705 4.651) 11.062 11.518 ( -1.055 -4.352 17.760) 18.316 11.966 ( 1.693 27.421 -11.882) 29.932 16.222 ( -0.085 -1.576 -0.922) 1.828 16.328 ( 2.856 -2.103 3.384) 4.903 17.072 ( -0.644 4.890 -2.375) 5.475 17.181 ( 1.183 -0.313 1.660) 2.063 17.412 ( -1.360 -0.400 0.393) 1.471 17.894 ( -5.083 3.071 -4.446) 7.419 17.971 ( 1.736 -1.215 2.181) 3.041 18.711 ( 1.307 9.295 -3.441) 9.997 ======================= Grid point 117 (54/250) ======================= q-point: (-0.22 0.33 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 6.425 5.794 5.530) 10.268 1.284 ( -0.095 12.792 -4.564) 13.583 1.535 ( -5.791 -2.238 1.233) 6.329 1.771 ( -8.194 -0.391 -1.697) 8.377 2.045 ( -1.229 -3.403 1.858) 4.068 2.309 ( -1.071 -0.019 2.924) 3.114 2.703 ( 3.801 -5.644 4.792) 8.323 3.012 ( 0.161 4.027 -1.268) 4.225 3.500 ( 1.535 -14.745 3.741) 15.289 4.366 ( -3.279 13.928 2.127) 14.466 4.888 ( 11.722 -12.839 -3.909) 17.819 5.702 ( -6.477 10.845 -12.257) 17.601 6.116 ( -1.243 -2.006 -3.118) 3.910 6.472 ( -1.518 -1.977 1.414) 2.866 6.620 ( -3.021 3.962 -0.588) 5.017 6.741 ( -9.030 1.837 1.625) 9.357 6.939 ( 10.718 3.703 -0.051) 11.340 7.459 ( 3.891 3.840 4.726) 7.227 7.865 ( -1.131 -3.491 -3.111) 4.811 7.910 ( -0.898 -3.416 -1.292) 3.761 8.110 ( 4.419 7.448 8.060) 11.831 8.673 ( 0.722 -9.069 -6.274) 11.051 9.721 ( 0.735 -4.847 0.212) 4.907 9.954 ( -4.026 -1.147 -7.180) 8.311 10.294 ( -1.713 -3.525 -2.588) 4.696 10.885 ( 3.979 -0.924 1.657) 4.408 11.446 ( -2.789 18.041 -7.133) 19.600 11.684 ( 1.398 -0.579 16.362) 16.431 16.254 ( 0.680 -2.140 -0.621) 2.330 16.411 ( 2.677 -1.601 4.368) 5.367 17.003 ( -1.250 0.753 -0.382) 1.508 17.204 ( 0.109 -0.063 2.392) 2.395 17.421 ( 1.662 -0.733 -0.572) 1.904 17.734 ( -4.761 5.346 -7.089) 10.075 18.011 ( 0.507 -0.557 1.667) 1.829 18.566 ( 1.738 7.500 -0.430) 7.711 ======================= Grid point 118 (55/250) ======================= q-point: (-0.11 0.33 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 2.045 9.234 3.223) 9.992 1.192 ( 13.325 8.352 6.000) 16.833 1.530 ( -0.153 1.298 4.197) 4.396 1.708 ( -9.592 -5.003 -3.245) 11.294 2.103 ( -3.658 -5.666 -0.189) 6.746 2.318 ( -0.641 -0.171 4.588) 4.636 2.841 ( 2.589 -2.318 1.370) 3.735 2.936 ( -1.600 1.294 0.900) 2.246 3.785 ( 2.820 -9.820 2.508) 10.520 4.090 ( -6.101 9.848 2.623) 11.878 5.145 ( 6.706 -0.563 -12.194) 13.927 5.427 ( -2.216 0.862 -6.556) 6.974 6.140 ( 0.837 -2.339 -3.357) 4.176 6.477 ( -4.508 2.020 0.479) 4.963 6.532 ( -1.733 -0.153 1.475) 2.281 6.667 ( -5.223 0.022 6.217) 8.120 7.014 ( 13.872 2.326 0.174) 14.067 7.460 ( 3.718 3.481 5.835) 7.745 7.880 ( -1.708 -1.843 -4.272) 4.956 7.922 ( -8.092 -3.537 -0.761) 8.864 8.085 ( 10.547 8.050 7.077) 15.038 8.770 ( -2.656 -6.428 -8.248) 10.789 9.737 ( -6.101 -0.660 -2.630) 6.676 9.931 ( -1.222 -2.128 -4.363) 5.006 10.351 ( 6.703 -0.181 -5.858) 8.904 10.751 ( -2.793 12.492 4.260) 13.491 11.306 ( 3.659 -1.854 -5.792) 7.097 11.802 ( -0.875 -5.630 13.212) 14.388 16.299 ( 0.295 -2.488 -0.502) 2.555 16.455 ( 0.034 0.313 2.034) 2.058 17.019 ( -1.066 -2.581 2.726) 3.903 17.203 ( -2.004 -0.328 1.914) 2.790 17.453 ( 2.917 0.601 -1.744) 3.451 17.610 ( 2.592 2.320 -3.588) 4.997 17.993 ( -1.655 2.760 -0.305) 3.233 18.513 ( 3.252 1.572 3.161) 4.800 ======================= Grid point 123 (56/250) ======================= q-point: ( 0.44 0.44 0.09) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -2.320 0.000 3.948) 4.579 1.709 ( -2.956 0.000 2.224) 3.699 1.710 ( -2.145 0.000 4.369) 4.867 2.027 ( -5.743 0.000 8.659) 10.391 2.151 ( -10.309 0.000 -7.533) 12.768 2.207 ( 0.241 -0.000 -0.369) 0.441 2.430 ( 1.913 -0.000 14.065) 14.194 2.874 ( -0.197 0.000 -2.901) 2.908 3.173 ( 0.472 -0.000 -1.680) 1.745 4.092 ( 7.736 -0.000 -6.605) 10.172 4.916 ( 6.897 -0.000 -3.600) 7.780 6.067 ( -0.255 0.000 -1.288) 1.313 6.288 ( -5.327 0.000 3.773) 6.528 6.302 ( 2.396 -0.000 -5.404) 5.912 6.863 ( 7.666 -0.000 -4.478) 8.878 7.040 ( -2.087 0.000 -1.917) 2.834 7.119 ( -8.560 0.000 1.960) 8.781 7.623 ( 0.075 -0.000 1.241) 1.244 7.633 ( 4.732 -0.000 -1.294) 4.906 7.831 ( -9.037 0.000 -2.072) 9.271 8.240 ( 0.300 -0.000 -0.720) 0.780 8.274 ( 3.138 -0.000 6.596) 7.304 9.509 ( 0.133 -0.000 -7.108) 7.109 10.037 ( -1.518 0.000 7.236) 7.394 10.120 ( -4.344 0.000 -9.124) 10.105 10.377 ( 6.297 -0.000 15.387) 16.626 11.330 ( 3.093 -0.000 5.398) 6.222 12.820 ( 3.888 -0.000 -13.589) 14.134 16.197 ( -1.605 0.000 0.072) 1.606 16.226 ( 1.628 -0.000 0.290) 1.654 17.153 ( 1.405 -0.000 0.530) 1.502 17.395 ( 2.510 -0.000 -8.022) 8.406 17.415 ( -2.496 0.000 1.128) 2.739 17.891 ( -3.297 0.000 1.100) 3.476 17.942 ( 2.230 -0.000 4.717) 5.217 19.026 ( -0.279 0.000 -5.818) 5.824 ======================= Grid point 124 (57/250) ======================= q-point: (-0.44 -0.56 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.029 -2.421 3.712) 4.550 1.634 ( -7.185 1.924 -0.114) 7.439 1.698 ( -6.400 -2.438 0.752) 6.890 1.935 ( -5.609 7.845 -3.330) 10.203 2.106 ( 2.561 -0.520 10.232) 10.561 2.194 ( -3.854 -1.476 -3.459) 5.385 2.527 ( 3.474 -0.183 10.889) 11.431 2.877 ( -3.264 -5.603 -3.536) 7.386 3.164 ( 0.414 0.770 -1.817) 2.016 4.217 ( 9.917 -5.798 -2.290) 11.714 4.921 ( 4.721 5.212 -1.749) 7.246 6.036 ( -2.509 0.663 -2.899) 3.891 6.221 ( -2.187 2.851 -1.660) 3.958 6.333 ( -0.492 -3.220 -2.364) 4.025 6.867 ( -0.668 0.298 -7.985) 8.018 6.952 ( -4.929 4.433 -2.993) 7.274 7.066 ( -1.156 1.682 2.452) 3.190 7.589 ( 0.792 2.536 0.767) 2.765 7.704 ( 1.707 -2.225 0.699) 2.890 7.776 ( -0.968 -1.227 -1.963) 2.509 8.269 ( -1.026 -4.571 -2.299) 5.219 8.318 ( 2.809 2.416 7.767) 8.605 9.491 ( 0.670 -1.860 -6.692) 6.978 10.009 ( -3.296 1.131 -0.379) 3.505 10.110 ( -4.611 -4.747 -0.403) 6.630 10.540 ( 6.490 -3.001 14.024) 15.741 11.410 ( 2.891 -1.643 10.059) 10.594 12.698 ( 4.336 11.857 -14.235) 19.027 16.191 ( -0.107 -0.263 0.101) 0.302 16.262 ( 2.191 -1.391 2.018) 3.287 17.172 ( 1.492 -0.102 1.348) 2.014 17.311 ( 0.244 6.543 -6.878) 9.496 17.404 ( -0.922 -0.084 1.084) 1.425 17.874 ( -3.880 -2.369 -2.052) 4.988 17.976 ( 0.118 0.424 4.110) 4.133 18.958 ( 0.011 4.084 -7.054) 8.151 ======================= Grid point 125 (58/250) ======================= q-point: (-0.33 -0.56 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 1.849 -4.611 3.063) 5.836 1.523 ( -7.394 2.399 -1.180) 7.862 1.624 ( -15.585 -0.816 -4.936) 16.368 1.754 ( 4.584 7.658 -1.464) 9.045 2.084 ( -3.843 3.269 0.293) 5.054 2.251 ( 1.476 -3.298 5.561) 6.632 2.590 ( 2.400 -0.545 5.653) 6.166 3.013 ( 0.506 -11.763 2.828) 12.109 3.133 ( -0.535 1.867 -2.014) 2.798 4.460 ( 11.087 -9.801 0.822) 14.820 4.809 ( -0.167 9.885 -0.364) 9.893 5.971 ( -1.372 3.063 -6.079) 6.944 6.123 ( -3.074 3.037 -5.364) 6.888 6.373 ( -1.342 -3.585 -2.207) 4.418 6.758 ( -7.079 3.063 -4.754) 9.061 6.815 ( -5.747 3.096 -2.969) 7.171 7.062 ( 6.451 2.841 1.734) 7.259 7.562 ( 0.107 1.865 1.973) 2.717 7.747 ( -1.726 -2.266 0.318) 2.866 7.815 ( 3.234 -1.906 -1.696) 4.120 8.318 ( 1.488 3.068 6.558) 7.392 8.364 ( 2.310 -6.733 -3.687) 8.017 9.539 ( 1.810 -4.840 -3.757) 6.389 9.947 ( -4.415 0.602 -3.285) 5.536 10.149 ( -4.017 -4.411 1.993) 6.290 10.722 ( 5.360 -4.596 9.486) 11.825 11.526 ( -0.039 -2.707 15.127) 15.367 12.373 ( 4.062 22.443 -15.146) 27.378 16.204 ( 0.872 -0.688 0.202) 1.129 16.338 ( 3.176 -2.445 4.288) 5.870 17.148 ( -2.357 6.615 -3.982) 8.073 17.202 ( 2.027 0.232 1.658) 2.629 17.408 ( 0.878 -0.002 0.292) 0.925 17.841 ( -5.711 -0.300 -5.381) 7.853 17.978 ( -0.452 -0.090 2.908) 2.944 18.831 ( -0.057 6.702 -6.633) 9.429 ======================= Grid point 126 (59/250) ======================= q-point: (-0.22 -0.56 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.140 -7.537 0.555) 7.559 1.327 ( -5.173 8.343 -2.700) 10.181 1.498 ( -5.550 -0.153 -1.783) 5.831 1.695 ( 0.679 3.596 -2.817) 4.618 1.995 ( -6.181 0.392 0.824) 6.248 2.316 ( 0.505 -0.547 4.232) 4.297 2.682 ( 3.250 -3.953 5.035) 7.179 3.066 ( -1.798 3.462 -2.248) 4.502 3.294 ( 4.910 -14.477 5.730) 16.326 4.565 ( -6.114 13.290 1.372) 14.693 4.788 ( 12.377 -12.041 0.984) 17.296 5.770 ( -5.187 10.912 -14.799) 19.105 6.074 ( 0.776 -1.095 -2.234) 2.606 6.414 ( -0.986 -3.519 -0.675) 3.717 6.617 ( -6.320 3.054 -6.453) 9.535 6.706 ( -6.325 1.756 5.031) 8.271 7.109 ( 10.726 2.590 -0.109) 11.035 7.542 ( -1.398 0.966 2.609) 3.114 7.757 ( -4.222 -2.865 -0.237) 5.108 7.862 ( 1.558 -0.900 -1.458) 2.316 8.305 ( 2.569 3.612 4.924) 6.625 8.507 ( 4.158 -7.363 -5.088) 9.869 9.645 ( 1.636 -5.274 -0.344) 5.532 9.874 ( -3.460 0.132 -5.096) 6.161 10.207 ( -1.179 -4.737 2.033) 5.288 10.885 ( 3.709 -4.689 5.191) 7.917 11.577 ( -7.798 3.743 12.698) 15.365 11.941 ( 5.863 21.131 -10.516) 24.320 16.232 ( 1.150 -1.205 0.167) 1.674 16.435 ( 3.046 -1.762 5.462) 6.498 17.017 ( -1.979 3.351 -2.278) 4.509 17.222 ( 0.135 0.592 3.042) 3.102 17.431 ( 3.191 -0.668 -0.963) 3.399 17.725 ( -5.200 2.802 -6.472) 8.762 18.002 ( -0.624 -1.480 2.085) 2.632 18.675 ( -1.477 6.787 -5.393) 8.793 ======================= Grid point 127 (60/250) ======================= q-point: (-0.11 -0.56 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -4.839 1.938 -0.398) 5.228 1.442 ( 5.806 -6.653 1.038) 8.891 1.463 ( 3.837 2.898 3.317) 5.841 1.597 ( -4.528 3.110 -4.619) 7.177 1.963 ( -6.590 -3.051 2.875) 7.810 2.337 ( -0.465 -0.202 3.757) 3.791 2.819 ( 3.317 -4.887 3.888) 7.071 2.956 ( -3.829 4.374 -2.594) 6.366 3.641 ( 7.669 -14.091 5.397) 16.926 4.233 ( -10.302 14.565 0.690) 17.854 5.132 ( 12.885 -9.230 -1.207) 15.896 5.426 ( -6.550 9.950 -14.784) 18.987 6.120 ( 3.887 -1.303 -1.336) 4.312 6.468 ( -2.610 1.376 -1.891) 3.504 6.481 ( -2.944 -2.628 -0.698) 4.007 6.661 ( -4.374 0.972 7.372) 8.627 7.186 ( 11.759 1.620 -1.137) 11.925 7.514 ( -5.019 -0.139 2.005) 5.406 7.764 ( -4.685 -2.935 -0.216) 5.533 7.865 ( 0.856 0.678 -1.201) 1.623 8.291 ( 1.849 2.644 2.542) 4.108 8.625 ( 3.292 -3.892 -5.950) 7.835 9.669 ( -4.473 0.548 -2.864) 5.340 9.892 ( 4.102 -2.982 0.347) 5.083 10.322 ( 4.451 -6.628 -1.944) 8.217 10.949 ( -2.171 6.228 6.962) 9.590 11.321 ( -3.047 8.112 -6.917) 11.087 11.807 ( -0.143 2.533 6.874) 7.327 16.266 ( 0.677 -1.506 -0.253) 1.670 16.478 ( -0.247 1.144 2.575) 2.829 16.988 ( -0.321 -1.248 1.458) 1.946 17.203 ( -1.792 1.632 2.031) 3.162 17.477 ( 2.804 -0.598 -1.582) 3.274 17.642 ( 1.831 0.363 -2.676) 3.262 18.009 ( -1.715 0.858 1.098) 2.210 18.549 ( -1.873 2.160 -3.838) 4.786 ======================= Grid point 133 (61/250) ======================= q-point: (-0.44 -0.44 0.09) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -2.266 0.000 3.318) 4.018 1.505 ( -14.055 0.000 -3.182) 14.411 1.637 ( -4.719 0.000 -0.820) 4.790 1.985 ( 1.119 -0.000 -3.368) 3.549 2.107 ( -5.070 0.000 -2.487) 5.647 2.194 ( 4.097 -0.000 10.956) 11.697 2.625 ( 4.557 -0.000 12.038) 12.872 2.733 ( -6.705 0.000 -7.636) 10.162 3.172 ( 1.212 -0.000 -1.809) 2.177 4.275 ( 11.408 -0.000 1.442) 11.498 4.995 ( 1.077 -0.000 -0.446) 1.166 6.004 ( -1.520 0.000 -3.043) 3.402 6.233 ( -2.049 0.000 0.153) 2.055 6.258 ( -1.697 0.000 -8.236) 8.409 6.799 ( -4.468 0.000 -9.524) 10.520 6.906 ( -8.463 0.000 -3.723) 9.245 7.113 ( 4.964 -0.000 1.881) 5.309 7.584 ( -4.101 0.000 -0.493) 4.130 7.724 ( 2.386 -0.000 2.038) 3.138 7.781 ( 4.658 -0.000 -1.011) 4.767 8.197 ( -2.487 0.000 -2.413) 3.466 8.402 ( 3.298 -0.000 6.407) 7.206 9.444 ( 0.296 -0.000 -6.085) 6.092 9.975 ( -3.549 0.000 -3.632) 5.078 10.044 ( -3.328 0.000 5.842) 6.724 10.640 ( 4.757 -0.000 15.033) 15.768 11.472 ( 2.567 -0.000 11.005) 11.300 12.792 ( 6.455 -0.000 -15.882) 17.144 16.200 ( 1.379 -0.000 1.457) 2.006 16.281 ( 2.223 -0.000 2.886) 3.643 17.192 ( 1.072 -0.000 2.070) 2.331 17.339 ( -0.816 0.000 -7.856) 7.899 17.410 ( 1.098 -0.000 0.904) 1.422 17.782 ( -5.778 0.000 -3.936) 6.991 17.994 ( -1.722 0.000 3.856) 4.223 18.960 ( 0.833 -0.000 -8.518) 8.559 ======================= Grid point 134 (62/250) ======================= q-point: (-0.33 -0.44 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -6.094 -4.208 0.884) 7.459 1.364 ( -15.275 -3.479 -4.971) 16.436 1.562 ( -1.729 4.238 -1.148) 4.719 1.939 ( 3.166 6.202 -2.082) 7.268 2.013 ( -7.586 -0.090 -5.312) 9.261 2.301 ( 4.347 -0.058 9.922) 10.833 2.616 ( -0.771 0.544 -0.003) 0.943 2.832 ( 1.351 -10.048 5.568) 11.567 3.170 ( 2.191 1.376 -1.115) 2.817 4.457 ( 12.196 -5.418 4.092) 13.958 4.924 ( -4.847 5.919 0.040) 7.650 5.990 ( 2.887 1.233 -3.731) 4.876 6.120 ( -4.018 4.138 -9.173) 10.836 6.276 ( -1.333 -4.186 -3.691) 5.738 6.696 ( -4.873 1.265 -9.919) 11.124 6.781 ( -9.070 1.973 0.991) 9.334 7.173 ( 7.210 1.016 0.300) 7.287 7.535 ( -5.774 -0.597 -0.863) 5.868 7.732 ( -1.130 0.472 0.849) 1.490 7.838 ( 4.717 -0.392 0.646) 4.777 8.202 ( -3.305 -4.580 -2.229) 6.072 8.460 ( 7.278 1.098 3.114) 7.992 9.463 ( 1.739 -3.608 -3.117) 5.075 9.917 ( -2.888 1.644 -1.163) 3.521 10.064 ( -3.268 -3.135 4.621) 6.470 10.758 ( 2.694 -1.867 12.251) 12.682 11.555 ( 0.139 -1.322 13.037) 13.105 12.672 ( 6.970 13.431 -17.689) 23.278 16.223 ( 2.206 0.568 2.255) 3.205 16.346 ( 2.865 -2.556 4.834) 6.173 17.199 ( -1.651 2.869 0.038) 3.310 17.244 ( -0.099 2.983 -3.539) 4.629 17.431 ( 2.705 0.286 0.260) 2.732 17.726 ( -6.228 -2.459 -6.087) 9.049 17.971 ( -3.782 0.168 1.622) 4.118 18.897 ( 1.241 4.481 -8.219) 9.443 ======================= Grid point 135 (63/250) ======================= q-point: (-0.22 -0.44 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -13.197 -6.484 -3.795) 15.186 1.266 ( -14.102 -5.995 -6.748) 16.744 1.493 ( 5.174 4.191 3.017) 7.310 1.810 ( -6.433 3.931 -4.049) 8.557 1.959 ( 3.816 2.929 -1.250) 4.971 2.346 ( 0.330 1.117 4.982) 5.116 2.663 ( 2.173 -3.577 2.528) 4.890 3.024 ( -2.091 -5.351 0.779) 5.798 3.216 ( 8.051 -4.711 4.888) 10.531 4.700 ( -9.324 10.729 0.168) 14.215 4.741 ( 12.773 -9.487 5.077) 16.701 5.832 ( -5.125 9.937 -16.708) 20.104 6.082 ( 5.538 -0.832 -0.307) 5.608 6.328 ( -0.379 -4.396 -2.456) 5.050 6.566 ( -4.749 2.458 -10.157) 11.478 6.695 ( -6.648 0.907 7.539) 10.093 7.225 ( 6.470 0.672 -2.011) 6.809 7.471 ( -9.126 -1.209 -1.299) 9.297 7.718 ( -1.306 -0.692 0.285) 1.505 7.884 ( 2.814 0.252 1.562) 3.228 8.225 ( -6.750 -4.470 -2.250) 8.402 8.570 ( 13.610 -0.169 0.472) 13.619 9.570 ( 3.440 -5.934 -1.064) 6.941 9.854 ( -1.253 1.913 -0.373) 2.317 10.123 ( -2.040 -4.608 4.104) 6.500 10.865 ( 0.702 -3.311 7.531) 8.257 11.603 ( -5.528 1.016 13.161) 14.311 12.328 ( 5.257 22.692 -17.156) 28.930 16.245 ( 2.072 0.460 1.828) 2.801 16.456 ( 2.934 -2.672 6.413) 7.541 17.055 ( -2.820 5.280 -3.737) 7.057 17.250 ( 0.559 0.301 3.232) 3.294 17.454 ( 2.977 0.231 -1.344) 3.275 17.662 ( -5.295 -0.593 -5.923) 7.967 17.957 ( -3.183 -2.564 0.265) 4.096 18.748 ( -2.021 8.029 -7.686) 11.297 ======================= Grid point 136 (64/250) ======================= q-point: (-0.11 -0.44 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -11.908 -7.571 -3.717) 14.593 1.252 ( -9.405 -9.398 -4.895) 14.168 1.556 ( 3.052 -2.598 6.003) 7.218 1.657 ( -2.927 5.961 -2.201) 6.997 1.959 ( 6.364 3.103 0.503) 7.098 2.337 ( -1.968 0.556 3.053) 3.675 2.775 ( 2.337 -4.939 2.119) 5.861 2.980 ( -3.387 3.611 -2.056) 5.361 3.522 ( 9.964 -12.941 7.036) 17.784 4.370 ( -11.693 13.927 -0.548) 18.193 5.091 ( 13.607 -11.674 5.387) 18.721 5.489 ( -5.879 12.703 -18.584) 23.266 6.164 ( 6.987 0.172 0.139) 6.991 6.394 ( -0.786 -4.297 -1.064) 4.496 6.454 ( -1.186 1.174 -5.173) 5.435 6.662 ( -5.367 0.477 8.678) 10.215 7.268 ( 4.067 -0.884 -3.742) 5.597 7.382 ( -12.231 -2.316 -1.711) 12.565 7.728 ( 0.200 -0.796 -0.938) 1.247 7.909 ( 2.987 0.936 2.747) 4.164 8.202 ( -8.399 -3.557 -3.278) 9.692 8.705 ( 12.993 1.522 -0.838) 13.108 9.639 ( -0.697 0.475 -3.047) 3.162 9.908 ( 8.818 -4.064 3.455) 10.306 10.222 ( 0.259 -6.952 1.274) 7.072 10.954 ( -2.075 -3.981 5.627) 7.198 11.441 ( -10.767 12.643 1.433) 16.668 11.969 ( 1.982 14.055 -4.664) 14.941 16.266 ( 1.683 0.082 0.740) 1.840 16.506 ( -1.029 1.286 2.763) 3.216 16.984 ( 0.237 0.286 0.540) 0.656 17.238 ( -1.073 2.672 2.672) 3.928 17.471 ( 0.650 -1.263 -1.920) 2.389 17.636 ( 1.538 -1.802 -1.600) 2.858 17.984 ( -1.996 -2.644 0.483) 3.348 18.539 ( -6.054 5.626 -8.042) 11.531 ======================= Grid point 143 (65/250) ======================= q-point: (-0.33 -0.33 0.09) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -12.255 0.000 -0.773) 12.279 1.135 ( -17.141 0.000 -7.211) 18.596 1.626 ( 5.347 -0.000 1.142) 5.468 1.796 ( -18.729 0.000 -8.445) 20.545 2.095 ( 9.427 -0.000 -1.217) 9.505 2.381 ( 1.890 -0.000 7.195) 7.439 2.594 ( 0.284 -0.000 -2.690) 2.705 2.805 ( 3.685 -0.000 8.186) 8.977 3.210 ( 3.772 -0.000 0.395) 3.793 4.563 ( 12.969 -0.000 6.620) 14.561 4.903 ( -9.319 0.000 -0.298) 9.323 6.051 ( -7.441 0.000 -15.673) 17.350 6.051 ( 8.298 -0.000 -0.795) 8.336 6.215 ( 1.455 -0.000 -2.747) 3.108 6.615 ( -3.186 0.000 -12.950) 13.336 6.716 ( -9.114 0.000 6.182) 11.013 7.238 ( 4.256 -0.000 -2.072) 4.734 7.458 ( -6.649 0.000 -1.739) 6.873 7.690 ( -7.518 0.000 -1.320) 7.633 7.887 ( 3.183 -0.000 3.059) 4.415 8.135 ( -1.154 0.000 -0.338) 1.202 8.559 ( 10.545 -0.000 -0.482) 10.556 9.441 ( 2.417 -0.000 -0.935) 2.591 9.924 ( -0.319 0.000 1.683) 1.713 10.015 ( -3.849 0.000 4.797) 6.150 10.812 ( 0.001 -0.000 11.323) 11.323 11.597 ( -1.132 0.000 12.106) 12.159 12.795 ( 9.199 -0.000 -20.429) 22.405 16.284 ( 3.743 -0.000 5.605) 6.740 16.363 ( 2.183 -0.000 4.836) 5.306 17.227 ( -0.078 0.000 3.319) 3.320 17.231 ( -3.120 0.000 -6.498) 7.208 17.469 ( 3.917 -0.000 -0.595) 3.962 17.604 ( -6.067 0.000 -6.630) 8.987 17.913 ( -7.329 0.000 -1.651) 7.513 18.936 ( 4.032 -0.000 -7.358) 8.390 ======================= Grid point 144 (66/250) ======================= q-point: (-0.22 -0.33 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -15.338 -3.302 -2.594) 15.902 0.967 ( -16.992 -5.400 -7.944) 19.519 1.528 ( -16.884 0.813 -4.880) 17.594 1.723 ( 3.905 -1.168 1.069) 4.214 2.136 ( 10.314 5.520 -2.113) 11.887 2.392 ( -0.360 1.578 3.138) 3.531 2.637 ( 2.687 -2.646 1.113) 3.932 2.927 ( 1.634 -5.558 3.965) 7.020 3.270 ( 6.838 -1.039 3.662) 7.826 4.729 ( -8.432 4.265 -1.221) 9.528 4.788 ( 10.680 -3.237 8.166) 13.829 5.839 ( -6.706 6.227 -17.779) 19.996 6.158 ( 10.689 -0.330 0.796) 10.724 6.251 ( 1.618 -3.098 -3.575) 5.000 6.517 ( -1.731 1.489 -12.046) 12.260 6.664 ( -7.986 -0.148 9.676) 12.547 7.243 ( -0.759 -0.246 -3.685) 3.771 7.364 ( -8.692 1.213 -2.613) 9.157 7.619 ( -9.577 -4.370 -2.763) 10.883 7.927 ( 1.984 0.151 3.753) 4.248 8.137 ( -0.636 -0.146 0.896) 1.108 8.698 ( 14.812 -1.584 -1.944) 15.023 9.509 ( 3.774 -4.568 -0.651) 5.962 9.905 ( 0.991 2.880 3.509) 4.647 10.044 ( -2.626 -3.920 4.681) 6.647 10.852 ( -2.258 -1.211 7.179) 7.622 11.622 ( -4.664 0.771 11.355) 12.300 12.646 ( 6.816 15.925 -21.837) 27.873 16.314 ( 2.995 2.778 5.175) 6.593 16.459 ( 2.493 -3.627 6.897) 8.182 17.102 ( -3.067 5.583 -4.685) 7.908 17.262 ( 0.214 -1.342 3.157) 3.437 17.478 ( -0.286 0.925 -4.522) 4.625 17.563 ( -1.552 -2.371 -3.019) 4.141 17.842 ( -7.278 -3.318 -4.104) 8.990 18.865 ( 1.469 9.259 -6.331) 11.312 ======================= Grid point 145 (67/250) ======================= q-point: (-0.11 -0.33 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -12.982 -7.458 -2.905) 15.251 0.929 ( -12.718 -11.503 -4.651) 17.768 1.373 ( -19.269 -6.193 -1.050) 20.267 1.792 ( 8.696 2.493 3.810) 9.816 2.127 ( 9.987 5.402 -3.031) 11.752 2.361 ( -0.964 2.595 2.524) 3.746 2.723 ( 1.773 -3.942 0.482) 4.349 2.985 ( -1.563 0.356 0.026) 1.603 3.469 ( 9.970 -8.604 6.785) 14.814 4.464 ( -11.218 10.821 -1.377) 15.647 5.074 ( 12.689 -8.711 7.110) 16.954 5.559 ( -3.742 10.017 -18.076) 21.002 6.259 ( 7.816 1.220 -1.699) 8.091 6.319 ( 2.704 -4.084 -0.010) 4.898 6.442 ( 1.271 0.946 -7.514) 7.679 6.641 ( -7.069 -0.663 10.712) 12.851 7.188 ( -11.393 -0.709 -2.045) 11.596 7.255 ( -4.314 -0.967 -4.946) 6.634 7.619 ( -7.535 -7.019 -4.785) 11.355 7.964 ( 2.398 -0.069 4.140) 4.785 8.120 ( -0.956 1.575 0.282) 1.864 8.860 ( 13.807 0.574 -1.815) 13.938 9.631 ( 5.063 -2.715 -3.829) 6.904 9.956 ( 9.115 -3.611 5.319) 11.154 10.115 ( -2.638 -4.837 3.861) 6.728 10.875 ( -4.205 -2.943 2.377) 5.656 11.523 ( -10.622 7.989 6.084) 14.617 12.246 ( -1.083 20.531 -13.313) 24.494 16.315 ( 2.426 2.248 2.985) 4.455 16.521 ( -1.951 0.766 2.519) 3.277 17.009 ( 1.006 1.675 0.298) 1.976 17.290 ( 0.129 1.950 3.681) 4.167 17.425 ( -2.556 -1.683 -3.073) 4.337 17.603 ( 1.443 -2.969 -0.722) 3.379 17.862 ( -3.395 -7.119 -4.501) 9.081 18.592 ( -7.704 13.251 -6.050) 16.479 ======================= Grid point 153 (68/250) ======================= q-point: (-0.22 -0.22 0.09) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -15.697 0.000 -0.167) 15.697 0.690 ( -18.630 0.000 -8.411) 20.441 1.243 ( -27.205 0.000 -5.948) 27.848 1.813 ( 9.057 -0.000 2.553) 9.410 2.287 ( 9.812 -0.000 -2.384) 10.098 2.411 ( 0.065 -0.000 0.942) 0.944 2.647 ( 2.346 -0.000 1.219) 2.644 2.915 ( 1.968 -0.000 3.635) 4.133 3.348 ( 7.250 -0.000 4.378) 8.469 4.663 ( -10.389 0.000 -1.982) 10.576 4.922 ( 13.060 -0.000 8.986) 15.853 5.745 ( -5.655 0.000 -18.237) 19.093 6.227 ( 3.624 -0.000 -5.947) 6.964 6.287 ( 11.752 -0.000 2.742) 12.067 6.475 ( 1.494 -0.000 -11.643) 11.738 6.618 ( -9.566 0.000 11.283) 14.792 7.191 ( -5.221 0.000 -2.351) 5.726 7.298 ( -6.673 0.000 -4.882) 8.268 7.403 ( -16.473 0.000 -3.288) 16.798 7.957 ( 0.624 -0.000 3.828) 3.879 8.174 ( 3.058 -0.000 4.198) 5.194 8.819 ( 15.627 -0.000 -4.122) 16.162 9.496 ( 2.792 -0.000 -0.567) 2.849 9.979 ( -3.957 0.000 5.127) 6.476 9.993 ( 3.737 -0.000 4.939) 6.193 10.832 ( -4.551 0.000 3.420) 5.693 11.629 ( -5.301 0.000 9.860) 11.194 12.768 ( 7.671 -0.000 -27.481) 28.532 16.440 ( 3.598 -0.000 10.090) 10.713 16.446 ( 1.207 -0.000 5.144) 5.283 17.116 ( -1.983 0.000 -5.107) 5.479 17.240 ( -1.722 0.000 2.543) 3.071 17.413 ( -3.006 0.000 -7.294) 7.889 17.577 ( 4.201 -0.000 0.239) 4.208 17.683 ( -10.343 0.000 -7.041) 12.512 18.988 ( 5.877 -0.000 -4.824) 7.604 ======================= Grid point 154 (69/250) ======================= q-point: (-0.11 -0.22 0.09) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -13.544 -3.479 1.563) 14.071 0.574 ( -14.242 -10.733 -2.445) 18.000 1.007 ( -26.096 -7.424 -0.198) 27.132 1.912 ( 7.809 -0.112 2.611) 8.235 2.306 ( 7.480 5.994 -2.955) 10.031 2.412 ( 1.645 1.328 0.663) 2.216 2.687 ( 1.135 -2.024 0.390) 2.353 2.968 ( 0.261 -1.705 1.891) 2.560 3.482 ( 8.217 -4.156 5.497) 10.724 4.500 ( -8.933 6.092 -1.868) 10.973 5.117 ( 10.593 -3.813 6.005) 12.760 5.584 ( -0.917 4.621 -17.468) 18.092 6.253 ( 2.634 -2.053 -5.002) 6.015 6.402 ( 8.873 1.830 1.496) 9.182 6.453 ( 4.947 0.659 -7.523) 9.028 6.586 ( -9.101 -2.121 12.138) 15.319 7.082 ( -11.828 3.682 -0.246) 12.391 7.168 ( -5.610 -0.585 -4.721) 7.356 7.347 ( -11.179 -9.109 -4.150) 15.006 7.985 ( 0.493 -1.033 3.099) 3.303 8.194 ( 2.607 3.757 3.711) 5.889 8.984 ( 14.041 -1.426 -3.862) 14.632 9.597 ( 7.887 -7.283 -4.141) 11.506 9.978 ( -1.241 -2.492 5.480) 6.147 10.075 ( 3.746 -1.755 5.027) 6.510 10.788 ( -6.041 -1.077 -3.027) 6.842 11.566 ( -8.464 5.002 6.818) 11.964 12.494 ( -4.498 19.273 -22.413) 29.900 16.417 ( 1.680 4.352 5.430) 7.159 16.516 ( -2.580 0.429 2.004) 3.295 17.066 ( 2.891 2.146 1.861) 4.052 17.298 ( 0.053 -6.088 2.543) 6.598 17.360 ( -2.430 1.698 -3.328) 4.457 17.546 ( -4.822 -1.948 -4.544) 6.906 17.681 ( 0.060 -6.048 -4.082) 7.297 18.801 ( -5.411 20.702 -2.621) 21.557 ======================= Grid point 163 (70/250) ======================= q-point: (-0.11 -0.11 0.09) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -10.580 0.000 10.483) 14.894 0.328 ( -10.714 0.000 10.971) 15.334 0.652 ( -27.543 0.000 6.831) 28.377 1.982 ( 4.971 -0.000 1.156) 5.103 2.432 ( 1.269 -0.000 -0.042) 1.270 2.433 ( 6.572 -0.000 -3.344) 7.374 2.682 ( 0.747 -0.000 1.012) 1.258 2.964 ( 0.333 -0.000 2.692) 2.712 3.537 ( 5.567 -0.000 4.426) 7.112 4.469 ( -5.839 0.000 -2.070) 6.195 5.193 ( 5.611 -0.000 1.862) 5.912 5.552 ( 3.662 -0.000 -17.782) 18.155 6.247 ( 3.768 -0.000 -2.768) 4.676 6.489 ( -11.824 0.000 9.530) 15.187 6.496 ( 6.804 -0.000 -3.573) 7.685 6.535 ( 8.968 -0.000 1.944) 9.176 7.051 ( -13.326 0.000 -1.762) 13.442 7.078 ( -8.341 0.000 -7.147) 10.984 7.113 ( -1.863 0.000 6.498) 6.760 7.978 ( -1.189 0.000 1.975) 2.305 8.304 ( 4.165 -0.000 3.840) 5.664 9.073 ( 11.708 -0.000 -5.120) 12.779 9.532 ( 2.961 -0.000 -3.748) 4.776 9.942 ( -4.608 0.000 5.708) 7.336 10.122 ( 3.342 -0.000 2.614) 4.243 10.683 ( -6.552 0.000 -9.776) 11.768 11.567 ( -7.211 0.000 5.900) 9.318 12.517 ( -9.409 0.000 -29.515) 30.979 16.484 ( -1.236 0.000 2.278) 2.592 16.507 ( -3.887 0.000 -0.952) 4.002 17.165 ( 8.519 -0.000 9.526) 12.779 17.191 ( -2.004 0.000 -2.484) 3.192 17.370 ( 1.068 -0.000 1.525) 1.861 17.408 ( -8.994 0.000 -6.525) 11.111 17.655 ( 2.919 -0.000 -0.094) 2.920 19.049 ( 3.202 -0.000 -7.741) 8.377 ======================= Grid point 164 (71/250) ======================= q-point: ( 0.00 0.00 0.18) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 1.200 -0.000 16.254) 16.298 0.783 ( 2.349 -0.000 17.977) 18.130 1.279 ( 8.262 -0.000 26.946) 28.185 2.022 ( -1.438 0.000 0.333) 1.476 2.356 ( -0.834 0.000 -3.414) 3.514 2.365 ( 2.268 -0.000 -7.258) 7.604 2.787 ( 3.481 -0.000 2.875) 4.515 3.072 ( 0.456 -0.000 3.843) 3.870 3.659 ( -7.483 0.000 5.023) 9.012 4.344 ( -0.548 0.000 -6.272) 6.296 4.879 ( -12.437 0.000 -9.660) 15.748 5.235 ( 16.251 -0.000 -18.121) 24.340 6.301 ( -0.083 0.000 -3.364) 3.366 6.466 ( -1.885 0.000 2.341) 3.006 6.714 ( 1.432 -0.000 5.605) 5.785 6.717 ( -0.392 0.000 1.583) 1.630 7.000 ( 9.173 -0.000 3.798) 9.928 7.003 ( 5.998 -0.000 6.440) 8.801 7.537 ( 8.320 -0.000 12.776) 15.246 7.919 ( -4.812 0.000 -1.625) 5.079 8.182 ( -9.533 0.000 3.131) 10.034 8.952 ( -0.044 0.000 -10.972) 10.972 9.537 ( 8.549 -0.000 -1.751) 8.726 9.977 ( -7.301 0.000 4.240) 8.442 10.030 ( -1.759 0.000 -5.423) 5.701 10.659 ( 12.601 -0.000 0.009) 12.601 11.479 ( -9.010 0.000 0.212) 9.012 12.165 ( 3.560 -0.000 -14.682) 15.107 16.382 ( -5.245 0.000 -3.017) 6.051 16.409 ( 6.548 -0.000 -2.312) 6.944 17.093 ( -0.084 0.000 -2.058) 2.059 17.212 ( -0.920 0.000 -2.123) 2.313 17.582 ( 1.541 -0.000 2.961) 3.338 17.627 ( 3.038 -0.000 6.313) 7.005 17.703 ( 2.235 -0.000 4.190) 4.749 18.888 ( 2.732 -0.000 -1.593) 3.162 ======================= Grid point 165 (72/250) ======================= q-point: ( 0.11 0.00 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 3.728 -0.883 14.263) 14.769 0.947 ( 9.125 -2.737 15.759) 18.415 1.503 ( 7.961 -1.748 20.463) 22.026 1.995 ( -4.414 0.572 0.683) 4.503 2.286 ( 1.723 4.054 -3.801) 5.818 2.375 ( 0.243 -1.161 -4.591) 4.741 2.820 ( 2.021 1.296 3.543) 4.280 3.094 ( 0.704 0.208 3.499) 3.575 3.616 ( -12.838 -4.796 4.809) 14.524 4.291 ( -1.137 0.427 -9.299) 9.378 4.698 ( -9.326 1.915 -8.827) 12.983 5.350 ( 17.581 -0.755 -16.406) 24.058 6.239 ( -4.651 1.793 -2.448) 5.554 6.454 ( -2.402 -0.062 4.984) 5.533 6.696 ( -1.893 1.302 1.734) 2.878 6.772 ( 3.012 -0.653 2.685) 4.087 7.020 ( 11.968 5.852 7.288) 15.185 7.244 ( 9.638 -6.581 6.541) 13.378 7.708 ( 9.647 -2.562 9.573) 13.831 7.870 ( -3.856 -0.838 -2.697) 4.779 8.105 ( -8.523 -0.128 4.415) 9.599 8.861 ( -3.872 2.126 -11.273) 12.108 9.629 ( 4.512 -1.625 -2.519) 5.417 9.929 ( -5.211 -0.976 2.543) 5.880 9.992 ( -0.946 -0.728 -5.040) 5.179 10.742 ( 3.259 0.685 3.471) 4.811 11.381 ( -4.857 1.491 -1.324) 5.250 12.140 ( 9.000 2.822 -17.765) 20.114 16.329 ( -3.974 -1.098 -3.634) 5.496 16.451 ( 3.529 0.857 -1.303) 3.858 17.092 ( -1.409 -0.817 -1.862) 2.473 17.220 ( 2.859 -1.300 -3.566) 4.752 17.572 ( 1.200 1.792 2.492) 3.296 17.661 ( 0.027 2.465 5.829) 6.329 17.756 ( 2.528 -0.764 5.304) 5.924 18.832 ( 4.622 8.514 2.689) 10.053 ======================= Grid point 166 (73/250) ======================= q-point: ( 0.22 0.00 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 5.309 -3.445 11.080) 12.760 1.187 ( 12.448 -4.109 13.239) 18.630 1.643 ( 4.800 1.682 11.288) 12.381 1.888 ( -6.486 5.347 -1.082) 8.475 2.243 ( 1.497 2.435 -0.054) 2.858 2.383 ( 0.897 -1.116 -1.003) 1.748 2.815 ( -1.778 1.117 3.431) 4.022 3.096 ( 0.939 2.377 2.056) 3.280 3.619 ( -15.175 -9.889 5.382) 18.895 4.238 ( 0.142 0.259 -9.263) 9.268 4.564 ( -5.981 -0.475 -9.110) 10.908 5.450 ( 17.525 2.513 -13.916) 22.518 6.153 ( -3.878 1.436 -1.808) 4.513 6.461 ( -0.640 0.347 5.063) 5.115 6.664 ( -2.600 0.655 3.669) 4.544 6.808 ( 1.498 0.852 3.156) 3.596 7.098 ( 13.622 4.253 6.546) 15.700 7.451 ( 5.377 -4.369 5.053) 8.575 7.783 ( -0.353 0.031 -2.832) 2.854 7.948 ( 7.194 -2.172 1.061) 7.590 8.048 ( -7.600 -2.468 7.919) 11.250 8.710 ( -6.191 3.152 -11.368) 13.323 9.622 ( -3.871 0.528 -3.207) 5.055 9.938 ( 0.855 -1.004 0.218) 1.337 10.030 ( 3.170 -5.168 -3.130) 6.823 10.761 ( -1.761 -0.422 5.752) 6.030 11.332 ( 0.360 0.944 -1.351) 1.687 12.074 ( 6.003 5.684 -13.548) 15.871 16.297 ( -3.041 -1.129 -3.877) 5.055 16.446 ( -0.503 0.741 -0.167) 0.911 17.075 ( -2.353 -0.457 -0.835) 2.539 17.256 ( 1.821 -0.943 -4.052) 4.542 17.542 ( -1.101 4.392 6.161) 7.646 17.664 ( 7.084 1.855 2.372) 7.698 17.825 ( 1.076 -2.354 3.894) 4.675 18.748 ( 4.192 8.090 2.681) 9.498 ======================= Grid point 167 (74/250) ======================= q-point: ( 0.33 0.00 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 5.513 -5.190 7.539) 10.685 1.434 ( 9.830 -2.683 9.867) 14.185 1.650 ( -0.489 4.876 6.781) 8.366 1.704 ( -0.243 7.757 -2.386) 8.120 2.190 ( -2.799 3.912 2.678) 5.506 2.424 ( 1.465 -0.944 2.370) 2.942 2.782 ( -6.159 -1.048 1.518) 6.430 3.048 ( 0.270 4.210 0.541) 4.254 3.697 ( -13.629 -13.114 5.707) 19.756 4.190 ( 3.430 4.403 -4.665) 7.274 4.527 ( -4.777 -7.652 -12.391) 15.327 5.494 ( 17.054 6.444 -10.910) 21.246 6.103 ( -1.812 0.100 -1.449) 2.323 6.466 ( 0.373 1.649 4.687) 4.983 6.658 ( -0.908 0.354 4.262) 4.372 6.802 ( 0.028 2.436 4.287) 4.931 7.195 ( 11.660 2.657 3.297) 12.405 7.518 ( -2.227 -1.137 -1.876) 3.126 7.811 ( -1.196 -1.612 3.857) 4.348 7.864 ( -4.698 3.271 -2.242) 6.148 8.212 ( 6.105 -5.650 5.668) 10.066 8.540 ( -5.711 2.658 -11.008) 12.683 9.549 ( -5.983 -0.378 -2.723) 6.584 9.980 ( 6.149 0.351 0.506) 6.179 10.167 ( 4.301 -6.853 -6.296) 10.252 10.801 ( -3.134 -4.199 9.386) 10.750 11.325 ( 5.055 3.371 -0.971) 6.153 11.955 ( -1.271 4.674 -7.065) 8.566 16.268 ( -2.021 -0.550 -3.338) 3.941 16.427 ( -2.628 -0.684 0.115) 2.718 17.061 ( -2.440 -1.007 0.423) 2.673 17.238 ( -1.141 1.532 -1.518) 2.440 17.502 ( 1.640 2.657 4.139) 5.185 17.735 ( 9.195 1.403 1.093) 9.365 17.890 ( -0.359 -2.758 3.472) 4.448 18.641 ( 1.210 8.268 -1.559) 8.501 ======================= Grid point 168 (75/250) ======================= q-point: ( 0.44 0.00 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.435 4.118 2.879) 5.226 1.392 ( -6.754 0.035 -1.658) 6.955 1.579 ( 1.544 7.318 7.349) 10.486 1.765 ( 14.330 -0.516 6.736) 15.842 2.085 ( -5.445 4.666 5.631) 9.118 2.428 ( -2.090 1.837 2.160) 3.522 2.755 ( -7.224 -4.295 -1.970) 8.632 2.976 ( 0.411 4.236 0.281) 4.265 3.830 ( -10.265 -13.047 5.006) 17.339 4.109 ( 3.855 7.643 -0.320) 8.566 4.615 ( -2.642 -13.125 -14.526) 19.755 5.485 ( 15.902 9.033 -7.436) 19.743 6.099 ( -0.008 -1.392 -1.125) 1.790 6.456 ( 1.929 2.682 3.494) 4.809 6.641 ( 1.908 5.047 2.389) 5.901 6.781 ( -2.600 0.114 5.138) 5.760 7.246 ( 5.086 2.177 -2.224) 5.963 7.462 ( -7.064 2.324 -0.750) 7.475 7.695 ( -5.686 0.394 -2.068) 6.063 7.940 ( 5.094 -1.813 5.430) 7.663 8.247 ( -8.403 2.477 -1.775) 8.939 8.513 ( 7.604 -4.108 -5.936) 10.485 9.508 ( -3.759 -2.136 -1.783) 4.677 10.048 ( 10.194 1.610 -1.166) 10.386 10.251 ( 1.231 -3.039 -8.902) 9.486 10.944 ( -4.153 -10.306 11.537) 16.017 11.265 ( 6.094 10.239 -2.262) 12.128 11.869 ( -6.016 -1.998 1.408) 6.494 16.251 ( -0.763 -0.743 -2.183) 2.429 16.419 ( -3.448 -2.042 -0.031) 4.008 17.062 ( -2.163 -1.120 1.806) 3.032 17.195 ( -1.452 0.837 0.193) 1.687 17.508 ( 2.032 0.886 1.922) 2.934 17.796 ( 8.799 3.380 1.757) 9.588 17.945 ( -1.782 -3.336 2.673) 4.631 18.466 ( -1.731 9.223 -6.567) 11.453 ======================= Grid point 169 (76/250) ======================= q-point: (-0.44 0.00 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -6.589 12.719 0.182) 14.326 1.325 ( -7.482 6.009 -0.562) 9.613 1.605 ( 5.180 -0.203 9.643) 10.948 1.844 ( -0.750 4.415 7.184) 8.465 2.057 ( 7.011 0.232 4.406) 8.284 2.357 ( -5.291 1.188 0.455) 5.442 2.755 ( -3.222 -2.899 -4.575) 6.302 2.932 ( -0.245 0.982 1.680) 1.962 3.946 ( 2.273 0.846 4.352) 4.982 4.036 ( -6.675 -4.282 1.188) 8.019 4.768 ( -0.534 -13.181 -15.066) 20.026 5.452 ( 13.622 9.018 -3.790) 16.770 6.136 ( 1.722 -2.280 -1.301) 3.140 6.449 ( 3.805 3.067 1.513) 5.116 6.537 ( 2.346 8.560 -1.660) 9.030 6.793 ( -3.809 -1.991 5.873) 7.278 7.216 ( -1.458 1.755 -2.450) 3.348 7.292 ( -10.399 4.757 0.866) 11.468 7.685 ( 0.343 0.599 -2.151) 2.259 8.011 ( -1.600 -1.793 -0.395) 2.436 8.115 ( -2.461 2.439 3.746) 5.103 8.657 ( 8.000 -5.039 -6.209) 11.311 9.530 ( 1.267 -2.578 -1.554) 3.266 10.112 ( 12.326 2.991 -5.598) 13.864 10.235 ( -3.213 -0.862 -5.127) 6.112 10.991 ( -0.249 9.871 -9.844) 13.943 11.212 ( -8.354 -9.202 13.997) 18.718 11.929 ( -1.929 -6.355 8.460) 10.755 16.262 ( -0.012 -1.860 -1.581) 2.441 16.428 ( -3.074 -2.770 0.951) 4.246 17.069 ( -1.379 -0.703 2.898) 3.286 17.193 ( -1.169 -1.935 0.290) 2.280 17.520 ( 0.965 0.598 1.884) 2.199 17.801 ( 4.982 5.596 1.723) 7.688 17.973 ( -1.728 0.230 -1.387) 2.228 18.266 ( -2.269 5.261 -6.139) 8.397 ======================= Grid point 170 (77/250) ======================= q-point: (-0.33 0.00 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -5.820 10.869 4.084) 12.988 1.094 ( -8.658 10.334 3.459) 13.919 1.537 ( -8.741 10.905 14.556) 20.179 1.908 ( 6.050 -5.746 2.806) 8.803 2.123 ( 5.100 2.237 -0.150) 5.571 2.338 ( -0.884 -2.894 0.332) 3.044 2.736 ( 0.620 1.015 -4.244) 4.408 2.955 ( -0.945 -2.839 2.244) 3.740 3.883 ( 6.072 9.975 4.662) 12.574 4.136 ( -8.795 -12.195 0.801) 15.057 4.897 ( 1.209 -8.999 -16.439) 18.780 5.425 ( 8.596 6.138 -1.511) 10.670 6.197 ( 4.941 -1.591 -2.384) 5.712 6.367 ( 1.526 6.902 -6.399) 9.535 6.491 ( 5.914 2.121 2.972) 6.950 6.813 ( -4.829 -2.286 5.196) 7.453 7.091 ( -13.237 3.204 4.555) 14.360 7.184 ( 0.338 2.941 -0.471) 2.997 7.584 ( -3.529 6.629 -1.973) 7.764 8.026 ( -1.287 -3.506 -2.715) 4.617 8.134 ( 1.676 0.320 7.190) 7.390 8.787 ( 7.326 -4.629 -8.094) 11.858 9.595 ( 7.388 -0.481 -3.602) 8.234 10.120 ( 4.364 2.500 -9.969) 11.166 10.205 ( -0.607 0.655 0.824) 1.216 10.715 ( -4.074 10.749 -11.270) 16.098 11.356 ( -12.009 -11.694 9.825) 19.430 12.085 ( -0.063 -6.365 11.041) 12.745 16.290 ( -1.000 -2.837 -2.991) 4.242 16.466 ( -1.335 -2.889 3.903) 5.036 17.097 ( 0.477 -1.988 3.712) 4.238 17.227 ( -1.322 -2.924 -0.007) 3.208 17.524 ( -0.063 0.753 3.161) 3.251 17.671 ( -5.423 8.763 -7.039) 12.480 17.876 ( 5.186 8.220 -2.781) 10.109 18.271 ( -1.453 -7.154 3.256) 7.993 ======================= Grid point 171 (78/250) ======================= q-point: (-0.22 0.00 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -3.232 5.513 11.520) 13.173 0.866 ( -8.242 8.240 10.002) 15.358 1.310 ( -7.233 12.800 19.484) 24.409 2.042 ( 4.426 1.129 1.480) 4.802 2.160 ( 2.173 -6.626 -3.540) 7.820 2.393 ( 1.994 -1.586 -1.246) 2.836 2.714 ( 2.132 1.035 -1.856) 3.010 3.009 ( 0.072 -2.293 2.405) 3.324 3.797 ( 2.967 7.803 5.297) 9.887 4.255 ( -4.548 -9.025 -0.322) 10.111 4.956 ( 2.372 -4.932 -17.510) 18.345 5.374 ( 1.228 4.876 -4.781) 6.938 6.246 ( 9.308 3.832 -4.800) 11.152 6.311 ( 3.892 -2.253 -3.290) 5.572 6.555 ( 5.556 -0.490 4.455) 7.138 6.816 ( -6.463 -2.287 4.227) 8.054 6.929 ( -11.636 3.124 5.902) 13.416 7.131 ( -0.731 3.684 1.095) 3.912 7.446 ( 1.583 6.898 3.882) 8.072 8.036 ( -2.237 -0.251 -1.568) 2.743 8.190 ( -0.976 -3.031 4.795) 5.756 8.892 ( 6.819 -3.520 -9.519) 12.227 9.631 ( 10.497 5.122 -9.200) 14.868 10.065 ( -3.027 -0.268 -4.337) 5.296 10.155 ( -3.957 3.228 -1.078) 5.219 10.514 ( 2.182 4.599 -7.123) 8.755 11.458 ( -10.491 -9.731 5.235) 15.237 12.204 ( -3.372 -3.835 7.452) 9.034 16.312 ( -0.832 -2.834 -3.998) 4.971 16.510 ( -2.268 -1.224 3.368) 4.241 17.204 ( 4.059 -5.340 6.142) 9.095 17.250 ( -1.140 -1.079 -0.920) 1.820 17.381 ( -5.997 9.492 -8.685) 14.195 17.547 ( -0.378 -0.587 3.922) 3.984 17.793 ( 5.187 7.540 0.218) 9.154 18.460 ( -0.810 -13.044 6.127) 14.434 ======================= Grid point 172 (79/250) ======================= q-point: (-0.11 0.00 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.057 -1.085 17.238) 17.272 0.754 ( -4.893 3.726 16.522) 17.630 1.177 ( 1.289 8.885 25.375) 26.916 2.035 ( 0.616 1.342 0.255) 1.499 2.294 ( 2.375 -6.213 -5.160) 8.419 2.404 ( 1.033 0.732 -3.769) 3.976 2.735 ( 3.181 -0.361 1.213) 3.424 3.049 ( 0.661 -0.416 3.093) 3.190 3.721 ( -1.750 4.395 5.415) 7.190 4.339 ( -1.133 -4.135 -2.390) 4.909 4.972 ( -2.794 -4.921 -14.635) 15.691 5.250 ( 3.887 5.749 -12.816) 14.574 6.274 ( 5.697 -0.066 -2.552) 6.243 6.417 ( 7.947 -2.273 -2.853) 8.744 6.649 ( 2.458 -2.135 5.921) 6.758 6.769 ( -8.248 3.087 9.488) 12.946 6.855 ( -2.331 -3.916 0.526) 4.588 7.054 ( 2.246 6.197 1.993) 6.886 7.434 ( 6.499 3.430 10.702) 12.982 7.985 ( -4.083 1.179 -1.269) 4.436 8.232 ( -6.500 -3.259 2.675) 7.748 8.957 ( 4.654 -1.996 -10.258) 11.440 9.545 ( 7.171 7.726 -8.554) 13.575 10.034 ( -5.707 0.380 4.054) 7.011 10.063 ( -2.978 -0.277 -3.678) 4.741 10.529 ( 12.035 0.728 -3.071) 12.442 11.517 ( -8.760 -5.965 1.643) 10.724 12.209 ( -4.544 -0.897 -2.607) 5.315 16.346 ( 2.606 -2.138 -3.257) 4.687 16.471 ( -4.720 1.698 -1.225) 5.164 17.156 ( -1.526 5.598 -4.231) 7.181 17.241 ( -3.527 -0.750 -1.439) 3.882 17.424 ( 7.729 -6.647 7.104) 12.426 17.588 ( 0.879 -0.563 6.749) 6.829 17.719 ( 2.762 5.327 -0.175) 6.003 18.733 ( 1.231 -13.854 2.662) 14.161 ======================= Grid point 174 (80/250) ======================= q-point: ( 0.11 0.11 0.18) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 3.140 -0.000 12.201) 12.598 1.107 ( 12.683 -0.000 14.427) 19.209 1.684 ( 10.201 -0.000 18.173) 20.840 1.960 ( -4.865 0.000 1.707) 5.156 2.327 ( 0.503 -0.000 -5.925) 5.947 2.338 ( 1.399 -0.000 -1.605) 2.129 2.870 ( 0.708 -0.000 4.504) 4.559 3.110 ( -0.813 0.000 4.792) 4.861 3.434 ( -17.358 0.000 3.789) 17.767 4.172 ( -6.924 0.000 -17.832) 19.129 4.636 ( -3.338 0.000 -1.968) 3.875 5.474 ( 21.535 -0.000 -17.528) 27.767 6.185 ( -6.072 0.000 -2.390) 6.526 6.468 ( -0.143 0.000 7.630) 7.632 6.688 ( -3.762 0.000 1.379) 4.007 6.820 ( 4.547 -0.000 2.799) 5.340 7.257 ( 9.903 -0.000 5.587) 11.370 7.299 ( 12.961 -0.000 6.863) 14.666 7.814 ( -2.239 0.000 -2.334) 3.234 7.835 ( 8.936 -0.000 11.589) 14.634 8.026 ( -9.467 0.000 2.805) 9.874 8.773 ( -7.322 0.000 -10.689) 12.956 9.655 ( 0.194 -0.000 1.223) 1.238 9.901 ( -0.433 0.000 2.667) 2.702 9.944 ( -0.217 0.000 -6.159) 6.162 10.739 ( -7.096 0.000 5.182) 8.787 11.322 ( -5.410 0.000 -1.095) 5.520 12.230 ( 19.691 -0.000 -27.213) 33.590 16.260 ( -3.391 0.000 -3.486) 4.864 16.471 ( -1.026 0.000 -0.599) 1.188 17.083 ( 0.647 -0.000 -1.338) 1.486 17.224 ( 4.124 -0.000 -5.880) 7.182 17.613 ( 1.596 -0.000 3.536) 3.880 17.641 ( -1.929 0.000 -0.237) 1.944 17.858 ( 3.149 -0.000 11.269) 11.701 18.953 ( 3.808 -0.000 -1.369) 4.047 ======================= Grid point 175 (81/250) ======================= q-point: ( 0.22 0.11 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 3.161 -2.071 9.377) 10.110 1.323 ( 12.963 -2.211 13.032) 18.514 1.818 ( 7.119 3.795 11.071) 13.699 1.903 ( -3.607 2.250 1.607) 4.545 2.288 ( 0.404 1.938 -1.933) 2.767 2.368 ( 1.750 -1.527 -0.449) 2.365 2.845 ( -4.318 3.583 5.420) 7.801 3.133 ( -0.050 -0.440 3.366) 3.395 3.314 ( -18.972 -6.536 4.416) 20.546 4.055 ( -5.947 -4.930 -19.483) 20.958 4.587 ( 1.336 3.822 -1.215) 4.227 5.614 ( 21.284 0.988 -16.408) 26.893 6.114 ( -4.701 0.383 -1.221) 4.872 6.508 ( 1.860 0.672 7.364) 7.625 6.647 ( -4.717 -0.021 2.457) 5.318 6.876 ( 4.778 1.106 3.878) 6.252 7.333 ( 10.846 3.962 5.758) 12.903 7.457 ( 4.412 -2.021 0.686) 4.901 7.793 ( 1.302 1.168 2.795) 3.297 7.932 ( -10.675 -0.402 1.614) 10.803 8.015 ( 9.001 -4.045 7.501) 12.395 8.621 ( -9.704 1.623 -10.254) 14.211 9.602 ( -4.960 2.707 -0.593) 5.681 9.948 ( 4.125 -1.256 2.739) 5.109 9.967 ( 3.216 -3.721 -4.335) 6.556 10.694 ( -9.676 -2.872 5.551) 11.519 11.290 ( -2.926 -1.851 0.372) 3.482 12.249 ( 18.017 7.274 -24.890) 31.576 16.227 ( -2.268 -1.111 -3.408) 4.241 16.434 ( -4.260 0.453 0.121) 4.286 17.072 ( 0.506 1.316 -0.974) 1.714 17.243 ( 2.662 -0.752 -5.865) 6.484 17.611 ( -2.449 1.485 1.916) 3.446 17.669 ( 4.142 -1.604 1.143) 4.586 17.917 ( 3.037 1.637 10.240) 10.805 18.922 ( 3.247 6.179 -1.608) 7.163 ======================= Grid point 176 (82/250) ======================= q-point: ( 0.33 0.11 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 2.197 -4.212 5.758) 7.465 1.540 ( 8.936 -1.540 10.649) 13.987 1.751 ( -3.831 6.172 3.704) 8.154 1.882 ( 8.979 5.564 3.508) 11.131 2.238 ( -2.087 3.289 1.767) 4.277 2.422 ( 1.398 -2.201 1.338) 2.931 2.724 ( -10.839 3.257 4.637) 12.231 3.110 ( -0.460 2.987 -1.446) 3.351 3.345 ( -14.877 -13.021 8.016) 21.334 4.061 ( -0.658 -9.279 -18.541) 20.744 4.520 ( 2.994 5.820 -0.827) 6.597 5.715 ( 19.251 3.783 -14.229) 24.235 6.072 ( -2.307 -0.179 -0.230) 2.326 6.530 ( -0.141 1.562 6.068) 6.267 6.641 ( -1.328 -1.681 3.541) 4.139 6.902 ( 3.928 3.501 4.412) 6.867 7.372 ( 5.428 4.695 1.180) 7.273 7.483 ( 1.845 -0.336 -2.082) 2.802 7.738 ( -13.411 1.213 2.254) 13.653 7.909 ( 5.567 0.095 3.464) 6.557 8.204 ( 4.979 -4.451 5.030) 8.361 8.452 ( -8.120 0.676 -9.244) 12.322 9.498 ( -4.460 1.943 -2.074) 5.289 10.035 ( 4.229 -1.601 3.745) 5.872 10.079 ( 6.661 -5.529 -6.938) 11.094 10.700 ( -8.533 -5.319 7.681) 12.653 11.337 ( -0.034 -4.012 4.513) 6.039 12.123 ( 11.593 12.985 -19.468) 26.116 16.216 ( -1.182 -1.244 -3.223) 3.652 16.384 ( -4.899 -0.242 0.357) 4.918 17.050 ( 0.312 1.119 -0.487) 1.260 17.239 ( 0.003 0.559 -3.454) 3.499 17.562 ( -2.027 1.776 1.835) 3.260 17.755 ( 4.809 -2.268 0.162) 5.320 17.964 ( 3.242 1.649 8.330) 9.090 18.804 ( 1.871 9.118 -3.332) 9.887 ======================= Grid point 177 (83/250) ======================= q-point: ( 0.44 0.11 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.756 -5.304 1.834) 5.663 1.478 ( -3.340 11.082 0.374) 11.580 1.735 ( 3.256 2.846 8.971) 9.959 1.941 ( 11.681 1.510 5.227) 12.886 2.142 ( -4.854 4.944 5.453) 8.817 2.452 ( -1.540 1.894 2.151) 3.253 2.594 ( -10.816 -2.624 0.093) 11.130 3.038 ( -0.718 3.304 -1.916) 3.886 3.489 ( -10.959 -14.265 7.251) 19.395 4.170 ( 5.622 -7.640 -15.628) 18.281 4.456 ( 2.062 3.154 -0.255) 3.777 5.744 ( 15.464 6.823 -11.275) 20.318 6.072 ( -0.146 -1.120 0.346) 1.181 6.523 ( -0.896 0.924 4.533) 4.712 6.687 ( 1.242 -1.132 3.084) 3.512 6.861 ( 1.091 6.370 2.591) 6.963 7.302 ( -1.465 3.448 -4.271) 5.682 7.456 ( -6.492 4.163 2.605) 8.140 7.639 ( -0.065 -1.744 -1.381) 2.226 7.976 ( 1.187 -0.337 2.544) 2.827 8.213 ( -5.075 2.347 1.093) 5.697 8.457 ( 3.231 -5.871 -4.057) 7.834 9.451 ( -0.649 -0.942 -1.620) 1.983 10.114 ( 1.084 -2.599 1.802) 3.343 10.188 ( 8.734 -2.054 -12.916) 15.727 10.781 ( -7.669 -8.306 13.046) 17.263 11.446 ( 4.934 -0.602 6.757) 8.389 11.889 ( 2.310 11.982 -11.798) 16.973 16.217 ( -0.023 -1.111 -2.699) 2.919 16.353 ( -4.105 -1.453 0.752) 4.419 17.039 ( -0.071 0.119 0.181) 0.228 17.201 ( -1.375 1.334 -0.743) 2.055 17.534 ( -1.398 0.378 1.072) 1.802 17.840 ( 4.047 -2.186 -0.414) 4.619 17.989 ( 1.569 2.455 5.871) 6.555 18.620 ( 1.055 11.126 -5.698) 12.545 ======================= Grid point 178 (84/250) ======================= q-point: (-0.44 0.11 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -6.629 9.736 0.974) 11.819 1.301 ( -1.646 2.849 -1.716) 3.711 1.752 ( 5.173 2.254 7.586) 9.455 1.928 ( -7.234 7.406 7.834) 12.982 2.157 ( 7.568 -2.306 5.848) 9.838 2.332 ( -7.271 4.450 0.137) 8.526 2.625 ( -1.930 -6.327 -1.541) 6.792 2.971 ( -0.206 2.921 -1.167) 3.152 3.664 ( -8.776 -14.160 5.445) 17.526 4.213 ( 8.126 6.190 -5.317) 11.516 4.518 ( 2.569 -9.581 -6.798) 12.025 5.697 ( 9.846 8.338 -8.576) 15.493 6.110 ( 1.425 -2.224 0.523) 2.693 6.525 ( 0.892 0.867 3.014) 3.260 6.686 ( 1.428 6.139 -3.121) 7.034 6.759 ( -3.235 1.670 2.253) 4.281 7.191 ( -8.937 2.749 1.114) 9.417 7.328 ( -1.219 4.606 1.560) 5.013 7.705 ( 4.951 -0.650 -1.793) 5.306 7.935 ( -5.861 -0.335 -4.437) 7.358 8.177 ( 0.656 1.898 8.343) 8.581 8.579 ( 2.887 -6.733 -5.752) 9.314 9.504 ( 4.343 -3.281 -0.495) 5.465 10.138 ( -3.588 -2.249 -6.881) 8.079 10.227 ( 9.219 1.119 -9.825) 13.519 10.923 ( -7.517 -8.997 12.933) 17.456 11.339 ( 3.698 18.365 -7.120) 20.041 11.836 ( -1.642 -6.555 10.718) 12.671 16.228 ( 0.483 -1.159 -2.620) 2.906 16.364 ( -1.898 -2.688 2.573) 4.178 17.043 ( -1.061 -0.830 0.901) 1.621 17.176 ( -0.528 0.122 0.748) 0.923 17.522 ( -2.154 -0.427 0.887) 2.368 17.894 ( 1.888 1.466 -2.444) 3.419 17.955 ( -1.790 1.539 1.622) 2.864 18.418 ( 3.325 11.011 -3.567) 12.042 ======================= Grid point 179 (85/250) ======================= q-point: (-0.33 0.11 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -1.371 12.351 3.760) 12.983 1.156 ( -7.904 7.199 0.128) 10.692 1.731 ( -7.295 10.429 12.280) 17.686 1.860 ( 4.218 -5.354 2.454) 7.244 2.196 ( -5.523 3.116 -0.742) 6.385 2.294 ( 5.094 -2.810 3.141) 6.611 2.712 ( 2.175 -3.635 -2.469) 4.903 2.934 ( -0.043 0.551 1.071) 1.205 3.844 ( -6.560 -13.160 3.580) 15.134 4.126 ( 5.549 9.742 1.288) 11.285 4.706 ( 6.043 -10.002 -11.553) 16.432 5.583 ( 2.269 7.768 -7.434) 10.989 6.179 ( 1.856 -3.479 0.327) 3.956 6.490 ( 2.335 7.063 -5.762) 9.409 6.582 ( 2.029 1.943 2.832) 3.989 6.736 ( -4.352 -1.163 -0.066) 4.505 7.049 ( -11.098 3.070 5.864) 12.923 7.279 ( 3.384 4.591 3.547) 6.716 7.685 ( 3.330 5.637 -2.151) 6.891 7.927 ( -1.210 -4.368 -3.573) 5.772 8.190 ( -0.989 1.293 8.175) 8.336 8.700 ( 3.383 -6.968 -7.719) 10.936 9.631 ( 8.223 -3.557 -0.913) 9.006 10.068 ( -4.370 -0.145 -12.188) 12.949 10.248 ( 4.376 1.437 -5.647) 7.287 10.894 ( -2.400 14.567 -4.313) 15.380 11.132 ( -5.832 -5.219 5.587) 9.616 12.018 ( -1.850 -7.023 15.928) 17.506 16.243 ( 0.880 -1.341 -2.796) 3.223 16.427 ( 0.067 -3.148 4.739) 5.689 17.063 ( -1.060 -2.574 2.131) 3.505 17.193 ( 0.662 -1.141 1.231) 1.804 17.510 ( -3.397 -1.017 1.099) 3.713 17.726 ( -6.339 8.789 -8.406) 13.714 17.968 ( 2.154 0.531 -1.854) 2.891 18.321 ( 5.857 5.370 4.937) 9.355 ======================= Grid point 180 (86/250) ======================= q-point: (-0.22 0.11 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 2.373 10.247 7.436) 12.881 0.960 ( -6.062 7.250 7.871) 12.298 1.546 ( -4.305 10.211 14.493) 18.244 2.014 ( 0.089 -8.137 -2.294) 8.455 2.111 ( -0.566 2.324 1.253) 2.700 2.380 ( 1.989 -1.924 0.081) 2.768 2.752 ( 3.575 0.705 -2.394) 4.360 2.973 ( 0.592 -3.083 3.098) 4.410 3.950 ( -3.220 2.756 2.623) 4.984 4.079 ( 1.360 -4.723 3.733) 6.171 4.844 ( 6.690 -4.578 -16.164) 18.083 5.421 ( -3.436 5.257 -7.971) 10.148 6.248 ( -2.501 -3.723 -1.345) 4.682 6.398 ( 8.279 4.642 -4.063) 10.325 6.631 ( 5.298 -0.016 5.833) 7.879 6.709 ( -4.903 -1.994 -0.792) 5.352 6.912 ( -10.203 3.071 6.282) 12.369 7.256 ( 4.895 5.417 5.860) 9.362 7.628 ( 7.721 6.572 2.075) 10.350 7.964 ( -2.372 -3.026 -4.138) 5.649 8.183 ( -3.295 0.661 6.651) 7.452 8.812 ( 3.204 -6.085 -9.442) 11.682 9.745 ( 8.410 0.668 -7.111) 11.033 9.980 ( -3.429 -1.675 -8.890) 9.674 10.177 ( -3.646 5.408 -2.863) 7.123 10.644 ( 3.271 8.470 -2.382) 9.387 11.238 ( -4.242 -8.504 3.335) 10.071 12.138 ( -5.626 -3.521 11.845) 13.578 16.275 ( 2.773 -1.754 -2.321) 4.019 16.483 ( -1.444 -1.188 3.087) 3.609 17.147 ( -0.084 -5.283 4.169) 6.730 17.236 ( 2.771 -2.050 2.518) 4.269 17.442 ( -6.255 7.297 -10.076) 13.924 17.519 ( -2.435 0.158 2.719) 3.653 17.930 ( 1.497 4.659 -2.649) 5.564 18.393 ( 5.455 -2.653 9.526) 11.294 ======================= Grid point 181 (87/250) ======================= q-point: (-0.11 0.11 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 4.149 3.884 13.239) 14.408 0.885 ( 2.234 5.066 14.672) 15.682 1.445 ( 1.615 7.347 17.629) 19.167 2.030 ( -5.237 -1.189 -0.941) 5.452 2.187 ( 3.832 -5.254 -1.919) 6.781 2.401 ( 0.314 -0.119 -3.005) 3.024 2.771 ( 3.065 0.122 0.951) 3.211 3.048 ( 1.129 -2.316 3.068) 4.006 3.805 ( -6.657 7.559 4.681) 11.107 4.234 ( 1.405 -7.159 0.148) 7.297 4.826 ( -2.831 0.133 -17.356) 17.585 5.313 ( 5.225 2.034 -11.457) 12.755 6.250 ( -3.534 -2.309 -2.062) 4.699 6.439 ( 3.928 -0.401 0.130) 3.951 6.689 ( 0.555 -0.172 -0.640) 0.864 6.746 ( 1.101 -0.936 10.058) 10.162 6.830 ( 0.121 -1.133 3.637) 3.811 7.243 ( 7.189 6.399 6.504) 11.616 7.638 ( 10.027 5.225 6.643) 13.114 7.937 ( -4.297 -0.311 -4.158) 5.988 8.159 ( -6.075 -0.093 5.405) 8.132 8.876 ( 0.260 -4.194 -10.920) 11.700 9.683 ( 3.607 5.474 -10.892) 12.713 9.996 ( -0.474 -2.574 -4.454) 5.166 10.025 ( -5.524 4.192 2.837) 7.492 10.646 ( 8.755 0.223 1.003) 8.815 11.347 ( -1.952 -6.523 -1.103) 6.898 12.139 ( -5.188 -1.045 0.329) 5.302 16.337 ( 3.655 -2.063 -2.108) 4.697 16.456 ( -2.621 1.543 -1.173) 3.260 17.165 ( -5.149 0.963 -1.319) 5.402 17.254 ( 1.180 4.479 -4.933) 6.767 17.426 ( 8.730 -7.307 8.011) 13.921 17.543 ( -3.376 -3.650 5.179) 7.179 17.831 ( 0.010 5.834 -1.885) 6.131 18.591 ( 5.119 -8.580 8.819) 13.327 ======================= Grid point 184 (88/250) ======================= q-point: ( 0.22 0.22 0.18) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 1.590 -0.000 7.912) 8.070 1.488 ( 11.512 -0.000 12.504) 16.996 1.878 ( -4.673 0.000 2.639) 5.367 1.992 ( 8.542 -0.000 6.679) 10.843 2.298 ( 0.328 -0.000 -2.380) 2.403 2.368 ( -0.024 0.000 2.187) 2.187 2.880 ( -3.620 0.000 5.144) 6.291 3.021 ( -21.597 0.000 11.438) 24.439 3.164 ( -1.287 0.000 -2.340) 2.670 3.871 ( -2.547 0.000 -19.451) 19.617 4.641 ( 3.743 -0.000 -2.407) 4.450 5.768 ( 21.217 -0.000 -16.583) 26.929 6.073 ( -3.049 0.000 0.232) 3.058 6.576 ( 3.339 -0.000 6.625) 7.419 6.592 ( -6.720 0.000 1.776) 6.951 6.963 ( 5.651 -0.000 4.768) 7.394 7.471 ( 2.229 -0.000 -5.158) 5.619 7.477 ( 6.546 -0.000 5.018) 8.248 7.782 ( -16.187 0.000 3.474) 16.555 7.901 ( 8.975 -0.000 6.395) 11.021 8.093 ( 7.230 -0.000 5.478) 9.071 8.476 ( -12.306 0.000 -8.878) 15.174 9.577 ( -5.216 0.000 -1.091) 5.329 9.951 ( 5.967 -0.000 -5.803) 8.323 10.002 ( 4.425 -0.000 4.900) 6.603 10.573 ( -11.525 0.000 7.150) 13.563 11.255 ( -0.678 0.000 1.047) 1.248 12.391 ( 17.717 -0.000 -26.264) 31.681 16.189 ( -0.805 0.000 -2.483) 2.610 16.382 ( -6.147 0.000 0.133) 6.149 17.096 ( 1.264 -0.000 -0.166) 1.275 17.234 ( 3.049 -0.000 -7.801) 8.376 17.577 ( -3.855 0.000 -0.060) 3.855 17.743 ( 6.757 -0.000 3.750) 7.728 17.986 ( -0.057 0.000 9.087) 9.088 18.990 ( 1.912 -0.000 -4.276) 4.684 ======================= Grid point 185 (89/250) ======================= q-point: ( 0.33 0.22 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.070 -1.861 6.129) 6.405 1.657 ( 7.884 -0.722 11.111) 13.643 1.812 ( -3.689 3.515 2.615) 5.727 2.060 ( 7.094 3.236 2.346) 8.142 2.272 ( -1.636 2.028 0.081) 2.607 2.383 ( -3.162 -2.366 2.648) 4.755 2.720 ( -12.444 6.836 7.097) 15.872 3.015 ( -11.512 -9.252 4.761) 15.518 3.153 ( -0.229 -0.274 1.513) 1.554 3.847 ( 3.391 -6.263 -17.296) 18.705 4.642 ( 5.065 3.665 -2.745) 6.828 5.890 ( 18.554 1.702 -15.306) 24.113 6.057 ( -0.807 0.028 1.303) 1.533 6.527 ( -6.553 -0.070 2.559) 7.035 6.647 ( 3.679 -0.877 3.882) 5.420 7.015 ( 3.408 2.179 3.721) 5.496 7.431 ( -0.351 3.057 -4.976) 5.850 7.556 ( 6.378 0.077 2.677) 6.918 7.610 ( -16.127 1.135 1.812) 16.269 8.001 ( 4.643 1.523 4.755) 6.819 8.209 ( 4.231 -2.890 4.460) 6.793 8.322 ( -9.049 -0.810 -5.636) 10.691 9.492 ( -3.437 2.493 -2.722) 5.044 10.017 ( 4.629 -2.567 -5.989) 7.993 10.087 ( 5.588 -2.347 2.943) 6.737 10.549 ( -8.644 -4.562 10.639) 14.447 11.298 ( 1.713 -3.082 5.085) 6.188 12.361 ( 13.329 8.891 -23.636) 28.555 16.184 ( 0.417 -0.601 -1.861) 2.000 16.322 ( -5.707 -0.427 0.038) 5.723 17.091 ( 1.832 1.974 -0.328) 2.713 17.230 ( 1.727 0.083 -6.105) 6.345 17.538 ( -4.129 -0.179 0.176) 4.137 17.820 ( 6.390 0.880 3.627) 7.400 18.018 ( -0.989 -0.503 6.690) 6.781 18.931 ( 0.957 5.487 -5.964) 8.160 ======================= Grid point 186 (90/250) ======================= q-point: ( 0.44 0.22 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -2.139 -2.904 3.969) 5.363 1.636 ( -1.385 8.832 2.180) 9.202 1.817 ( 1.605 -0.375 7.263) 7.448 2.074 ( 3.686 2.271 3.018) 5.277 2.186 ( -5.688 3.772 1.966) 7.103 2.416 ( -4.853 -4.952 1.961) 7.205 2.529 ( -6.870 6.159 5.495) 10.739 3.038 ( -3.153 -1.315 -2.250) 4.090 3.226 ( -4.880 -8.752 7.129) 12.298 3.988 ( 8.431 -10.430 -14.411) 19.686 4.600 ( 5.495 6.270 -1.004) 8.397 5.935 ( 12.727 4.794 -13.046) 18.845 6.066 ( 0.833 -0.391 1.316) 1.606 6.494 ( -5.093 -1.858 2.825) 6.113 6.711 ( 3.671 -0.480 0.695) 3.767 6.974 ( -1.040 5.095 -0.585) 5.233 7.310 ( -8.107 4.239 -0.625) 9.169 7.466 ( -4.054 2.936 1.385) 5.194 7.639 ( 5.429 -1.644 -0.031) 5.672 7.958 ( -6.557 1.329 -3.178) 7.407 8.250 ( 1.785 1.679 7.054) 7.468 8.356 ( 0.369 -5.810 -1.791) 6.091 9.437 ( 0.539 -0.057 -2.394) 2.455 10.055 ( 0.017 -2.097 -5.571) 5.952 10.198 ( 5.993 -2.772 -4.460) 7.969 10.636 ( -5.155 -6.591 14.830) 17.028 11.448 ( 3.879 -6.372 11.407) 13.630 12.148 ( 7.639 16.469 -20.220) 27.174 16.196 ( 1.040 -0.648 -1.558) 1.982 16.291 ( -3.483 -1.531 0.783) 3.884 17.072 ( 2.252 2.278 -1.003) 3.357 17.205 ( -0.629 1.075 -2.181) 2.512 17.505 ( -3.612 -0.473 0.378) 3.662 17.880 ( 4.953 0.387 2.938) 5.772 18.030 ( -2.198 0.422 2.936) 3.692 18.783 ( 1.070 8.751 -7.110) 11.326 ======================= Grid point 187 (91/250) ======================= q-point: (-0.44 0.22 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -4.350 -0.835 2.582) 5.127 1.462 ( 0.921 11.109 0.805) 11.176 1.798 ( -5.717 1.964 2.549) 6.560 2.042 ( -3.591 6.623 5.166) 9.135 2.111 ( -6.055 -3.784 2.485) 7.560 2.384 ( -3.450 2.877 3.835) 5.907 2.527 ( 3.416 -3.836 2.827) 5.863 3.005 ( 0.375 1.706 -2.597) 3.130 3.387 ( -5.854 -12.179 6.782) 15.119 4.221 ( 12.308 -10.044 -13.162) 20.630 4.537 ( 4.145 6.586 2.713) 8.242 5.862 ( 4.563 7.368 -11.336) 14.270 6.097 ( 1.227 -1.172 0.861) 1.903 6.507 ( -2.904 -2.709 2.272) 4.575 6.731 ( 2.043 0.961 -3.713) 4.345 6.821 ( -3.924 7.176 -3.871) 9.049 7.154 ( -9.999 3.184 3.815) 11.166 7.424 ( 3.504 3.634 3.363) 6.066 7.723 ( 4.581 -2.519 -1.899) 5.562 7.860 ( -4.414 0.278 -4.546) 6.342 8.262 ( -0.028 2.908 8.718) 9.190 8.453 ( 0.677 -6.693 -3.874) 7.763 9.491 ( 4.481 -3.608 -0.868) 5.818 10.038 ( -2.857 -1.245 -8.469) 9.025 10.256 ( 3.725 -1.197 -6.174) 7.309 10.782 ( -3.205 -6.909 14.395) 16.286 11.638 ( 6.672 4.302 4.499) 9.125 11.821 ( -0.621 9.653 -4.867) 10.828 16.208 ( 0.504 -0.713 -1.711) 1.921 16.321 ( 0.443 -2.712 3.067) 4.118 17.046 ( 0.521 1.748 -1.157) 2.160 17.182 ( -0.085 0.342 0.951) 1.014 17.481 ( -3.592 -0.673 0.437) 3.681 17.933 ( 3.399 0.961 0.825) 3.628 17.963 ( -4.831 2.448 -1.558) 5.635 18.614 ( 2.859 9.115 -5.287) 10.918 ======================= Grid point 188 (92/250) ======================= q-point: (-0.33 0.22 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -1.698 4.350 5.023) 6.858 1.264 ( -0.788 12.336 -0.814) 12.388 1.716 ( -9.441 -1.261 1.784) 9.690 1.914 ( -4.676 3.879 2.082) 6.422 2.122 ( -4.509 -2.123 3.450) 6.061 2.358 ( 1.382 1.459 4.265) 4.715 2.662 ( 4.450 -4.950 2.244) 7.024 2.970 ( 1.474 2.285 -1.449) 3.081 3.583 ( -4.099 -13.084 5.857) 14.909 4.343 ( 8.177 7.112 -4.553) 11.755 4.582 ( 7.623 -7.631 -2.991) 11.193 5.677 ( -3.065 8.724 -11.724) 14.932 6.131 ( -1.343 -2.320 0.273) 2.694 6.538 ( -1.218 -2.079 0.277) 2.425 6.634 ( -1.320 5.225 -5.461) 7.672 6.730 ( 2.508 1.719 -1.552) 3.414 7.020 ( -9.811 3.418 5.958) 11.977 7.424 ( 5.049 4.123 5.838) 8.750 7.787 ( 4.620 0.116 -3.348) 5.707 7.839 ( 1.241 -2.131 -3.296) 4.117 8.229 ( -3.665 2.383 7.360) 8.560 8.569 ( 1.944 -7.274 -5.391) 9.261 9.627 ( 6.215 -5.384 -0.180) 8.225 9.965 ( -4.489 0.081 -10.820) 11.714 10.270 ( 1.870 0.061 -4.553) 4.923 10.920 ( -2.586 -5.119 11.123) 12.514 11.287 ( 1.696 21.867 -14.143) 26.097 11.952 ( -1.912 -7.112 18.051) 19.496 16.225 ( 1.291 -1.188 -1.364) 2.222 16.406 ( 2.136 -2.829 4.828) 5.989 17.026 ( -1.038 -0.711 0.404) 1.321 17.201 ( 1.844 -0.481 2.014) 2.773 17.454 ( -4.070 -0.608 -0.162) 4.118 17.767 ( -6.435 7.369 -7.348) 12.235 17.990 ( 2.821 -0.268 0.553) 2.887 18.498 ( 4.037 6.525 -0.624) 7.698 ======================= Grid point 189 (93/250) ======================= q-point: (-0.22 0.22 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.531 11.527 3.060) 11.938 1.084 ( 3.218 5.599 8.757) 10.881 1.647 ( -6.430 1.765 4.449) 8.016 1.856 ( -6.976 -3.955 -2.232) 8.323 2.138 ( 0.059 -0.776 3.500) 3.586 2.377 ( 0.321 -0.260 3.095) 3.123 2.780 ( 4.610 -1.688 -0.117) 4.911 2.959 ( 0.758 -0.492 1.579) 1.819 3.802 ( -1.107 -11.802 4.616) 12.721 4.211 ( -0.108 10.298 2.798) 10.672 4.787 ( 11.092 -5.366 -11.994) 17.195 5.423 ( -7.148 6.548 -11.240) 14.843 6.148 ( -3.654 -2.934 -0.906) 4.773 6.510 ( 2.432 3.401 -4.530) 6.165 6.605 ( -2.940 -3.307 2.740) 5.205 6.754 ( 7.872 0.971 0.499) 7.947 6.892 ( -8.012 3.580 6.444) 10.887 7.434 ( 5.659 4.551 7.478) 10.424 7.803 ( 6.034 2.033 -3.657) 7.342 7.886 ( 2.137 -1.578 -2.376) 3.564 8.179 ( -5.690 1.390 6.742) 8.931 8.681 ( 1.177 -6.712 -8.140) 10.616 9.763 ( 2.985 -2.389 -3.059) 4.897 9.875 ( -2.461 -1.813 -9.077) 9.578 10.237 ( 0.690 3.956 -3.173) 5.118 10.844 ( -0.820 13.403 1.746) 13.541 11.115 ( 2.741 -4.762 -2.875) 6.201 12.074 ( -6.411 -3.270 13.595) 15.382 16.266 ( 2.395 -1.874 -0.920) 3.177 16.473 ( 0.163 -0.636 2.918) 2.991 17.076 ( -0.393 -4.544 3.818) 5.949 17.248 ( 2.371 -1.298 3.457) 4.388 17.406 ( -3.894 1.038 -4.597) 6.113 17.562 ( -2.321 5.685 -3.649) 7.143 17.992 ( 1.170 2.654 -1.533) 3.280 18.476 ( 4.095 1.231 3.670) 5.636 ======================= Grid point 190 (94/250) ======================= q-point: (-0.11 0.22 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 4.682 6.100 9.814) 12.468 1.100 ( 9.233 5.458 11.925) 16.039 1.590 ( -1.182 2.304 7.707) 8.130 1.865 ( -8.071 -6.860 -3.119) 11.042 2.183 ( 2.011 -1.580 2.107) 3.314 2.390 ( -0.110 0.010 0.803) 0.811 2.809 ( 1.789 1.047 0.333) 2.099 3.021 ( 0.909 -3.532 2.793) 4.594 3.878 ( -7.342 6.050 4.106) 10.362 4.140 ( 1.340 -5.039 2.757) 5.898 4.773 ( -1.590 5.565 -18.027) 18.933 5.321 ( 6.198 -2.288 -9.815) 11.831 6.157 ( -3.014 -2.603 -1.285) 4.185 6.468 ( -0.719 1.246 -0.156) 1.447 6.646 ( -1.857 -2.304 2.863) 4.117 6.802 ( -4.342 0.700 4.629) 6.385 6.882 ( 13.230 -0.707 5.209) 14.236 7.446 ( 5.924 4.842 7.327) 10.593 7.803 ( 2.296 0.907 -4.850) 5.442 7.914 ( 5.392 1.755 0.212) 5.675 8.123 ( -7.142 1.198 6.810) 9.941 8.736 ( -2.257 -4.861 -10.774) 12.033 9.698 ( -3.510 1.855 -7.302) 8.311 9.927 ( 0.863 -3.177 -3.154) 4.559 10.124 ( 2.133 7.852 -1.953) 8.368 10.734 ( 2.652 2.634 5.334) 6.513 11.244 ( 4.495 -6.067 -3.865) 8.482 12.067 ( -7.025 -0.869 3.239) 7.784 16.318 ( 0.906 -1.886 -1.635) 2.656 16.458 ( -1.154 1.311 -0.568) 1.837 17.125 ( -3.732 -0.185 1.210) 3.927 17.287 ( -2.105 0.668 -3.914) 4.494 17.401 ( 4.713 -5.369 7.856) 10.618 17.531 ( 4.651 -0.345 1.115) 4.795 17.912 ( -0.796 5.192 -1.949) 5.603 18.571 ( 4.247 -4.555 5.071) 8.031 ======================= Grid point 194 (95/250) ======================= q-point: ( 0.33 0.33 0.18) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -1.746 0.000 6.571) 6.799 1.766 ( 4.642 -0.000 9.664) 10.721 1.816 ( -3.854 0.000 2.723) 4.719 2.154 ( 4.703 -0.000 -0.399) 4.720 2.260 ( -4.226 0.000 -2.663) 4.994 2.313 ( -8.713 0.000 6.870) 11.096 2.710 ( -14.351 0.000 12.741) 19.191 2.853 ( -1.538 0.000 0.069) 1.540 3.152 ( -0.326 0.000 -0.405) 0.520 3.783 ( 8.707 -0.000 -14.057) 16.535 4.720 ( 6.665 -0.000 -3.470) 7.514 6.016 ( 15.584 -0.000 -14.177) 21.068 6.064 ( 0.318 -0.000 1.886) 1.913 6.454 ( -7.401 0.000 0.497) 7.417 6.695 ( 4.257 -0.000 1.295) 4.450 7.058 ( -0.704 0.000 -0.170) 0.725 7.432 ( -17.278 0.000 2.323) 17.433 7.483 ( 6.351 -0.000 -3.696) 7.348 7.623 ( 2.408 -0.000 3.184) 3.992 8.010 ( -9.053 0.000 -4.777) 10.235 8.223 ( 1.855 -0.000 2.435) 3.061 8.277 ( 2.879 -0.000 6.398) 7.016 9.464 ( -3.184 0.000 -4.350) 5.391 10.011 ( 4.365 -0.000 -9.747) 10.680 10.118 ( 1.728 -0.000 5.605) 5.865 10.512 ( -2.224 0.000 15.551) 15.709 11.325 ( 3.934 -0.000 7.034) 8.059 12.459 ( 10.952 -0.000 -24.177) 26.542 16.185 ( 1.779 -0.000 -0.619) 1.884 16.262 ( -4.770 0.000 -0.171) 4.774 17.130 ( 1.593 -0.000 1.090) 1.931 17.227 ( 3.461 -0.000 -8.296) 8.989 17.496 ( -3.930 0.000 0.377) 3.948 17.914 ( 5.833 -0.000 4.333) 7.267 18.006 ( -4.191 0.000 4.958) 6.492 18.949 ( -0.343 0.000 -8.516) 8.523 ======================= Grid point 195 (96/250) ======================= q-point: ( 0.44 0.33 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -2.849 -1.088 5.977) 6.711 1.751 ( -2.581 4.470 3.204) 6.075 1.827 ( -2.487 -1.005 4.909) 5.595 2.110 ( -8.067 3.943 -1.023) 9.037 2.195 ( -1.091 1.523 -0.653) 1.984 2.298 ( -6.459 -3.289 8.589) 11.238 2.613 ( -2.323 4.717 7.687) 9.313 2.908 ( -3.392 -7.170 0.335) 7.939 3.150 ( -1.077 -0.890 0.405) 1.455 3.895 ( 12.767 -5.981 -10.309) 17.466 4.749 ( 7.671 3.691 -2.167) 8.785 6.049 ( 4.078 2.907 -6.946) 8.563 6.087 ( 5.269 0.346 -4.200) 6.747 6.403 ( -5.887 -2.401 -0.114) 6.359 6.734 ( 2.886 -0.359 -3.619) 4.643 7.004 ( -3.402 2.636 -3.868) 5.787 7.258 ( -12.933 2.166 2.609) 13.370 7.531 ( 5.873 2.332 1.423) 6.478 7.663 ( 2.341 -0.999 1.115) 2.778 7.864 ( -9.664 0.251 -5.877) 11.314 8.267 ( -0.771 -3.305 -0.324) 3.409 8.349 ( 4.039 1.370 8.926) 9.892 9.419 ( -0.727 -0.536 -4.016) 4.117 10.002 ( 0.478 -0.670 -8.189) 8.231 10.174 ( 0.516 -2.462 2.500) 3.546 10.614 ( 2.092 -2.454 16.825) 17.131 11.450 ( 5.187 -4.256 11.602) 13.403 12.364 ( 7.806 9.736 -23.318) 26.447 16.200 ( 0.710 0.390 -0.277) 0.856 16.243 ( -0.630 -1.755 1.065) 2.148 17.137 ( 2.767 1.911 -0.181) 3.368 17.211 ( 1.276 1.316 -5.201) 5.514 17.463 ( -3.202 -0.319 0.544) 3.263 17.950 ( 0.064 1.172 3.746) 3.926 18.004 ( -1.617 -0.807 2.157) 2.814 18.861 ( -0.434 4.178 -10.124) 10.961 ======================= Grid point 196 (97/250) ======================= q-point: (-0.44 -0.67 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -2.103 -1.455 4.561) 5.229 1.647 ( -0.494 7.011 3.266) 7.750 1.775 ( -7.753 3.949 1.326) 8.801 1.922 ( -16.063 -0.570 -3.239) 16.396 2.150 ( -0.884 2.775 2.186) 3.641 2.353 ( -2.663 -2.615 9.622) 10.321 2.583 ( 3.340 1.590 2.771) 4.622 3.001 ( 1.525 -3.367 -0.621) 3.748 3.188 ( -4.472 -6.876 4.162) 9.198 4.135 ( 15.118 -9.362 -8.112) 19.545 4.727 ( 6.457 7.015 0.608) 9.554 5.950 ( -0.705 6.235 -10.029) 11.830 6.095 ( 0.070 0.154 -1.734) 1.742 6.414 ( -3.619 -4.182 -0.936) 5.609 6.726 ( -0.136 -0.226 -8.881) 8.884 6.869 ( -3.782 5.422 -3.316) 7.396 7.134 ( -7.225 2.518 4.677) 8.968 7.541 ( 4.029 2.916 3.415) 6.034 7.709 ( 2.747 -1.384 -1.397) 3.378 7.797 ( -2.607 -2.034 -2.853) 4.367 8.302 ( -1.575 -2.100 -2.735) 3.791 8.388 ( 1.197 0.294 7.308) 7.412 9.454 ( 2.362 -3.955 -2.031) 5.034 9.967 ( -1.877 0.048 -7.116) 7.359 10.222 ( -0.498 -2.374 -0.021) 2.425 10.760 ( 2.506 -2.982 14.291) 14.813 11.667 ( 4.290 -7.169 15.900) 17.961 12.078 ( 4.195 18.462 -21.262) 28.469 16.198 ( 0.174 -0.227 -0.064) 0.293 16.309 ( 3.221 -2.623 3.356) 5.340 17.100 ( 1.461 4.168 -3.631) 5.718 17.193 ( 0.718 0.021 1.263) 1.453 17.442 ( -2.668 -0.214 0.624) 2.748 17.920 ( -6.519 0.367 -2.262) 6.910 17.996 ( 1.893 1.844 2.306) 3.508 18.729 ( 0.796 5.712 -9.324) 10.964 ======================= Grid point 197 (98/250) ======================= q-point: (-0.33 -0.67 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 2.231 -0.512 3.915) 4.535 1.486 ( -1.947 13.206 -0.175) 13.350 1.601 ( -10.987 0.388 2.276) 11.227 1.808 ( -11.922 -2.878 -3.688) 12.807 2.113 ( -2.772 0.607 3.764) 4.714 2.390 ( -1.209 0.199 6.777) 6.887 2.659 ( 4.757 -3.187 3.653) 6.792 3.021 ( 2.666 2.203 -2.548) 4.295 3.354 ( -2.920 -12.855 7.359) 15.098 4.425 ( 16.371 -7.633 -9.052) 20.204 4.645 ( 2.063 7.503 4.630) 9.055 5.728 ( -5.620 9.300 -13.712) 17.495 6.078 ( -3.064 -1.029 -0.903) 3.355 6.452 ( -2.673 -4.415 -1.010) 5.259 6.643 ( -3.590 1.909 -10.139) 10.924 6.786 ( 1.946 1.954 0.276) 2.772 7.043 ( -3.690 4.242 5.862) 8.122 7.553 ( 3.447 2.241 4.259) 5.920 7.761 ( 2.648 -1.693 -2.040) 3.747 7.825 ( 0.948 -2.926 -1.908) 3.620 8.279 ( 0.587 2.809 0.359) 2.892 8.452 ( -1.033 -5.202 0.185) 5.307 9.571 ( 3.661 -6.258 -0.928) 7.309 9.896 ( -3.316 1.382 -6.776) 7.669 10.252 ( -0.199 -1.724 -0.396) 1.780 10.891 ( 1.933 -3.319 10.190) 10.890 11.641 ( 2.708 23.719 -18.334) 30.101 11.896 ( -1.151 -6.677 17.554) 18.816 16.215 ( 1.144 -0.901 0.347) 1.497 16.416 ( 4.201 -2.518 5.084) 7.059 17.025 ( -1.043 2.159 -1.639) 2.904 17.226 ( 2.580 -0.529 2.532) 3.654 17.416 ( -2.515 0.331 -0.317) 2.556 17.775 ( -6.990 4.798 -6.466) 10.662 18.016 ( 1.656 -0.342 1.916) 2.555 18.607 ( 0.998 5.097 -6.718) 8.492 ======================= Grid point 198 (99/250) ======================= q-point: (-0.22 0.33 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.946 7.339 4.214) 8.516 1.283 ( 5.234 4.524 3.613) 7.805 1.542 ( -7.454 -2.908 0.835) 8.045 1.721 ( -9.521 -1.483 -2.489) 9.952 2.110 ( -3.524 -2.059 3.772) 5.557 2.399 ( -0.536 0.410 4.882) 4.929 2.790 ( 4.567 -3.595 3.374) 6.721 2.978 ( -0.403 2.375 -1.970) 3.112 3.612 ( 1.683 -13.296 7.118) 15.175 4.401 ( -2.350 11.804 0.488) 12.046 4.774 ( 14.510 -6.874 -5.870) 17.096 5.415 ( -8.978 9.088 -14.686) 19.465 6.076 ( -1.365 -1.918 -0.509) 2.408 6.501 ( -1.356 -3.003 -1.479) 3.611 6.542 ( -4.053 -0.204 -4.132) 5.791 6.796 ( -0.059 -0.003 2.693) 2.694 6.987 ( 4.806 4.637 4.822) 8.237 7.567 ( 2.165 1.943 4.392) 5.268 7.788 ( 1.115 -0.886 -3.143) 3.451 7.880 ( -0.751 -3.153 -1.230) 3.467 8.242 ( 3.752 4.715 3.281) 6.861 8.531 ( -1.946 -6.682 -6.071) 9.235 9.708 ( 1.041 -4.790 -1.416) 5.102 9.807 ( -1.311 0.579 -5.900) 6.072 10.274 ( 1.350 -0.165 -0.574) 1.476 11.007 ( 1.816 -2.405 8.252) 8.785 11.196 ( 2.058 19.183 -13.101) 23.321 12.017 ( -5.955 -2.907 13.403) 14.952 16.252 ( 1.246 -1.507 0.323) 1.982 16.493 ( 1.617 0.201 2.995) 3.410 17.022 ( -0.372 -2.741 2.784) 3.924 17.269 ( 0.335 0.232 3.932) 3.953 17.384 ( 0.821 0.240 -3.655) 3.753 17.608 ( -2.575 4.313 -4.189) 6.541 18.034 ( 0.638 1.072 0.434) 1.321 18.523 ( -0.031 1.776 -4.006) 4.382 ======================= Grid point 199 (100/250) ======================= q-point: (-0.11 0.33 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 4.300 5.269 8.523) 10.904 1.347 ( 11.897 4.691 7.909) 15.037 1.560 ( -3.496 -5.658 -0.481) 6.668 1.659 ( -8.333 -3.712 -0.699) 9.150 2.141 ( -3.286 -3.590 3.264) 5.860 2.411 ( 0.270 0.301 3.687) 3.709 2.850 ( 0.506 2.383 0.016) 2.436 2.967 ( -0.947 -3.917 1.346) 4.249 3.865 ( 1.654 -6.456 5.050) 8.362 4.150 ( -7.340 8.042 2.908) 11.270 4.820 ( 0.680 9.271 -16.988) 19.366 5.279 ( 6.902 -5.423 -8.176) 11.996 6.102 ( 0.233 -1.440 -0.730) 1.631 6.456 ( -3.297 0.103 -0.745) 3.382 6.596 ( -0.010 -4.359 2.441) 4.996 6.790 ( -3.124 0.450 5.276) 6.148 7.042 ( 11.945 1.236 2.961) 12.368 7.560 ( -0.575 1.595 1.731) 2.423 7.800 ( 3.179 0.642 -1.048) 3.409 7.891 ( -6.897 -3.380 -1.550) 7.835 8.223 ( 6.100 5.686 5.291) 9.876 8.571 ( -3.622 -5.054 -10.212) 11.957 9.649 ( -6.250 1.809 -3.828) 7.549 9.887 ( 5.754 -3.839 -2.170) 7.250 10.257 ( 3.292 4.324 -3.987) 6.740 10.888 ( 0.264 11.123 7.515) 13.427 11.172 ( 6.018 -6.833 -5.171) 10.471 12.000 ( -8.547 0.313 5.715) 10.286 16.284 ( -0.316 -1.348 -0.997) 1.706 16.472 ( -1.277 1.996 -0.282) 2.386 17.089 ( -2.088 -1.843 3.469) 4.448 17.239 ( -3.351 -0.078 0.125) 3.355 17.425 ( 4.517 -0.982 1.602) 4.893 17.588 ( 6.914 -1.112 0.692) 7.037 17.979 ( -1.321 4.430 -0.770) 4.687 18.530 ( 0.149 -4.093 -1.714) 4.440 ======================= Grid point 204 (101/250) ======================= q-point: (-0.56 -0.56 0.18) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -3.323 0.000 6.745) 7.520 1.762 ( -10.302 0.000 0.764) 10.330 1.763 ( -4.642 0.000 3.229) 5.654 2.063 ( -9.571 0.000 -1.105) 9.634 2.164 ( -2.383 0.000 -2.194) 3.240 2.301 ( 0.073 -0.000 14.385) 14.385 2.710 ( 0.556 -0.000 12.764) 12.776 2.761 ( -4.711 0.000 -7.157) 8.568 3.134 ( -0.543 0.000 -1.540) 1.633 3.955 ( 15.900 -0.000 -6.334) 17.115 4.858 ( 8.606 -0.000 -1.656) 8.764 6.057 ( -3.273 0.000 0.590) 3.325 6.128 ( 5.936 -0.000 -11.416) 12.867 6.308 ( -5.892 0.000 -2.590) 6.436 6.713 ( -0.795 0.000 -9.429) 9.463 6.978 ( -2.838 0.000 -4.058) 4.953 7.175 ( -7.994 0.000 3.274) 8.639 7.642 ( 6.852 -0.000 1.495) 7.013 7.658 ( -1.744 0.000 2.422) 2.985 7.752 ( -4.812 0.000 -4.635) 6.681 8.222 ( -2.183 0.000 -0.689) 2.289 8.434 ( 2.137 -0.000 6.950) 7.272 9.382 ( -0.571 0.000 -3.768) 3.811 9.969 ( 0.110 -0.000 -5.926) 5.927 10.164 ( -1.586 0.000 4.560) 4.827 10.714 ( 4.930 -0.000 16.702) 17.414 11.521 ( 5.610 -0.000 12.562) 13.758 12.421 ( 7.316 -0.000 -24.613) 25.677 16.207 ( -0.660 0.000 1.320) 1.476 16.247 ( 3.553 -0.000 1.704) 3.940 17.179 ( 1.802 -0.000 1.824) 2.564 17.222 ( 2.761 -0.000 -7.603) 8.089 17.435 ( -2.120 0.000 0.513) 2.181 17.905 ( -7.842 0.000 0.622) 7.867 18.037 ( 1.895 -0.000 3.712) 4.168 18.836 ( -0.684 0.000 -12.501) 12.520 ======================= Grid point 205 (102/250) ======================= q-point: (-0.44 -0.56 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -2.654 -1.352 5.829) 6.546 1.642 ( -12.954 -0.914 0.024) 12.986 1.707 ( -9.734 0.133 0.495) 9.748 1.902 ( -3.643 8.864 1.054) 9.642 2.125 ( -5.493 -0.731 -3.094) 6.346 2.386 ( 1.569 -0.205 14.650) 14.735 2.630 ( -1.460 2.002 -2.606) 3.595 2.897 ( 0.871 -9.563 7.733) 12.329 3.118 ( -0.774 0.260 -2.096) 2.249 4.150 ( 17.219 -5.025 -3.708) 18.317 4.897 ( 6.246 4.407 -0.206) 7.647 5.982 ( -3.916 4.135 -4.885) 7.503 6.081 ( -1.853 1.605 -7.446) 7.839 6.287 ( -3.574 -4.521 -4.278) 7.177 6.643 ( -3.682 -0.717 -12.878) 13.413 6.901 ( -2.999 3.007 -2.278) 4.820 7.136 ( -1.855 0.976 3.958) 4.479 7.609 ( -0.327 1.832 0.281) 1.882 7.711 ( -0.986 -3.066 -1.828) 3.703 7.759 ( 5.392 0.729 3.120) 6.272 8.218 ( -2.006 -2.983 -2.306) 4.271 8.448 ( -0.704 1.707 3.781) 4.208 9.399 ( 1.518 -2.956 -1.374) 3.596 9.941 ( -0.635 0.934 -3.270) 3.460 10.177 ( -2.331 -1.775 3.378) 4.471 10.834 ( 3.842 -0.283 13.822) 14.349 11.674 ( 3.955 -4.459 14.674) 15.838 12.289 ( 6.450 10.754 -24.325) 27.367 16.213 ( 1.443 0.681 2.298) 2.797 16.321 ( 4.258 -2.414 3.741) 6.161 17.170 ( 1.119 4.257 -5.839) 7.313 17.210 ( 1.761 -0.300 1.833) 2.559 17.424 ( -1.051 -0.101 0.408) 1.132 17.827 ( -8.415 -0.854 -2.074) 8.709 18.040 ( -1.104 1.307 1.579) 2.328 18.755 ( 0.776 2.613 -12.279) 12.578 ======================= Grid point 206 (103/250) ======================= q-point: (-0.33 -0.56 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -1.888 -3.973 3.214) 5.448 1.516 ( -16.689 3.454 -4.040) 17.515 1.552 ( -8.571 -0.617 3.027) 9.111 1.760 ( 2.956 8.060 1.443) 8.706 2.063 ( -7.177 -1.301 -0.474) 7.309 2.427 ( -1.086 1.534 7.966) 8.184 2.651 ( 2.253 -3.650 1.784) 4.646 3.077 ( 2.179 2.403 -3.141) 4.515 3.149 ( 0.027 -12.564 9.783) 15.923 4.431 ( 17.837 -7.783 -3.181) 19.719 4.818 ( -0.388 8.501 1.740) 8.686 5.767 ( -6.081 9.439 -14.428) 18.282 6.029 ( -1.955 -0.786 -1.465) 2.566 6.328 ( -2.479 -5.587 -3.772) 7.182 6.552 ( -5.151 -0.574 -12.237) 13.290 6.830 ( -1.100 1.955 1.418) 2.654 7.123 ( 2.153 2.649 3.736) 5.061 7.590 ( -1.480 0.045 0.337) 1.519 7.736 ( -1.890 -2.263 -2.051) 3.592 7.822 ( 5.677 0.462 3.789) 6.841 8.271 ( 1.678 -5.166 -4.465) 7.031 8.411 ( -1.751 2.125 1.757) 3.266 9.495 ( 2.838 -5.511 -0.334) 6.208 9.887 ( -1.633 2.617 -1.787) 3.565 10.209 ( -1.520 -2.630 2.517) 3.945 10.922 ( 1.811 -0.810 8.516) 8.744 11.852 ( -1.773 -4.736 15.370) 16.181 11.978 ( 6.273 19.048 -20.798) 28.892 16.232 ( 2.032 0.531 2.541) 3.297 16.442 ( 5.036 -2.974 5.759) 8.208 17.061 ( -1.511 4.527 -3.484) 5.909 17.254 ( 2.802 -0.857 2.561) 3.891 17.410 ( -0.643 0.893 -0.437) 1.184 17.728 ( -7.391 1.262 -4.953) 8.986 18.014 ( -2.154 -0.711 0.235) 2.280 18.653 ( 0.675 4.425 -10.437) 11.357 ======================= Grid point 207 (104/250) ======================= q-point: (-0.22 -0.56 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -12.655 -4.886 -0.107) 13.566 1.330 ( -0.527 0.749 -0.030) 0.916 1.536 ( -1.004 -0.905 5.676) 5.834 1.652 ( -0.240 6.511 -1.163) 6.618 2.033 ( -6.381 -2.621 2.843) 7.461 2.416 ( -1.753 0.585 3.958) 4.369 2.768 ( 2.244 -4.851 3.405) 6.338 3.011 ( -1.438 3.510 -3.038) 4.860 3.450 ( 5.102 -13.202 9.265) 16.916 4.561 ( -3.989 10.433 -2.386) 11.421 4.793 ( 14.807 -6.917 1.011) 16.374 5.428 ( -8.835 11.378 -17.655) 22.786 6.054 ( 2.865 -1.345 0.410) 3.192 6.398 ( -1.089 -6.318 -2.140) 6.759 6.457 ( -5.318 -0.377 -8.084) 9.683 6.815 ( -1.036 0.780 4.501) 4.684 7.128 ( 5.659 2.679 1.797) 6.514 7.565 ( -5.111 -0.893 -0.576) 5.220 7.741 ( -2.484 -2.293 -1.882) 3.869 7.876 ( 3.761 1.261 4.118) 5.718 8.347 ( -8.347 -4.379 -1.927) 9.621 8.396 ( 12.031 0.982 -4.008) 12.719 9.620 ( 1.150 -5.392 -1.959) 5.851 9.818 ( 0.765 2.495 -0.428) 2.645 10.258 ( -0.093 -2.589 1.935) 3.233 10.985 ( 0.802 -2.913 1.013) 3.186 11.547 ( 0.677 22.541 -8.407) 24.068 11.976 ( -3.266 -2.199 10.518) 11.231 16.255 ( 1.398 0.128 1.995) 2.439 16.533 ( 1.903 0.469 3.210) 3.761 17.001 ( -0.447 -0.418 1.579) 1.693 17.299 ( -0.306 1.090 4.131) 4.283 17.390 ( 2.836 -0.277 -3.262) 4.332 17.617 ( -2.732 1.851 -3.288) 4.659 18.026 ( -1.736 -2.261 -0.022) 2.851 18.523 ( -2.155 4.100 -9.238) 10.334 ======================= Grid point 208 (105/250) ======================= q-point: (-0.11 -0.56 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -6.875 -5.820 3.626) 9.710 1.418 ( 0.404 -7.292 1.134) 7.390 1.516 ( -1.569 6.400 -1.775) 6.824 1.619 ( 7.956 -0.032 7.630) 11.024 2.045 ( -5.533 -3.709 4.721) 8.165 2.414 ( -1.837 -0.789 2.718) 3.374 2.879 ( -1.437 -4.734 -0.006) 4.947 2.904 ( -1.369 4.327 -0.566) 4.573 3.770 ( 6.556 -11.581 6.811) 14.949 4.254 ( -11.363 13.006 1.207) 17.313 4.944 ( 2.520 11.046 -14.929) 18.741 5.211 ( 7.563 -6.966 -6.455) 12.140 6.105 ( 3.070 0.051 -0.461) 3.105 6.406 ( -2.259 -1.715 -1.507) 3.212 6.508 ( 0.857 -6.853 0.069) 6.907 6.804 ( -2.575 1.315 6.055) 6.710 7.169 ( 7.326 0.539 -0.471) 7.361 7.513 ( -7.598 -1.603 -1.802) 7.972 7.739 ( -4.529 -2.101 -2.186) 5.450 7.902 ( 4.263 2.351 5.335) 7.223 8.301 ( -8.282 -2.189 -1.392) 8.679 8.490 ( 11.123 1.049 -6.591) 12.972 9.605 ( -5.426 1.608 -2.538) 6.202 9.896 ( 9.925 -3.564 -1.167) 10.610 10.294 ( 0.475 -0.383 -1.678) 1.786 11.064 ( 2.830 -6.087 -10.602) 12.548 11.185 ( -1.494 16.867 10.822) 20.096 11.964 ( -6.744 1.741 6.619) 9.609 16.267 ( 0.032 0.093 0.235) 0.255 16.496 ( -2.216 2.866 -0.617) 3.675 17.055 ( -0.378 -2.404 4.536) 5.148 17.234 ( -2.993 2.943 0.171) 4.201 17.456 ( 3.835 -1.272 1.078) 4.182 17.630 ( 6.501 -2.607 0.906) 7.062 18.022 ( -1.925 1.664 0.198) 2.552 18.424 ( -3.885 -2.291 -8.263) 9.413 ======================= Grid point 214 (106/250) ======================= q-point: (-0.44 -0.44 0.18) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -5.654 0.000 6.073) 8.298 1.448 ( -17.627 0.000 -2.895) 17.863 1.648 ( -6.322 0.000 1.839) 6.584 1.988 ( 1.452 -0.000 2.535) 2.921 2.018 ( -9.736 0.000 -4.294) 10.641 2.470 ( 1.165 -0.000 13.140) 13.191 2.583 ( -3.776 0.000 -6.366) 7.401 2.869 ( 2.092 -0.000 12.422) 12.597 3.121 ( 2.512 -0.000 -3.026) 3.933 4.279 ( 17.891 -0.000 -0.451) 17.897 4.982 ( 2.015 -0.000 -0.363) 2.048 5.975 ( -2.321 0.000 0.216) 2.331 6.022 ( -5.326 0.000 -14.299) 15.259 6.178 ( -2.229 0.000 -5.885) 6.293 6.531 ( -4.281 0.000 -14.697) 15.308 6.881 ( -3.830 0.000 -0.573) 3.873 7.164 ( 2.091 -0.000 2.576) 3.318 7.599 ( -5.940 0.000 2.570) 6.473 7.683 ( 3.912 -0.000 -4.190) 5.732 7.848 ( 5.309 -0.000 5.365) 7.548 8.156 ( -2.342 0.000 -1.354) 2.705 8.456 ( -1.288 0.000 -1.145) 1.723 9.390 ( 2.253 -0.000 0.749) 2.375 9.945 ( 0.391 -0.000 0.036) 0.393 10.148 ( -3.290 0.000 4.118) 5.271 10.922 ( 1.669 -0.000 10.976) 11.102 11.733 ( 2.522 -0.000 13.743) 13.973 12.349 ( 8.110 -0.000 -24.955) 26.239 16.270 ( 3.867 -0.000 5.438) 6.673 16.353 ( 3.997 -0.000 4.170) 5.776 17.194 ( 0.172 -0.000 -5.912) 5.914 17.235 ( 2.007 -0.000 1.917) 2.775 17.418 ( 0.260 -0.000 -0.825) 0.865 17.715 ( -9.451 0.000 -1.765) 9.614 18.017 ( -5.316 0.000 -2.287) 5.787 18.744 ( 3.435 -0.000 -11.811) 12.301 ======================= Grid point 215 (107/250) ======================= q-point: (-0.33 -0.44 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -10.889 -2.158 4.502) 11.978 1.275 ( -18.549 -3.199 -3.640) 19.172 1.587 ( -0.085 3.532 3.119) 4.712 1.886 ( -10.306 0.463 -2.562) 10.630 1.981 ( 2.373 3.594 1.646) 4.610 2.464 ( -3.343 1.466 2.512) 4.431 2.614 ( 2.385 -3.303 3.627) 5.455 2.995 ( -2.090 -6.310 7.756) 10.215 3.155 ( 7.497 -0.380 1.266) 7.613 4.503 ( 17.638 -4.263 0.700) 18.159 4.919 ( -4.908 5.291 0.276) 7.222 5.790 ( -7.389 8.131 -16.092) 19.485 6.006 ( 2.811 -1.616 -0.091) 3.243 6.189 ( -0.701 -4.867 -6.110) 7.843 6.430 ( -4.047 -0.822 -13.928) 14.527 6.843 ( -2.434 0.702 2.714) 3.713 7.189 ( 2.337 0.759 0.780) 2.578 7.542 ( -7.590 -0.160 2.206) 7.906 7.697 ( 0.182 -0.519 -3.217) 3.264 7.913 ( 4.470 0.755 5.580) 7.190 8.167 ( -1.725 -3.433 -1.025) 3.977 8.442 ( 3.570 0.314 -3.955) 5.337 9.448 ( 2.491 -3.096 0.755) 4.045 9.931 ( 0.452 2.761 2.057) 3.472 10.157 ( -2.617 -2.451 4.070) 5.424 10.955 ( -1.261 0.374 4.564) 4.749 11.832 ( -1.493 -2.803 13.148) 13.526 12.227 ( 8.335 11.335 -21.729) 25.886 16.309 ( 3.949 2.847 5.725) 7.515 16.463 ( 4.741 -3.734 6.472) 8.849 17.110 ( -2.073 4.924 -4.387) 6.913 17.275 ( 2.265 -1.053 2.251) 3.363 17.418 ( 0.563 0.147 -2.379) 2.449 17.630 ( -7.479 -1.266 -2.052) 7.858 17.936 ( -7.321 -1.307 -5.484) 9.240 18.705 ( 4.106 4.173 -9.845) 11.454 ======================= Grid point 216 (108/250) ======================= q-point: (-0.22 -0.44 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -15.937 -3.750 2.561) 16.572 1.168 ( -13.613 -6.545 -1.780) 15.209 1.596 ( 4.141 0.080 6.130) 7.398 1.765 ( -5.445 3.551 -0.466) 6.517 1.964 ( 1.544 1.135 1.698) 2.561 2.421 ( -2.473 1.090 1.382) 3.036 2.712 ( 0.870 -4.117 2.256) 4.774 3.025 ( -2.150 0.761 -0.568) 2.350 3.363 ( 8.595 -9.321 9.281) 15.713 4.649 ( -4.735 6.656 -4.494) 9.323 4.850 ( 12.057 -4.257 5.863) 14.066 5.461 ( -7.729 11.179 -18.766) 23.170 6.089 ( 6.995 -1.106 0.714) 7.118 6.259 ( 0.074 -6.254 -4.906) 7.949 6.360 ( -2.425 -1.519 -9.643) 10.059 6.834 ( -1.788 0.343 5.469) 5.764 7.194 ( 1.528 0.622 -1.126) 1.998 7.458 ( -10.987 -0.560 0.600) 11.017 7.692 ( -1.796 -1.583 -2.166) 3.229 7.964 ( 3.502 1.115 6.055) 7.083 8.178 ( -6.109 -2.781 -2.153) 7.049 8.516 ( 13.078 -0.728 -4.968) 14.009 9.537 ( 1.400 -4.421 -2.346) 5.197 9.896 ( 2.604 3.306 3.569) 5.518 10.207 ( -1.544 -3.473 3.572) 5.216 10.934 ( -3.143 -0.948 -4.272) 5.387 11.814 ( -7.818 9.511 4.468) 13.097 12.030 ( 7.171 7.725 -4.497) 11.460 16.314 ( 2.502 2.930 4.574) 5.981 16.568 ( 1.130 -0.078 3.385) 3.570 17.012 ( -0.449 1.614 0.796) 1.854 17.332 ( 0.938 -0.130 4.426) 4.526 17.394 ( 1.066 0.052 -4.366) 4.494 17.589 ( -2.144 -0.901 -0.982) 2.524 17.899 ( -6.211 -5.821 -6.148) 10.500 18.577 ( 0.076 8.341 -8.383) 11.826 ======================= Grid point 217 (109/250) ======================= q-point: (-0.11 -0.44 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -12.198 -8.354 1.955) 14.913 1.221 ( -7.487 -10.839 2.338) 13.380 1.627 ( -4.949 2.361 2.477) 6.017 1.726 ( 8.138 0.258 7.066) 10.781 1.989 ( 2.085 -0.666 2.522) 3.339 2.387 ( -2.946 0.260 1.034) 3.133 2.783 ( -1.386 -3.702 -1.694) 4.301 2.962 ( -1.201 3.578 0.410) 3.797 3.675 ( 8.070 -11.448 7.710) 15.988 4.358 ( -11.690 12.255 -0.669) 16.950 5.098 ( -3.200 13.254 -17.448) 22.143 5.151 ( 14.109 -9.061 0.191) 16.769 6.150 ( 3.853 0.964 -2.137) 4.510 6.352 ( 2.759 -3.650 -0.657) 4.623 6.387 ( 1.349 -6.834 -4.008) 8.036 6.828 ( -2.803 1.167 6.926) 7.562 7.199 ( 1.207 -0.793 -2.815) 3.164 7.357 ( -12.959 -2.354 -0.129) 13.171 7.690 ( -2.283 -1.491 -2.066) 3.420 8.005 ( 3.789 1.622 6.295) 7.525 8.135 ( -7.620 -2.338 -2.965) 8.504 8.632 ( 13.406 1.715 -5.737) 14.683 9.569 ( -1.066 -0.383 -3.708) 3.877 9.953 ( 9.940 -1.643 0.789) 10.106 10.258 ( -1.951 -2.373 1.146) 3.278 10.912 ( -2.741 -5.292 -11.908) 13.317 11.491 ( -7.853 16.922 8.367) 20.446 11.999 ( 0.028 3.779 5.485) 6.660 16.298 ( 0.778 2.569 1.854) 3.262 16.516 ( -3.447 3.149 -0.990) 4.773 17.046 ( 1.045 -1.277 4.814) 5.089 17.270 ( -2.456 4.107 -0.243) 4.792 17.466 ( 2.847 -2.529 2.550) 4.583 17.638 ( 5.099 -3.882 1.272) 6.534 17.941 ( -3.998 -7.218 -5.378) 9.849 18.371 ( -4.516 7.041 -7.170) 11.017 ======================= Grid point 224 (110/250) ======================= q-point: (-0.33 -0.33 0.18) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -15.199 0.000 6.522) 16.540 1.031 ( -19.482 0.000 -2.350) 19.623 1.671 ( 6.239 -0.000 2.708) 6.801 1.687 ( -19.035 0.000 -1.532) 19.096 2.094 ( 6.437 -0.000 0.171) 6.440 2.437 ( -2.594 0.000 -1.196) 2.857 2.637 ( 2.035 -0.000 5.306) 5.683 2.956 ( -1.089 0.000 6.029) 6.126 3.242 ( 8.245 -0.000 3.894) 9.119 4.642 ( 14.286 -0.000 0.349) 14.290 4.903 ( -6.594 0.000 2.122) 6.927 5.700 ( -9.889 0.000 -18.277) 20.781 6.039 ( 6.738 -0.000 -1.742) 6.960 6.139 ( 4.399 -0.000 -3.644) 5.712 6.326 ( -1.881 0.000 -14.331) 14.454 6.837 ( -2.689 0.000 4.650) 5.371 7.205 ( 0.039 -0.000 -1.309) 1.310 7.468 ( -9.197 0.000 3.011) 9.678 7.642 ( -7.635 0.000 -2.719) 8.105 7.979 ( 2.585 -0.000 5.198) 5.805 8.147 ( 2.049 -0.000 1.606) 2.603 8.476 ( 8.917 -0.000 -6.294) 10.914 9.446 ( 1.789 -0.000 0.111) 1.792 9.989 ( 2.191 -0.000 3.723) 4.320 10.120 ( -3.291 0.000 5.287) 6.228 10.934 ( -4.706 0.000 -2.521) 5.339 11.843 ( -3.046 0.000 11.167) 11.575 12.324 ( 8.881 -0.000 -19.765) 21.669 16.450 ( 6.327 -0.000 9.186) 11.154 16.474 ( 2.858 -0.000 6.053) 6.694 17.122 ( -2.458 0.000 -3.810) 4.534 17.285 ( 0.591 -0.000 1.269) 1.400 17.387 ( -1.716 0.000 -6.035) 6.275 17.557 ( -3.138 0.000 1.705) 3.571 17.794 ( -9.860 0.000 -9.448) 13.656 18.769 ( 7.063 -0.000 -8.453) 11.015 ======================= Grid point 225 (111/250) ======================= q-point: (-0.22 -0.33 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -16.399 -0.491 6.934) 17.811 0.893 ( -16.098 -6.311 2.098) 17.418 1.507 ( -18.887 -3.384 3.298) 19.469 1.773 ( 7.672 -0.929 2.857) 8.239 2.106 ( 7.365 5.533 -1.256) 9.296 2.415 ( -1.201 0.297 -0.610) 1.379 2.681 ( 0.617 -1.445 2.093) 2.617 2.996 ( -0.792 -2.052 2.420) 3.270 3.381 ( 8.728 -3.796 7.636) 12.202 4.656 ( -7.057 3.724 -5.450) 9.663 4.945 ( 11.170 -1.925 7.626) 13.661 5.461 ( -7.190 6.443 -18.585) 20.943 6.103 ( 3.930 -2.959 -7.144) 8.674 6.224 ( 9.358 -1.019 1.473) 9.528 6.276 ( 1.117 -1.640 -11.057) 11.234 6.836 ( -2.922 -0.349 6.696) 7.314 7.187 ( -1.641 -0.021 -1.751) 2.400 7.354 ( -12.199 1.947 1.726) 12.474 7.564 ( -11.147 -4.413 -1.898) 12.138 8.021 ( 1.054 -0.248 5.060) 5.175 8.162 ( 2.370 2.665 1.657) 3.932 8.598 ( 14.906 -2.884 -6.647) 16.574 9.479 ( 1.317 -2.552 -2.827) 4.030 10.001 ( 3.094 2.847 4.753) 6.346 10.147 ( -2.520 -3.092 5.014) 6.407 10.841 ( -6.896 -0.101 -10.904) 12.902 11.833 ( -7.722 1.671 8.624) 11.696 12.246 ( 7.307 8.820 -11.346) 16.122 16.446 ( 2.922 5.436 6.712) 9.118 16.581 ( -0.115 -0.710 3.217) 3.297 17.052 ( 0.448 2.414 1.385) 2.819 17.326 ( -0.617 -4.792 -1.279) 4.998 17.363 ( -0.766 -0.129 -1.135) 1.375 17.558 ( -0.054 -0.575 0.991) 1.147 17.686 ( -8.159 -4.364 -10.030) 13.646 18.723 ( 4.324 8.935 -7.159) 12.238 ======================= Grid point 226 (112/250) ======================= q-point: (-0.11 -0.33 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -13.035 -4.667 6.165) 15.156 0.951 ( -8.992 -11.774 6.727) 16.271 1.453 ( -16.506 -8.112 8.484) 20.254 1.877 ( 8.541 1.111 3.972) 9.485 2.079 ( 7.218 4.328 -1.671) 8.580 2.386 ( -0.978 1.584 -0.191) 1.871 2.716 ( -0.188 -2.179 -1.487) 2.645 3.001 ( -0.741 1.517 1.188) 2.064 3.617 ( 7.996 -8.635 7.674) 14.049 4.426 ( -10.085 9.119 -2.337) 13.796 5.096 ( 0.932 1.248 -10.699) 10.812 5.257 ( 8.010 2.317 -4.131) 9.306 6.158 ( 3.883 -2.579 -7.151) 8.536 6.290 ( 2.600 -3.024 -6.564) 7.680 6.365 ( 8.966 -1.866 2.599) 9.520 6.843 ( -3.372 0.147 8.144) 8.816 7.166 ( -2.299 -1.037 -2.545) 3.583 7.197 ( -14.044 0.285 2.162) 14.212 7.547 ( -9.227 -6.414 -1.801) 11.381 8.058 ( -0.346 -1.064 3.611) 3.780 8.125 ( 2.353 4.488 1.665) 5.334 8.757 ( 13.739 -0.048 -7.413) 15.612 9.534 ( 3.666 -2.927 -5.439) 7.183 10.036 ( 6.557 0.111 2.016) 6.861 10.193 ( -2.979 -2.888 3.219) 5.252 10.726 ( -7.136 -2.961 -15.669) 17.470 11.652 ( -12.558 10.437 6.913) 17.732 12.144 ( 3.927 6.912 2.864) 8.450 16.382 ( -0.523 5.479 1.335) 5.663 16.526 ( -3.601 2.469 0.390) 4.384 17.082 ( 2.951 0.681 5.520) 6.296 17.305 ( -2.267 2.481 -2.306) 4.076 17.450 ( 2.200 -4.304 5.587) 7.388 17.594 ( -1.549 -5.540 -1.857) 6.045 17.708 ( -0.655 -8.278 -8.000) 11.531 18.499 ( -2.474 13.519 -3.165) 14.103 ======================= Grid point 234 (113/250) ======================= q-point: (-0.22 -0.22 0.18) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -14.112 0.000 11.481) 18.192 0.694 ( -13.282 0.000 9.690) 16.442 1.264 ( -23.186 0.000 7.494) 24.367 1.861 ( 8.245 -0.000 2.036) 8.493 2.228 ( 7.909 -0.000 -3.705) 8.734 2.409 ( 0.269 -0.000 -0.761) 0.807 2.684 ( 0.226 -0.000 1.248) 1.268 2.987 ( 0.536 -0.000 3.030) 3.077 3.466 ( 7.592 -0.000 7.444) 10.633 4.585 ( -8.191 0.000 -5.415) 9.819 5.073 ( 9.557 -0.000 6.361) 11.481 5.360 ( -5.525 0.000 -19.128) 19.909 6.089 ( 5.282 -0.000 -7.498) 9.172 6.240 ( 5.179 -0.000 -10.817) 11.993 6.346 ( 11.678 -0.000 3.160) 12.098 6.826 ( -4.635 0.000 8.502) 9.684 7.155 ( -3.406 0.000 -1.474) 3.711 7.289 ( -9.364 0.000 3.921) 10.151 7.342 ( -17.142 0.000 -2.192) 17.281 8.038 ( -0.897 0.000 3.853) 3.956 8.253 ( 4.716 -0.000 3.715) 6.004 8.693 ( 16.214 -0.000 -7.382) 17.816 9.449 ( 0.639 -0.000 -4.243) 4.291 10.085 ( 3.277 -0.000 3.021) 4.457 10.105 ( -3.747 0.000 6.658) 7.640 10.694 ( -8.917 0.000 -16.784) 19.005 11.809 ( -7.869 0.000 7.057) 10.570 12.335 ( 4.273 -0.000 -10.067) 10.936 16.552 ( -0.888 0.000 4.918) 4.998 16.574 ( -2.568 0.000 -0.548) 2.626 17.116 ( 4.895 -0.000 6.199) 7.899 17.206 ( -3.568 0.000 -5.499) 6.555 17.371 ( 1.430 -0.000 3.235) 3.537 17.510 ( -8.740 0.000 -8.290) 12.046 17.587 ( 2.931 -0.000 0.732) 3.021 18.846 ( 6.955 -0.000 -8.170) 10.730 ======================= Grid point 235 (114/250) ======================= q-point: (-0.11 -0.22 0.18) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -10.575 0.900 13.172) 16.916 0.738 ( -6.626 -7.738 14.820) 17.983 1.165 ( -18.413 -8.593 14.483) 24.953 1.956 ( 6.280 -1.294 1.606) 6.610 2.237 ( 7.082 5.433 -4.001) 9.782 2.405 ( 0.678 0.674 -1.178) 1.517 2.693 ( 0.709 -0.395 -0.363) 0.889 3.014 ( 0.379 -0.329 2.294) 2.348 3.610 ( 6.199 -4.558 7.082) 10.458 4.445 ( -7.033 4.678 -3.430) 9.116 5.104 ( 0.558 4.401 -10.765) 11.643 5.288 ( 3.368 -3.360 -6.918) 8.396 6.136 ( 7.387 -1.595 -6.174) 9.759 6.279 ( 7.430 -0.777 -7.110) 10.313 6.471 ( 9.832 0.550 3.679) 10.512 6.829 ( -5.689 -1.550 10.594) 12.124 7.063 ( -12.637 2.237 -2.038) 12.994 7.138 ( -6.981 0.411 1.264) 7.107 7.332 ( -6.090 -6.880 3.124) 9.705 8.043 ( -2.002 -0.859 2.318) 3.181 8.253 ( 2.261 5.337 2.861) 6.464 8.848 ( 13.881 -1.520 -8.512) 16.354 9.483 ( 4.482 -4.853 -6.580) 9.324 10.086 ( -0.996 0.369 3.325) 3.490 10.138 ( -1.363 -1.915 2.006) 3.090 10.540 ( -6.276 -1.230 -15.964) 17.198 11.696 ( -10.837 5.878 5.107) 13.344 12.279 ( 0.287 4.504 -1.372) 4.717 16.443 ( -5.849 5.268 -5.313) 9.497 16.539 ( -2.459 1.037 3.540) 4.433 17.195 ( 6.311 3.197 7.550) 10.347 17.233 ( -1.403 -6.229 -4.401) 7.755 17.389 ( -6.316 -0.643 -3.806) 7.402 17.467 ( 2.403 -4.494 4.904) 7.072 17.643 ( 3.889 -2.785 -0.448) 4.804 18.730 ( 1.148 14.360 -4.082) 14.973 ======================= Grid point 244 (115/250) ======================= q-point: (-0.11 -0.11 0.18) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -5.383 0.000 16.789) 17.631 0.697 ( -4.745 0.000 18.773) 19.364 0.996 ( -10.316 0.000 24.103) 26.218 1.998 ( 3.607 -0.000 0.510) 3.643 2.338 ( 6.381 -0.000 -5.962) 8.732 2.403 ( -0.220 0.000 -2.447) 2.457 2.707 ( 2.026 -0.000 0.872) 2.205 3.028 ( 0.711 -0.000 3.115) 3.195 3.648 ( 2.946 -0.000 6.418) 7.062 4.413 ( -3.749 0.000 -3.513) 5.137 5.148 ( -4.153 0.000 -4.968) 6.476 5.176 ( 4.967 -0.000 -18.661) 19.310 6.198 ( 9.508 -0.000 -2.588) 9.854 6.347 ( 11.608 -0.000 -6.043) 13.087 6.600 ( 9.213 -0.000 4.264) 10.152 6.775 ( -11.288 0.000 13.836) 17.856 6.987 ( -8.026 0.000 -2.304) 8.350 7.011 ( -9.352 0.000 -2.280) 9.625 7.302 ( 3.140 -0.000 10.861) 11.306 8.012 ( -3.701 0.000 1.285) 3.918 8.323 ( -2.374 0.000 0.591) 2.446 8.927 ( 11.551 -0.000 -8.695) 14.458 9.433 ( 3.548 -0.000 -5.390) 6.453 10.068 ( -5.762 0.000 6.123) 8.408 10.106 ( -2.095 0.000 -3.379) 3.976 10.455 ( 3.933 -0.000 -8.944) 9.770 11.665 ( -10.050 0.000 3.183) 10.542 12.282 ( -3.559 0.000 -4.362) 5.630 16.404 ( -4.541 0.000 -6.197) 7.682 16.509 ( -5.017 0.000 -0.003) 5.017 17.124 ( -0.950 0.000 -2.991) 3.139 17.309 ( -5.809 0.000 -3.243) 6.653 17.396 ( 10.595 -0.000 9.605) 14.300 17.471 ( 3.616 -0.000 7.493) 8.320 17.652 ( 2.760 -0.000 -0.146) 2.763 18.881 ( 3.076 -0.000 -7.226) 7.854 ======================= Grid point 245 (116/250) ======================= q-point: ( 0.00 0.00 0.27) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.804 0.000 13.177) 13.201 1.127 ( 1.149 -0.000 15.497) 15.539 1.753 ( 4.195 -0.000 18.746) 19.209 2.040 ( -1.590 0.000 0.890) 1.822 2.207 ( 3.668 -0.000 -7.194) 8.075 2.271 ( 1.168 -0.000 -4.861) 5.000 2.822 ( 5.466 -0.000 0.433) 5.483 3.126 ( 1.606 -0.000 1.231) 2.024 3.793 ( -8.216 0.000 7.800) 11.329 4.163 ( -6.903 0.000 -9.780) 11.971 4.754 ( -9.985 0.000 -3.643) 10.629 4.867 ( 15.804 -0.000 -17.444) 23.538 6.264 ( -1.347 0.000 0.186) 1.360 6.471 ( 6.487 -0.000 -0.286) 6.494 6.737 ( -2.653 0.000 0.468) 2.694 6.827 ( -3.090 0.000 3.670) 4.798 7.098 ( 11.443 -0.000 5.555) 12.720 7.176 ( 7.277 -0.000 10.425) 12.714 7.752 ( 8.169 -0.000 7.900) 11.364 7.880 ( -6.346 0.000 -2.126) 6.693 8.283 ( -7.529 0.000 6.763) 10.120 8.732 ( -0.628 0.000 -9.845) 9.865 9.502 ( 11.476 -0.000 -1.817) 11.619 9.895 ( -3.593 0.000 -7.878) 8.659 10.063 ( -8.873 0.000 4.342) 9.878 10.642 ( 19.526 -0.000 -1.955) 19.623 11.461 ( -8.643 0.000 -1.889) 8.847 11.843 ( -8.650 0.000 -15.928) 18.126 16.321 ( -5.885 0.000 -2.717) 6.482 16.361 ( 7.178 -0.000 -2.329) 7.546 17.070 ( -0.412 0.000 -0.133) 0.433 17.182 ( -2.918 0.000 -0.932) 3.064 17.615 ( 0.965 -0.000 0.345) 1.025 17.646 ( 0.846 -0.000 -1.019) 1.325 17.914 ( 4.595 -0.000 12.736) 13.539 18.842 ( 5.111 -0.000 -3.050) 5.952 ======================= Grid point 246 (117/250) ======================= q-point: ( 0.11 0.00 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.638 -0.591 11.368) 11.402 1.251 ( 6.807 -1.949 13.849) 15.554 1.837 ( 3.310 3.121 11.807) 12.653 1.991 ( -4.069 2.931 -2.450) 5.581 2.221 ( 3.423 -0.385 -1.868) 3.919 2.294 ( 3.095 -1.911 -2.378) 4.346 2.862 ( 4.449 1.383 0.186) 4.663 3.135 ( 1.066 1.137 0.306) 1.588 3.758 ( -13.091 -4.599 8.648) 16.350 4.052 ( -9.719 -3.093 -11.134) 15.099 4.597 ( -2.126 5.962 -3.326) 7.151 5.019 ( 14.878 -4.217 -15.348) 21.788 6.218 ( -4.820 1.337 0.871) 5.077 6.514 ( 3.745 0.868 1.315) 4.063 6.714 ( -0.959 0.265 0.159) 1.007 6.847 ( 0.776 -0.612 3.702) 3.831 7.170 ( 11.534 5.143 7.341) 14.607 7.376 ( 6.723 -5.320 5.413) 10.139 7.796 ( -1.565 1.778 0.335) 2.392 7.878 ( 6.391 -1.024 2.740) 7.028 8.243 ( -8.255 -0.723 8.673) 11.995 8.644 ( -4.004 2.255 -9.299) 10.372 9.586 ( 7.454 1.525 -2.049) 7.879 9.845 ( -0.709 -1.592 -8.437) 8.615 10.003 ( -6.804 -1.033 3.700) 7.814 10.800 ( 11.405 0.314 1.692) 11.534 11.343 ( -3.478 3.299 -2.373) 5.349 11.775 ( -3.645 -6.302 -16.654) 18.176 16.264 ( -4.537 -0.895 -2.586) 5.298 16.414 ( 4.729 0.354 -2.269) 5.257 17.074 ( -0.872 -0.722 0.089) 1.136 17.165 ( -0.906 -1.263 -1.782) 2.364 17.602 ( 2.856 1.641 0.580) 3.344 17.672 ( -1.958 -1.945 -1.510) 3.146 17.972 ( 4.177 4.252 12.354) 13.717 18.831 ( 3.789 4.796 -2.487) 6.599 ======================= Grid point 247 (118/250) ======================= q-point: ( 0.22 0.00 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.349 -2.503 8.879) 9.324 1.448 ( 10.916 -3.109 12.133) 16.615 1.811 ( -0.746 7.320 0.222) 7.361 1.862 ( -1.727 4.923 4.200) 6.697 2.244 ( 1.295 0.040 -1.225) 1.783 2.368 ( 3.420 -2.332 -0.079) 4.140 2.863 ( 0.997 2.095 0.290) 2.338 3.105 ( -0.076 2.792 -1.208) 3.043 3.770 ( -14.179 -8.605 8.460) 18.619 3.990 ( -9.167 -6.964 -10.648) 15.682 4.485 ( 0.686 4.938 -1.225) 5.133 5.157 ( 15.859 -0.992 -14.173) 21.293 6.149 ( -4.119 1.448 1.708) 4.688 6.538 ( 3.234 1.517 2.179) 4.184 6.708 ( -1.091 -0.582 0.816) 1.482 6.875 ( 2.086 1.308 3.276) 4.098 7.236 ( 11.150 4.942 6.631) 13.882 7.454 ( -2.864 -1.452 -4.510) 5.537 7.823 ( 6.011 -0.878 5.365) 8.104 7.938 ( 0.457 0.496 -0.214) 0.707 8.224 ( -3.376 -0.964 7.428) 8.216 8.506 ( -6.594 2.577 -7.325) 10.187 9.577 ( -1.420 1.542 -1.716) 2.709 9.856 ( 4.322 -1.327 -8.405) 9.543 10.012 ( -0.900 -3.145 1.551) 3.620 10.898 ( 3.710 -1.516 6.515) 7.650 11.289 ( 5.086 2.957 -2.793) 6.513 11.790 ( -3.624 -6.630 -12.391) 14.513 16.230 ( -3.486 -1.207 -2.500) 4.456 16.426 ( 1.008 0.338 -1.648) 1.961 17.072 ( -2.249 -0.991 0.643) 2.541 17.185 ( 0.804 -1.665 -2.359) 2.998 17.610 ( 1.504 2.444 1.142) 3.088 17.669 ( 0.423 -1.422 -1.103) 1.848 17.995 ( 4.754 3.980 10.858) 12.504 18.734 ( 1.168 7.764 -3.854) 8.747 ======================= Grid point 248 (119/250) ======================= q-point: ( 0.33 0.00 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.669 -4.016 5.715) 7.017 1.581 ( -5.492 7.963 1.303) 9.760 1.701 ( 13.313 -0.949 5.855) 14.575 1.812 ( 1.468 5.755 8.489) 10.360 2.233 ( -0.802 1.551 0.952) 1.989 2.422 ( 2.231 -1.058 -2.690) 3.651 2.807 ( -5.286 1.830 -0.199) 5.598 3.035 ( -0.488 3.566 -1.777) 4.014 3.832 ( -11.690 -10.010 5.078) 16.206 4.009 ( -5.763 -8.096 -7.631) 12.529 4.434 ( 0.677 1.398 1.109) 1.908 5.252 ( 16.674 2.406 -12.029) 20.700 6.108 ( -1.904 0.655 2.033) 2.862 6.537 ( 2.449 3.034 1.717) 4.260 6.712 ( -0.160 0.647 0.787) 1.031 6.864 ( 0.700 2.846 1.707) 3.392 7.249 ( 3.850 4.787 1.074) 6.236 7.440 ( 1.536 -1.772 -2.774) 3.632 7.798 ( -7.944 4.074 -3.658) 9.648 7.981 ( 2.920 -2.256 9.384) 10.083 8.297 ( 6.932 -2.325 0.091) 7.312 8.361 ( -8.413 2.415 -2.833) 9.200 9.522 ( -5.300 -0.476 -0.406) 5.337 9.886 ( 7.333 0.412 -9.439) 11.960 10.084 ( 1.250 -4.070 -1.389) 4.479 11.004 ( 3.874 -1.919 6.633) 7.918 11.289 ( 5.746 3.045 -0.860) 6.560 11.825 ( -4.872 -7.485 -3.790) 9.702 16.211 ( -2.306 -1.265 -2.138) 3.390 16.420 ( -1.263 -0.723 -0.631) 1.586 17.076 ( -2.597 -1.949 1.148) 3.444 17.203 ( 0.207 -0.466 -1.130) 1.239 17.566 ( -0.607 2.420 1.475) 2.898 17.727 ( 5.053 -1.413 -1.055) 5.351 18.027 ( 3.441 2.534 8.475) 9.492 18.550 ( -1.318 10.337 -6.970) 12.537 ======================= Grid point 249 (120/250) ======================= q-point: (-0.56 0.00 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -4.031 8.231 2.409) 9.476 1.376 ( -5.715 -0.902 -0.031) 5.786 1.773 ( 3.186 5.437 10.179) 11.972 1.903 ( 12.715 -0.623 6.401) 14.249 2.184 ( -2.547 2.680 3.399) 5.022 2.419 ( -0.081 1.664 -2.848) 3.300 2.704 ( -8.492 -0.131 -3.490) 9.182 2.975 ( 0.099 2.217 -0.550) 2.287 3.913 ( -6.130 -8.258 -0.502) 10.297 4.049 ( -4.195 -4.336 -2.076) 6.380 4.474 ( -0.418 -5.078 1.590) 5.337 5.314 ( 16.068 4.239 -8.348) 18.597 6.105 ( 0.323 -0.205 1.755) 1.796 6.497 ( 2.364 4.888 -1.378) 5.602 6.637 ( 0.345 7.673 -2.103) 7.964 6.843 ( -2.405 -1.467 0.646) 2.890 7.213 ( 1.674 1.987 0.304) 2.617 7.464 ( -1.620 2.157 0.963) 2.864 7.656 ( -3.945 0.182 -1.929) 4.395 8.031 ( -5.683 -0.440 0.570) 5.728 8.255 ( -1.066 2.446 5.038) 5.701 8.419 ( 7.343 -3.203 -3.083) 8.584 9.492 ( -3.163 -1.392 -0.579) 3.504 9.907 ( 6.630 0.308 -9.966) 11.974 10.148 ( 0.563 -3.070 -2.666) 4.104 11.009 ( 7.775 10.196 -6.538) 14.392 11.331 ( -6.655 -7.206 8.555) 13.015 11.940 ( 0.183 -7.991 6.494) 10.299 16.208 ( -1.382 -1.587 -2.002) 2.904 16.431 ( -1.406 -2.283 1.542) 3.093 17.096 ( -2.647 -2.591 1.639) 4.050 17.199 ( -0.524 0.201 0.655) 0.862 17.544 ( 0.441 0.659 1.026) 1.297 17.790 ( 5.047 -0.039 -1.550) 5.280 18.026 ( -2.098 2.964 2.125) 4.207 18.321 ( 0.919 10.149 -5.425) 11.544 ======================= Grid point 250 (121/250) ======================= q-point: (-0.44 0.00 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -6.338 9.697 5.382) 12.774 1.322 ( -7.337 2.404 0.061) 7.721 1.811 ( 5.271 0.556 9.472) 10.854 1.970 ( -0.283 3.979 4.127) 5.740 2.168 ( 5.128 2.927 6.232) 8.585 2.342 ( -4.819 1.482 -0.845) 5.112 2.640 ( -2.070 -1.337 -6.988) 7.410 2.960 ( -0.304 -0.565 0.629) 0.898 3.963 ( 3.988 0.802 -4.094) 5.772 4.074 ( -9.120 -7.550 2.558) 12.113 4.581 ( -1.022 -6.736 -1.552) 6.988 5.367 ( 12.226 3.433 -3.335) 13.130 6.130 ( 2.738 0.159 0.555) 2.799 6.359 ( 0.786 9.115 -10.493) 13.921 6.542 ( 3.662 4.226 2.404) 6.087 6.848 ( -4.723 -2.713 -0.656) 5.486 7.217 ( 2.132 1.066 2.989) 3.823 7.351 ( -6.558 4.435 4.140) 8.933 7.655 ( -1.548 0.570 -0.618) 1.762 7.942 ( -6.330 -1.639 -4.751) 8.083 8.276 ( 2.332 1.751 9.925) 10.344 8.527 ( 6.334 -3.484 -5.892) 9.326 9.493 ( 2.404 0.277 -3.148) 3.971 9.925 ( 2.256 -1.884 -8.763) 9.242 10.180 ( 0.641 -1.484 -2.644) 3.099 10.799 ( 2.297 14.005 -8.732) 16.663 11.427 ( -11.787 -9.809 6.751) 16.755 12.137 ( 4.307 -6.011 11.166) 13.393 16.214 ( -1.360 -1.860 -2.767) 3.601 16.491 ( -0.106 -3.711 5.140) 6.340 17.120 ( -2.208 -2.173 2.151) 3.772 17.205 ( -0.337 -1.101 1.001) 1.526 17.553 ( 0.131 -0.602 0.574) 0.842 17.759 ( -4.462 7.048 -6.684) 10.689 17.882 ( 0.950 4.843 -5.343) 7.273 18.264 ( 5.336 1.170 4.981) 7.392 ======================= Grid point 251 (122/250) ======================= q-point: (-0.33 0.00 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -5.046 5.851 10.805) 13.283 1.184 ( -7.588 4.322 4.748) 9.940 1.819 ( -4.681 7.814 10.531) 13.924 1.957 ( 2.589 -4.212 2.274) 5.442 2.147 ( 1.390 5.472 3.379) 6.580 2.337 ( 0.725 -2.100 0.099) 2.223 2.629 ( 2.792 -0.395 -6.343) 6.942 2.991 ( 0.323 -2.424 0.875) 2.597 3.941 ( 5.663 5.675 0.090) 8.018 4.148 ( -6.832 -9.263 -0.126) 11.511 4.640 ( -1.157 -3.480 -7.256) 8.130 5.392 ( 2.375 2.855 -0.733) 3.786 6.123 ( 8.550 5.840 -7.770) 12.945 6.232 ( 2.508 1.212 -2.832) 3.973 6.562 ( 6.239 1.241 3.610) 7.315 6.831 ( -6.789 -3.128 -2.016) 7.742 7.219 ( -4.295 1.035 4.419) 6.249 7.246 ( -1.839 5.431 7.943) 9.796 7.569 ( -2.558 3.894 0.436) 4.679 7.955 ( -1.323 -4.639 -4.234) 6.418 8.304 ( 0.275 1.427 9.159) 9.274 8.619 ( 6.029 -3.395 -7.495) 10.201 9.487 ( 6.519 3.471 -7.338) 10.411 9.940 ( -2.127 -3.845 -6.138) 7.548 10.194 ( 1.152 -0.317 -1.913) 2.255 10.547 ( -0.377 11.169 -5.554) 12.480 11.484 ( -12.171 -8.547 3.123) 15.197 12.286 ( 1.530 -1.736 7.391) 7.745 16.221 ( -0.877 -1.917 -3.223) 3.851 16.574 ( -1.740 -2.495 5.647) 6.414 17.172 ( 1.450 -3.893 3.750) 5.596 17.229 ( -0.396 -1.301 0.038) 1.360 17.461 ( -7.275 8.700 -10.795) 15.657 17.590 ( -0.151 -0.445 3.133) 3.168 17.838 ( 3.929 4.184 -2.104) 6.113 18.376 ( 5.131 -4.407 5.836) 8.933 ======================= Grid point 252 (123/250) ======================= q-point: (-0.22 0.00 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -2.514 0.313 15.485) 15.691 1.095 ( -5.369 2.322 11.515) 12.916 1.679 ( -5.070 7.283 14.855) 17.304 2.075 ( 5.017 -3.028 -0.691) 5.901 2.088 ( -1.032 1.517 0.037) 1.835 2.355 ( 0.301 0.536 -2.656) 2.726 2.666 ( 5.408 -1.424 -2.602) 6.168 3.046 ( 1.518 -2.086 0.883) 2.727 3.896 ( 2.938 5.468 3.726) 7.240 4.237 ( -2.512 -6.217 -1.916) 6.974 4.633 ( -0.545 -3.167 -12.759) 13.157 5.269 ( -6.522 6.816 -5.331) 10.835 6.143 ( 12.233 0.920 -4.173) 12.958 6.276 ( 6.264 -0.572 0.011) 6.290 6.650 ( 6.244 -1.373 4.613) 7.884 6.814 ( -5.122 -3.606 -1.531) 6.449 7.102 ( -13.934 2.677 5.593) 15.251 7.191 ( 3.818 6.874 7.016) 10.538 7.548 ( 5.325 1.795 5.466) 7.839 7.982 ( -3.899 -2.956 -3.470) 5.999 8.323 ( -2.185 -0.302 7.616) 7.929 8.698 ( 5.596 -2.851 -8.670) 10.706 9.437 ( 6.740 5.103 -8.939) 12.303 9.963 ( -2.060 -3.625 -4.025) 5.795 10.187 ( -2.995 0.542 1.721) 3.496 10.401 ( 6.696 5.665 -4.432) 9.827 11.509 ( -10.995 -7.303 0.089) 13.200 12.269 ( -5.020 3.458 -1.156) 6.204 16.240 ( 1.338 -1.811 -2.832) 3.618 16.550 ( -6.245 1.798 0.056) 6.500 17.201 ( -1.192 4.965 -4.521) 6.820 17.257 ( -4.408 0.309 -1.090) 4.552 17.341 ( 6.714 -6.129 6.265) 11.040 17.642 ( 0.945 -2.806 5.332) 6.099 17.781 ( 2.006 4.864 -1.408) 5.447 18.558 ( 5.395 -7.394 3.344) 9.745 ======================= Grid point 253 (124/250) ======================= q-point: (-0.11 0.00 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -1.284 -1.390 15.292) 15.409 1.084 ( -3.245 1.250 15.362) 15.751 1.644 ( 0.856 2.466 19.389) 19.564 2.054 ( -0.253 1.495 1.512) 2.141 2.168 ( 3.844 -3.383 -6.293) 8.113 2.312 ( -0.196 1.726 -5.448) 5.718 2.748 ( 5.768 -1.477 0.101) 5.955 3.095 ( 1.925 -0.881 1.140) 2.405 3.846 ( -2.017 3.452 6.282) 7.447 4.254 ( -3.133 -0.502 -5.660) 6.489 4.677 ( 2.219 -8.344 -13.511) 16.035 5.027 ( -4.957 9.153 -8.920) 13.708 6.236 ( 5.050 -1.026 -0.325) 5.164 6.375 ( 10.053 -0.927 -0.786) 10.126 6.732 ( -1.594 -2.389 2.623) 3.889 6.873 ( 2.686 -2.070 0.754) 3.474 6.950 ( -7.085 0.612 6.676) 9.754 7.154 ( 5.444 6.718 8.672) 12.246 7.634 ( 7.702 0.314 8.301) 11.328 7.948 ( -6.215 -1.014 -2.335) 6.716 8.323 ( -5.655 -0.481 5.981) 8.246 8.746 ( 3.089 -1.893 -9.650) 10.308 9.417 ( 9.375 2.185 -4.744) 10.732 9.959 ( -2.978 -0.870 -5.678) 6.470 10.133 ( -7.858 0.369 4.652) 9.139 10.458 ( 17.897 1.087 -3.950) 18.360 11.511 ( -9.692 -5.498 -2.104) 11.340 12.072 ( -10.296 5.954 -9.653) 15.317 16.289 ( 4.534 -1.554 -2.328) 5.328 16.428 ( -6.372 2.770 -2.778) 7.483 17.100 ( -1.174 2.597 -1.232) 3.105 17.221 ( -3.359 0.051 -0.601) 3.413 17.528 ( 4.467 -4.729 2.794) 7.080 17.701 ( 1.568 4.698 -1.599) 5.204 17.770 ( 3.503 -4.020 11.364) 12.553 18.744 ( 5.591 -5.896 -1.006) 8.187 ======================= Grid point 255 (125/250) ======================= q-point: ( 0.11 0.11 0.27) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.347 -0.000 10.020) 10.026 1.381 ( 10.409 -0.000 12.252) 16.076 1.950 ( 3.541 -0.000 6.645) 7.529 1.971 ( -3.618 0.000 -1.863) 4.069 2.242 ( 2.988 -0.000 -1.200) 3.220 2.314 ( 4.825 -0.000 0.034) 4.825 2.916 ( 3.339 -0.000 -0.645) 3.401 3.152 ( 0.302 -0.000 -0.555) 0.631 3.591 ( -18.639 0.000 10.906) 21.595 3.853 ( -12.103 0.000 -11.404) 16.629 4.608 ( -2.595 0.000 -1.362) 2.931 5.110 ( 22.131 -0.000 -17.606) 28.280 6.178 ( -5.681 0.000 1.861) 5.978 6.564 ( 3.442 -0.000 2.240) 4.107 6.690 ( -2.771 0.000 -1.151) 3.000 6.901 ( 5.197 -0.000 4.710) 7.014 7.372 ( 9.518 -0.000 5.686) 11.088 7.390 ( 3.186 -0.000 0.727) 3.268 7.815 ( 3.496 -0.000 3.042) 4.634 7.944 ( 3.843 -0.000 0.739) 3.913 8.193 ( -7.834 0.000 11.528) 13.938 8.570 ( -6.738 0.000 -8.570) 10.902 9.657 ( 1.235 -0.000 -0.849) 1.498 9.778 ( 1.033 -0.000 -10.029) 10.082 9.966 ( -0.762 0.000 3.454) 3.537 10.860 ( -2.756 0.000 6.416) 6.983 11.322 ( -3.966 0.000 1.236) 4.154 11.687 ( 13.989 -0.000 -25.640) 29.208 16.204 ( -3.311 0.000 -2.011) 3.874 16.439 ( 0.943 -0.000 -2.376) 2.556 17.076 ( 0.816 -0.000 0.635) 1.034 17.131 ( -0.492 0.000 -2.959) 3.000 17.630 ( -1.533 0.000 -0.789) 1.724 17.656 ( 3.951 -0.000 0.736) 4.019 18.088 ( 1.441 -0.000 10.976) 11.070 18.892 ( 2.731 -0.000 -4.789) 5.513 ======================= Grid point 256 (126/250) ======================= q-point: ( 0.22 0.11 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.360 -0.974 8.583) 8.646 1.569 ( 11.842 -2.164 10.844) 16.202 1.884 ( -3.095 4.849 -2.687) 6.349 1.979 ( 3.559 2.844 3.754) 5.904 2.259 ( 1.874 0.573 -0.774) 2.108 2.379 ( 3.835 -1.083 0.994) 4.107 2.909 ( -0.557 2.817 -0.232) 2.881 3.128 ( -1.440 1.486 -2.548) 3.282 3.508 ( -18.378 -6.844 12.635) 23.329 3.731 ( -9.345 -5.002 -10.444) 14.880 4.561 ( 0.592 3.056 -1.345) 3.391 5.271 ( 21.854 -0.563 -16.607) 27.454 6.132 ( -4.104 0.501 2.929) 5.066 6.604 ( 3.223 0.903 2.175) 3.992 6.658 ( -3.759 -1.355 -1.286) 4.197 6.970 ( 5.724 1.704 5.003) 7.791 7.382 ( -2.835 -0.441 -6.578) 7.176 7.448 ( 8.517 3.892 5.348) 10.783 7.903 ( 0.132 1.253 -0.253) 1.285 7.923 ( 0.380 -0.543 5.134) 5.177 8.216 ( -0.207 -1.892 9.789) 9.972 8.438 ( -8.227 1.719 -6.409) 10.570 9.583 ( -5.112 3.476 -1.299) 6.317 9.804 ( 3.943 -3.893 -10.228) 11.632 10.013 ( 4.776 -0.646 2.461) 5.411 10.859 ( -7.654 -3.302 10.145) 13.130 11.334 ( 1.201 -2.367 3.462) 4.363 11.730 ( 16.054 1.749 -24.854) 29.640 16.175 ( -1.859 -0.638 -1.673) 2.581 16.416 ( -2.695 0.162 -1.741) 3.212 17.066 ( -0.106 1.350 0.180) 1.366 17.149 ( 1.095 -2.373 -2.494) 3.613 17.611 ( -3.000 -0.385 -0.764) 3.120 17.705 ( 6.723 0.880 1.122) 6.873 18.121 ( 0.253 1.799 9.438) 9.612 18.841 ( 0.967 5.162 -6.405) 8.283 ======================= Grid point 257 (127/250) ======================= q-point: ( 0.33 0.11 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.486 -1.998 6.394) 6.716 1.696 ( -1.750 8.018 2.188) 8.493 1.804 ( 8.639 -1.937 5.507) 10.427 1.977 ( 5.265 3.911 4.173) 7.774 2.250 ( -0.539 1.186 -0.727) 1.492 2.420 ( 2.257 -0.603 -1.872) 2.994 2.796 ( -8.338 4.754 1.147) 9.666 3.063 ( -1.907 2.041 -2.798) 3.954 3.549 ( -14.069 -10.158 10.601) 20.334 3.756 ( -2.594 -9.749 -9.102) 13.588 4.514 ( 2.510 3.710 0.513) 4.509 5.413 ( 20.013 1.208 -14.662) 24.839 6.108 ( -1.907 0.352 3.524) 4.022 6.597 ( -1.740 0.756 0.140) 1.902 6.671 ( 0.273 -1.821 -0.477) 1.902 6.973 ( 1.643 4.978 1.432) 5.435 7.305 ( -1.071 2.322 -4.410) 5.097 7.503 ( 8.011 1.931 3.006) 8.772 7.740 ( -13.065 3.259 -1.976) 13.610 8.012 ( 0.744 -0.423 2.653) 2.787 8.310 ( 3.034 -2.865 3.701) 5.578 8.324 ( -3.571 1.397 0.786) 3.914 9.477 ( -4.891 1.472 -0.078) 5.108 9.865 ( 4.609 -3.240 -12.711) 13.903 10.084 ( 5.132 -0.483 1.106) 5.272 10.930 ( -6.471 -6.978 13.187) 16.262 11.436 ( 8.757 0.127 0.805) 8.794 11.722 ( 7.809 1.087 -14.764) 16.737 16.169 ( -0.527 -0.773 -1.437) 1.714 16.379 ( -3.728 -0.792 -0.482) 3.841 17.047 ( -0.643 0.275 0.282) 0.754 17.186 ( 0.731 -1.388 -0.963) 1.840 17.574 ( -3.086 0.384 -0.379) 3.133 17.771 ( 7.218 0.488 0.610) 7.261 18.122 ( -1.008 2.065 6.644) 7.030 18.686 ( -0.103 8.975 -7.886) 11.947 ======================= Grid point 258 (128/250) ======================= q-point: ( 0.44 0.11 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -2.886 -2.054 3.141) 4.734 1.491 ( -2.173 11.814 1.723) 12.135 1.896 ( 0.852 2.303 6.688) 7.124 2.047 ( 9.606 0.191 4.321) 10.535 2.197 ( -3.452 1.117 -0.515) 3.665 2.445 ( 3.329 0.365 -2.345) 4.088 2.616 ( -11.273 3.248 0.988) 11.773 3.000 ( -1.441 1.964 -1.763) 3.007 3.649 ( -10.110 -10.994 6.857) 16.434 3.899 ( 3.153 -9.495 -8.251) 12.968 4.497 ( 2.958 2.394 4.111) 5.601 5.501 ( 16.076 3.370 -11.633) 20.127 6.113 ( -0.082 -0.322 3.491) 3.507 6.560 ( -1.628 1.163 -2.665) 3.332 6.682 ( -0.546 0.680 -2.770) 2.903 6.850 ( -3.352 5.571 -3.500) 7.384 7.268 ( 1.695 2.376 2.073) 3.580 7.516 ( -3.992 4.364 3.164) 6.708 7.612 ( 0.911 -1.455 -1.530) 2.300 7.948 ( -8.826 0.929 -4.613) 10.002 8.334 ( 2.743 1.364 9.311) 9.802 8.397 ( 2.285 -3.553 -1.670) 4.542 9.450 ( -0.643 -1.392 1.103) 1.888 9.883 ( 2.811 -1.530 -14.447) 14.798 10.142 ( 4.131 -0.390 -0.213) 4.155 11.059 ( -5.880 -7.487 12.998) 16.111 11.373 ( 8.154 13.164 -15.695) 22.048 11.848 ( 4.034 -9.227 9.840) 14.080 16.175 ( 0.262 -0.648 -1.558) 1.707 16.378 ( -2.200 -2.589 2.143) 4.017 17.047 ( -1.183 -1.035 0.729) 1.733 17.200 ( -0.271 -0.095 0.921) 0.965 17.542 ( -2.254 -0.148 -0.391) 2.293 17.833 ( 6.116 0.561 -0.623) 6.173 18.062 ( -5.121 4.085 -0.087) 6.552 18.496 ( 2.363 9.213 -5.089) 10.787 ======================= Grid point 259 (129/250) ======================= q-point: (-0.44 0.11 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -4.296 6.490 3.005) 8.343 1.302 ( -2.473 6.379 2.035) 7.138 1.883 ( -1.451 0.885 6.002) 6.238 2.030 ( -4.124 4.228 0.428) 5.921 2.236 ( 1.590 -3.430 1.958) 4.258 2.377 ( -2.142 6.911 4.972) 8.779 2.571 ( 2.192 -3.157 -4.294) 5.763 2.956 ( -0.966 0.818 -0.522) 1.370 3.778 ( -7.004 -10.986 4.397) 13.751 4.032 ( 7.056 -3.320 -8.244) 11.348 4.533 ( 2.039 -0.694 5.820) 6.205 5.516 ( 8.300 4.464 -7.985) 12.352 6.149 ( 1.589 -1.281 3.215) 3.808 6.452 ( -1.047 6.447 -12.661) 14.246 6.630 ( 1.193 2.176 0.888) 2.636 6.752 ( -5.450 -0.383 -2.656) 6.075 7.249 ( -2.940 1.422 4.485) 5.548 7.429 ( -0.130 4.368 7.176) 8.402 7.665 ( 3.282 0.099 -2.042) 3.867 7.828 ( -6.035 -0.990 -5.865) 8.473 8.362 ( -0.681 1.233 7.293) 7.428 8.480 ( 3.069 -3.861 -1.963) 5.308 9.510 ( 4.815 -2.043 0.152) 5.233 9.853 ( -0.214 -1.027 -13.483) 13.524 10.181 ( 3.200 -0.239 -1.247) 3.443 11.062 ( 4.151 16.691 -10.208) 20.001 11.194 ( -9.497 -7.193 6.116) 13.391 12.111 ( 3.912 -8.193 13.793) 16.513 16.181 ( 0.659 -0.553 -1.897) 2.083 16.446 ( 0.134 -4.112 5.563) 6.919 17.064 ( -1.816 -2.177 1.380) 3.153 17.203 ( 0.014 -0.027 1.699) 1.700 17.524 ( -2.792 -0.763 -1.288) 3.168 17.811 ( -3.636 7.166 -5.955) 10.002 17.920 ( 0.879 2.211 -3.665) 4.370 18.407 ( 5.004 4.805 1.817) 7.172 ======================= Grid point 260 (130/250) ======================= q-point: (-0.33 0.11 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.475 9.924 8.267) 12.925 1.194 ( -4.916 2.959 2.722) 6.350 1.870 ( -8.577 0.789 3.815) 9.420 1.933 ( -1.429 0.415 1.637) 2.212 2.223 ( -4.719 2.254 3.896) 6.521 2.359 ( 5.010 1.193 3.346) 6.142 2.637 ( 6.204 -1.142 -5.002) 8.051 2.960 ( 0.314 -1.726 0.815) 1.934 3.923 ( -4.459 -10.456 3.337) 11.847 4.079 ( 8.359 3.184 -5.411) 10.454 4.586 ( 1.159 -0.921 0.215) 1.496 5.438 ( -2.707 4.382 -5.568) 7.585 6.213 ( 0.394 -2.336 2.731) 3.615 6.286 ( 6.239 6.180 -12.464) 15.247 6.651 ( 4.953 0.725 2.868) 5.769 6.703 ( -6.110 -2.415 -2.295) 6.960 7.179 ( -10.103 1.962 6.367) 12.102 7.414 ( 4.743 5.110 8.381) 10.902 7.640 ( 4.343 3.377 -1.971) 5.844 7.837 ( -1.049 -4.670 -5.136) 7.020 8.351 ( -3.632 0.565 5.688) 6.772 8.569 ( 3.254 -3.725 -3.264) 5.926 9.581 ( 8.176 1.643 -5.701) 10.102 9.818 ( -2.514 -3.384 -7.923) 8.975 10.203 ( 1.781 0.223 -1.163) 2.139 10.749 ( 1.395 14.756 -8.794) 17.234 11.260 ( -8.876 -6.686 6.727) 12.990 12.285 ( -0.884 -3.066 9.210) 9.747 16.197 ( 2.065 -0.753 -1.665) 2.757 16.537 ( -1.432 -2.589 5.443) 6.195 17.118 ( 0.205 -4.673 3.607) 5.906 17.222 ( 1.446 -0.655 1.216) 2.000 17.454 ( -6.272 3.502 -7.905) 10.681 17.610 ( -3.243 4.094 -0.147) 5.225 17.908 ( 3.566 2.405 -3.785) 5.730 18.432 ( 4.849 0.110 4.650) 6.719 ======================= Grid point 261 (131/250) ======================= q-point: (-0.22 0.11 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 1.165 4.946 12.522) 13.514 1.146 ( -0.672 2.243 9.205) 9.498 1.761 ( -6.532 3.158 6.933) 10.035 1.959 ( -4.228 -5.093 -2.832) 7.199 2.181 ( 1.072 2.538 4.964) 5.677 2.375 ( 1.269 1.765 -0.685) 2.279 2.700 ( 7.099 -0.749 -2.679) 7.624 3.020 ( 1.491 -3.057 1.041) 3.557 4.014 ( -1.827 1.917 3.137) 4.105 4.112 ( 4.892 -4.554 -1.295) 6.807 4.568 ( 0.318 1.345 -9.308) 9.410 5.270 ( -7.748 4.830 -6.351) 11.122 6.204 ( -0.296 -0.829 -3.697) 3.801 6.331 ( 9.921 -0.465 -0.572) 9.948 6.675 ( -1.184 -1.040 -0.269) 1.599 6.753 ( 5.571 -3.029 3.756) 7.370 7.044 ( -11.974 3.010 6.185) 13.809 7.404 ( 6.213 6.639 7.552) 11.820 7.663 ( 7.746 1.533 1.852) 8.110 7.869 ( -2.371 -3.308 -5.094) 6.520 8.327 ( -4.986 0.123 6.085) 7.868 8.638 ( 1.695 -3.539 -6.251) 7.381 9.552 ( 6.365 4.706 -9.738) 12.550 9.861 ( -0.150 -4.648 -3.698) 5.941 10.180 ( -3.511 2.059 1.494) 4.336 10.571 ( 8.733 6.754 -4.990) 12.115 11.301 ( -8.002 -5.568 3.400) 10.325 12.264 ( -7.314 3.256 0.856) 8.052 16.238 ( 4.031 -1.182 -1.318) 4.403 16.519 ( -5.428 1.618 0.008) 5.664 17.208 ( -1.505 -1.632 1.730) 2.814 17.253 ( -2.509 4.729 -6.470) 8.397 17.341 ( 6.589 -5.057 6.200) 10.365 17.595 ( -2.876 -3.153 4.748) 6.384 17.861 ( 2.166 4.225 -3.954) 6.179 18.537 ( 4.573 -4.091 4.266) 7.473 ======================= Grid point 262 (132/250) ======================= q-point: (-0.11 0.11 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.820 1.282 13.465) 13.648 1.176 ( 3.092 2.088 13.541) 14.045 1.731 ( -0.950 -0.335 10.659) 10.707 1.983 ( -4.982 -4.892 -3.973) 8.033 2.194 ( 3.687 1.184 2.454) 4.584 2.332 ( 0.906 2.665 -3.533) 4.517 2.783 ( 5.890 -1.482 -0.142) 6.076 3.089 ( 1.566 -2.381 0.627) 2.918 3.918 ( -5.602 6.020 5.689) 10.000 4.194 ( -2.169 -0.584 -4.059) 4.639 4.523 ( 0.650 -3.896 -11.303) 11.973 5.093 ( -0.256 5.638 -9.638) 11.169 6.218 ( -2.031 -2.320 -0.372) 3.106 6.437 ( 6.927 -1.325 0.199) 7.056 6.694 ( 0.117 -1.453 0.876) 1.700 6.883 ( -1.261 0.301 1.487) 1.973 6.951 ( 3.848 -2.057 9.424) 10.386 7.385 ( 7.015 6.866 6.705) 11.888 7.740 ( 5.679 -0.414 3.736) 6.810 7.862 ( -1.505 -0.933 -3.131) 3.597 8.295 ( -6.601 0.288 7.079) 9.683 8.664 ( -1.251 -3.147 -8.789) 9.419 9.523 ( 7.679 2.057 -5.627) 9.739 9.892 ( -0.711 -1.391 -6.114) 6.310 10.090 ( -7.422 2.174 3.557) 8.513 10.639 ( 16.590 0.427 -2.057) 16.722 11.324 ( -6.112 -4.915 -0.588) 7.865 12.050 ( -10.629 7.811 -7.658) 15.252 16.297 ( 2.720 -1.234 -1.790) 3.482 16.416 ( -2.873 2.642 -2.572) 4.674 17.128 ( -2.617 3.093 -1.698) 4.393 17.200 ( -1.064 0.787 -0.845) 1.570 17.523 ( 5.451 -2.836 2.237) 6.540 17.703 ( -2.689 -5.850 6.109) 8.875 17.804 ( 4.517 1.494 2.783) 5.512 18.690 ( 4.265 -6.293 1.315) 7.715 ======================= Grid point 265 (133/250) ======================= q-point: ( 0.22 0.22 0.27) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -0.291 0.000 8.684) 8.688 1.714 ( 10.969 -0.000 9.164) 14.293 1.895 ( -2.227 0.000 -0.701) 2.335 2.040 ( 4.004 -0.000 -1.869) 4.419 2.281 ( 0.417 -0.000 0.462) 0.622 2.411 ( 2.367 -0.000 1.191) 2.650 2.931 ( -1.545 0.000 -1.027) 1.855 3.084 ( -7.099 0.000 -3.541) 7.934 3.324 ( -15.223 0.000 15.528) 21.746 3.567 ( -4.553 0.000 -8.422) 9.574 4.592 ( 2.351 -0.000 -2.158) 3.191 5.423 ( 22.630 -0.000 -16.647) 28.094 6.117 ( -2.488 0.000 3.902) 4.627 6.581 ( -6.088 0.000 -2.808) 6.705 6.657 ( 3.141 -0.000 1.688) 3.566 7.060 ( 2.892 -0.000 3.366) 4.438 7.332 ( 0.959 -0.000 -6.895) 6.961 7.578 ( 5.776 -0.000 4.838) 7.535 7.803 ( -14.448 0.000 -0.682) 14.464 8.009 ( 5.263 -0.000 0.119) 5.264 8.245 ( 0.836 -0.000 8.385) 8.426 8.352 ( -5.969 0.000 -0.424) 5.984 9.550 ( -7.405 0.000 -0.987) 7.470 9.764 ( 6.437 -0.000 -11.610) 13.275 10.079 ( 5.922 -0.000 2.268) 6.341 10.789 ( -7.823 0.000 12.781) 14.985 11.342 ( 2.386 -0.000 7.378) 7.754 11.833 ( 19.443 -0.000 -27.695) 33.838 16.155 ( -0.051 0.000 -0.888) 0.890 16.367 ( -5.051 0.000 -1.303) 5.216 17.103 ( 0.946 -0.000 -4.231) 4.336 17.113 ( 1.648 -0.000 1.708) 2.373 17.573 ( -3.359 0.000 -0.378) 3.380 17.798 ( 8.223 -0.000 1.389) 8.340 18.156 ( -3.056 0.000 7.481) 8.081 18.856 ( -0.429 0.000 -8.961) 8.971 ======================= Grid point 266 (134/250) ======================= q-point: ( 0.33 0.22 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -1.422 -0.266 7.674) 7.809 1.817 ( -0.483 5.423 2.450) 5.970 1.870 ( 5.247 -1.637 5.354) 7.673 2.070 ( 5.096 0.432 -1.652) 5.374 2.256 ( -2.681 1.755 -1.055) 3.373 2.426 ( 0.439 -0.178 0.145) 0.495 2.811 ( -8.626 6.416 1.153) 10.812 3.022 ( -5.343 -1.970 -2.460) 6.203 3.323 ( -10.582 -6.302 13.254) 18.094 3.581 ( 3.707 -6.032 -7.193) 10.093 4.600 ( 4.586 2.123 -1.105) 5.173 5.570 ( 20.399 0.745 -15.426) 25.585 6.115 ( -1.087 0.238 4.197) 4.342 6.514 ( -6.718 -1.771 -3.744) 7.892 6.686 ( 1.752 0.104 0.321) 1.784 7.024 ( -4.003 2.648 -4.771) 6.768 7.354 ( 7.061 1.632 0.008) 7.247 7.618 ( -4.931 1.415 1.711) 5.408 7.634 ( -6.068 2.026 1.548) 6.582 7.971 ( -7.074 0.346 -7.686) 10.452 8.297 ( -0.202 -1.921 4.128) 4.558 8.361 ( 3.464 0.271 8.367) 9.060 9.456 ( -5.158 1.418 -0.327) 5.360 9.805 ( 5.786 -2.266 -12.270) 13.754 10.142 ( 4.740 0.093 1.283) 4.911 10.829 ( -4.360 -4.152 14.859) 16.032 11.467 ( 5.680 -4.805 10.551) 12.911 11.841 ( 14.780 5.624 -25.831) 30.287 16.162 ( 1.403 -0.138 -0.377) 1.459 16.317 ( -4.660 -0.913 -0.119) 4.750 17.070 ( 1.215 1.967 -1.812) 2.937 17.165 ( 1.352 -1.883 0.342) 2.343 17.536 ( -3.656 -0.149 -0.402) 3.681 17.877 ( 8.054 1.423 1.588) 8.332 18.137 ( -5.023 0.621 4.828) 6.994 18.758 ( -1.382 4.538 -10.820) 11.814 ======================= Grid point 267 (135/250) ======================= q-point: ( 0.44 0.22 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -2.956 -0.146 5.229) 6.008 1.684 ( -0.028 9.794 2.942) 10.226 1.934 ( -2.347 -0.096 4.024) 4.660 2.131 ( 5.265 -0.850 1.442) 5.525 2.146 ( -8.735 2.263 -4.195) 9.951 2.458 ( 3.183 -1.876 0.178) 3.699 2.616 ( -7.637 6.328 2.989) 10.359 2.991 ( -2.307 -0.031 -2.164) 3.163 3.415 ( -8.753 -9.171 10.988) 16.776 3.760 ( 9.584 -9.173 -6.590) 14.814 4.608 ( 5.782 3.203 1.983) 6.901 5.657 ( 14.491 3.094 -13.295) 19.908 6.124 ( -0.480 -0.158 3.944) 3.976 6.471 ( -5.844 -2.960 -5.988) 8.875 6.682 ( -1.288 0.440 -2.334) 2.702 6.878 ( -4.152 5.051 -8.049) 10.370 7.339 ( -3.531 3.773 3.211) 6.084 7.525 ( -1.309 0.570 3.778) 4.039 7.638 ( 3.102 0.909 -0.339) 3.250 7.848 ( -7.726 0.258 -6.208) 9.914 8.332 ( -2.475 -2.354 -0.493) 3.451 8.434 ( 3.702 0.720 9.168) 9.914 9.429 ( -0.559 -1.589 1.669) 2.371 9.826 ( 3.716 -0.852 -12.827) 13.382 10.183 ( 3.498 0.243 -0.162) 3.511 10.944 ( -3.504 -5.447 14.072) 15.491 11.607 ( 9.795 8.118 -12.486) 17.825 11.805 ( 6.277 -4.641 3.871) 8.713 16.176 ( 1.493 0.225 -0.540) 1.604 16.322 ( -1.275 -2.873 2.656) 4.115 17.046 ( 0.607 1.194 -0.905) 1.616 17.199 ( 0.361 -0.597 1.338) 1.509 17.503 ( -3.172 -0.432 -0.625) 3.261 17.928 ( 6.585 2.096 1.228) 7.019 18.057 ( -7.458 3.034 -0.582) 8.073 18.607 ( -0.012 5.554 -9.480) 10.987 ======================= Grid point 268 (136/250) ======================= q-point: (-0.44 0.22 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -3.180 0.747 2.714) 4.247 1.511 ( 0.375 12.235 3.961) 12.866 1.875 ( -8.520 1.837 4.876) 9.987 1.991 ( -10.063 0.324 -5.897) 11.668 2.196 ( -0.630 -1.743 3.389) 3.863 2.487 ( -1.900 4.420 4.193) 6.382 2.555 ( 6.906 -2.691 -0.535) 7.431 2.960 ( -0.224 0.890 -1.875) 2.088 3.554 ( -6.463 -10.457 9.198) 15.353 3.996 ( 12.931 -7.404 -7.824) 16.830 4.624 ( 4.719 3.331 5.737) 8.141 5.622 ( 3.727 5.730 -11.168) 13.094 6.149 ( -0.777 -1.192 4.043) 4.286 6.421 ( -2.628 -0.679 -12.650) 12.938 6.625 ( -4.924 0.011 -3.593) 6.095 6.744 ( 0.445 3.687 -3.624) 5.189 7.250 ( -7.026 2.077 4.913) 8.821 7.535 ( 2.394 2.207 5.684) 6.551 7.674 ( 3.191 -1.980 -2.488) 4.505 7.769 ( -0.516 1.221 -3.384) 3.634 8.320 ( -4.875 -1.783 -2.979) 5.985 8.496 ( 1.790 -0.446 7.446) 7.671 9.506 ( 3.167 -4.156 2.255) 5.691 9.797 ( 1.992 0.975 -12.243) 12.442 10.208 ( 2.683 0.142 -1.172) 2.931 11.047 ( -4.802 -4.643 8.884) 11.115 11.355 ( 5.469 17.252 -15.669) 23.939 12.062 ( 3.473 -9.001 14.637) 17.531 16.185 ( 1.658 0.064 -0.538) 1.745 16.409 ( 1.926 -4.055 5.617) 7.191 17.033 ( -0.790 -0.117 0.276) 0.845 17.213 ( 0.578 -0.062 1.681) 1.779 17.475 ( -3.285 -0.238 -1.334) 3.553 17.859 ( -7.233 7.110 -5.787) 11.677 17.967 ( 4.190 1.433 0.091) 4.429 18.506 ( 1.469 3.227 -5.227) 6.316 ======================= Grid point 269 (137/250) ======================= q-point: (-0.33 0.22 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.174 1.415 2.715) 3.067 1.315 ( -0.140 11.881 5.835) 13.237 1.781 ( -11.000 -0.752 4.596) 11.945 1.880 ( -8.321 -0.446 -2.924) 8.831 2.212 ( -2.678 -0.660 3.889) 4.768 2.447 ( 1.051 2.427 3.324) 4.248 2.671 ( 8.224 -1.807 -1.757) 8.602 2.948 ( 0.700 -0.276 -1.069) 1.307 3.725 ( -3.372 -10.706 7.742) 13.636 4.176 ( 13.522 -1.033 -8.618) 16.068 4.634 ( 2.085 2.784 5.369) 6.397 5.446 ( -6.802 6.401 -9.797) 13.536 6.157 ( -5.166 -1.403 1.098) 5.464 6.369 ( 6.479 0.973 -11.216) 12.989 6.588 ( -4.606 -3.153 -2.291) 6.033 6.729 ( 4.858 1.051 0.962) 5.063 7.148 ( -9.167 2.956 6.007) 11.351 7.556 ( 3.324 1.675 4.591) 5.910 7.717 ( 2.944 0.011 -2.442) 3.825 7.776 ( 5.664 -0.260 -1.606) 5.894 8.283 ( -5.762 -2.081 -2.425) 6.589 8.549 ( -0.148 -1.596 3.566) 3.910 9.632 ( 4.968 -3.862 0.152) 6.294 9.733 ( 0.431 1.390 -10.017) 10.122 10.224 ( 2.154 0.359 -1.196) 2.490 10.958 ( -0.276 11.296 -15.837) 19.455 11.177 ( -1.570 1.806 12.620) 12.845 12.248 ( -2.250 -4.245 10.220) 11.293 16.209 ( 2.824 -0.470 -0.183) 2.868 16.512 ( 0.306 -2.078 4.833) 5.269 17.061 ( 0.047 -3.627 3.456) 5.010 17.239 ( 2.724 -0.583 0.990) 2.957 17.411 ( -4.968 1.939 -3.999) 6.666 17.649 ( -4.937 5.674 -2.820) 8.033 17.978 ( 4.189 2.372 -1.736) 5.117 18.473 ( 0.960 0.033 -2.273) 2.467 ======================= Grid point 270 (138/250) ======================= q-point: (-0.22 0.22 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 1.802 6.897 10.197) 12.441 1.244 ( 5.388 1.910 6.325) 8.525 1.717 ( -9.223 -1.800 3.759) 10.120 1.815 ( -7.341 -2.600 -1.242) 7.886 2.216 ( -1.207 -0.469 3.242) 3.491 2.427 ( 0.622 2.318 1.060) 2.624 2.758 ( 7.414 0.011 -1.980) 7.674 2.982 ( 0.663 -2.999 -0.050) 3.072 3.913 ( -0.831 -8.980 5.786) 10.715 4.214 ( 6.598 5.222 -3.307) 9.041 4.597 ( 1.425 4.530 -5.117) 6.981 5.224 ( -8.719 3.521 -7.676) 12.138 6.134 ( -3.554 -2.098 -1.199) 4.298 6.410 ( 6.606 -0.545 -3.536) 7.513 6.614 ( -1.228 -3.814 -0.753) 4.077 6.803 ( 6.460 -1.584 2.578) 7.133 7.030 ( -6.615 3.684 6.686) 10.101 7.565 ( 1.901 2.556 2.328) 3.946 7.735 ( 2.728 0.204 -0.297) 2.751 7.843 ( 7.535 0.170 -1.246) 7.639 8.257 ( -5.634 -2.295 -0.166) 6.086 8.573 ( -2.541 -2.009 -1.291) 3.487 9.635 ( 3.062 3.837 -7.142) 8.666 9.771 ( 1.878 -5.173 -3.021) 6.278 10.207 ( -0.604 3.076 -0.341) 3.154 10.751 ( 7.435 7.188 -9.119) 13.788 11.205 ( -3.764 -1.117 10.047) 10.787 12.239 ( -8.328 2.257 2.779) 9.064 16.254 ( 3.091 -1.038 -0.213) 3.267 16.501 ( -3.371 1.856 -0.465) 3.877 17.167 ( -0.662 -3.454 4.311) 5.563 17.269 ( -2.117 3.361 -6.463) 7.586 17.351 ( 6.117 -4.541 6.832) 10.233 17.558 ( -2.560 0.858 1.650) 3.164 17.946 ( 2.795 4.251 -2.723) 5.770 18.508 ( 0.574 -3.958 -0.951) 4.111 ======================= Grid point 271 (139/250) ======================= q-point: (-0.11 0.22 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 2.852 4.123 10.812) 11.917 1.334 ( 9.482 1.801 10.993) 14.629 1.710 ( -3.862 -3.942 4.247) 6.963 1.811 ( -6.153 -5.302 -0.765) 8.158 2.231 ( 0.236 -0.466 1.445) 1.537 2.391 ( 1.753 2.961 -0.799) 3.533 2.814 ( 4.033 -0.619 -0.517) 4.113 3.049 ( 0.523 -3.645 -0.356) 3.699 3.975 ( -5.553 3.945 4.021) 7.910 4.163 ( -2.453 1.386 -0.429) 2.850 4.471 ( -0.441 3.385 -9.749) 10.330 5.121 ( 3.241 0.785 -9.261) 9.843 6.145 ( -2.691 -2.436 0.379) 3.650 6.472 ( 3.505 -1.398 0.430) 3.798 6.676 ( 1.416 -2.620 1.100) 3.175 6.870 ( -2.275 -0.074 1.669) 2.823 7.029 ( 8.445 -1.484 7.940) 11.686 7.525 ( -0.895 2.545 -1.833) 3.261 7.767 ( 3.558 0.495 3.301) 4.879 7.904 ( 6.020 0.559 -0.435) 6.062 8.241 ( -5.090 -1.270 3.304) 6.200 8.554 ( -4.955 -2.158 -5.467) 7.688 9.585 ( 2.145 1.836 -3.880) 4.798 9.841 ( 2.365 -2.562 -5.862) 6.821 10.107 ( -2.952 5.060 0.267) 5.864 10.790 ( 13.281 0.119 -1.521) 13.368 11.228 ( -2.073 -1.889 4.056) 4.931 12.045 ( -10.682 7.283 -4.491) 13.687 16.283 ( -0.986 -0.304 -1.614) 1.916 16.430 ( -0.236 1.750 -2.070) 2.721 17.137 ( -3.954 2.688 0.028) 4.781 17.209 ( 0.549 0.705 -2.145) 2.324 17.555 ( 3.185 -0.852 0.945) 3.430 17.596 ( 2.649 -7.778 8.365) 11.725 17.893 ( 3.102 2.915 1.446) 4.495 18.606 ( 0.735 -6.923 -1.693) 7.165 ======================= Grid point 275 (140/250) ======================= q-point: ( 0.33 0.33 0.27) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -2.580 0.000 8.067) 8.470 1.871 ( -1.546 0.000 3.150) 3.509 1.896 ( -0.839 0.000 2.326) 2.473 2.108 ( 4.689 -0.000 -3.544) 5.878 2.231 ( -5.841 0.000 -0.824) 5.899 2.425 ( -0.097 0.000 1.915) 1.917 2.833 ( -6.716 0.000 -0.740) 6.756 2.886 ( -7.154 0.000 2.463) 7.566 3.240 ( -7.108 0.000 10.869) 12.986 3.576 ( 10.880 -0.000 -4.932) 11.945 4.673 ( 7.121 -0.000 -0.962) 7.186 5.711 ( 18.411 -0.000 -14.973) 23.731 6.125 ( -1.272 0.000 3.717) 3.928 6.401 ( -7.489 0.000 -5.302) 9.176 6.685 ( -1.925 0.000 -2.171) 2.901 6.967 ( -4.028 0.000 -8.562) 9.462 7.466 ( -16.125 0.000 1.020) 16.157 7.482 ( 10.850 -0.000 3.153) 11.299 7.697 ( 1.845 -0.000 4.059) 4.459 7.832 ( -10.058 0.000 -10.988) 14.896 8.284 ( -2.530 0.000 3.414) 4.249 8.449 ( 4.522 -0.000 7.943) 9.140 9.410 ( -4.703 0.000 -0.271) 4.711 9.805 ( 6.770 -0.000 -10.009) 12.084 10.188 ( 2.762 -0.000 1.313) 3.058 10.845 ( 0.258 -0.000 15.786) 15.788 11.538 ( 6.807 -0.000 13.030) 14.701 11.918 ( 12.735 -0.000 -27.263) 30.091 16.187 ( 3.190 -0.000 0.717) 3.270 16.264 ( -3.647 0.000 0.766) 3.727 17.098 ( 2.069 -0.000 -3.944) 4.454 17.167 ( 1.708 -0.000 2.343) 2.899 17.495 ( -3.586 0.000 -0.480) 3.618 17.980 ( 7.189 -0.000 1.772) 7.404 18.096 ( -7.594 0.000 3.887) 8.531 18.716 ( -2.751 0.000 -14.079) 14.346 ======================= Grid point 276 (141/250) ======================= q-point: (-0.56 -0.67 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -3.407 0.615 6.914) 7.732 1.827 ( -1.405 4.710 4.310) 6.537 1.870 ( -7.474 -1.877 -1.097) 7.783 2.089 ( -9.998 4.749 -1.255) 11.139 2.147 ( 0.553 -0.921 -2.386) 2.616 2.469 ( 3.733 -1.715 3.176) 5.192 2.672 ( -5.523 6.108 1.547) 8.379 2.929 ( -1.092 -4.115 -0.087) 4.259 3.256 ( -7.683 -4.992 11.008) 14.322 3.742 ( 15.509 -4.900 -3.587) 16.655 4.736 ( 8.447 2.123 0.860) 8.752 5.786 ( 11.779 3.045 -13.807) 18.402 6.123 ( -2.104 -0.518 2.802) 3.542 6.322 ( -6.905 -2.654 -7.223) 10.339 6.622 ( -6.364 -0.344 -7.211) 9.624 6.882 ( -0.970 2.659 -7.472) 7.990 7.312 ( -10.637 1.317 2.449) 10.994 7.591 ( 4.320 0.931 2.443) 5.049 7.668 ( 0.649 1.806 -2.543) 3.186 7.758 ( -2.361 -1.955 -0.565) 3.117 8.269 ( -4.112 -0.917 0.429) 4.235 8.505 ( 1.107 0.447 5.368) 5.499 9.393 ( -1.222 -1.797 1.826) 2.839 9.827 ( 5.613 0.562 -8.196) 9.950 10.212 ( 1.325 0.022 0.539) 1.431 10.938 ( 1.042 -1.349 13.346) 13.454 11.713 ( 7.548 -3.149 9.136) 12.261 11.863 ( 8.649 4.476 -19.211) 21.538 16.207 ( 1.825 1.341 1.044) 2.494 16.284 ( 1.595 -2.966 3.193) 4.641 17.082 ( 1.810 2.005 -2.701) 3.820 17.202 ( 1.071 -0.633 1.861) 2.238 17.462 ( -2.833 -0.398 -0.835) 2.980 18.009 ( -8.419 1.490 1.664) 8.710 18.032 ( 3.616 1.892 0.816) 4.162 18.604 ( -1.708 1.831 -14.643) 14.855 ======================= Grid point 277 (142/250) ======================= q-point: (-0.44 -0.67 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -2.368 0.785 4.634) 5.263 1.724 ( -0.876 8.450 3.719) 9.273 1.812 ( -10.186 -2.904 -3.087) 11.032 1.847 ( -14.139 5.944 1.909) 15.456 2.164 ( -2.353 -1.986 0.337) 3.097 2.550 ( -2.879 3.927 3.998) 6.300 2.578 ( 6.281 -3.081 0.469) 7.012 2.968 ( 2.398 0.035 -2.604) 3.540 3.360 ( -6.689 -9.566 12.103) 16.815 4.002 ( 17.664 -6.499 -3.951) 19.232 4.772 ( 6.627 4.088 3.665) 8.606 5.695 ( -0.233 7.125 -13.117) 14.929 6.123 ( -4.513 -0.740 3.315) 5.648 6.293 ( -1.972 -4.672 -11.265) 12.354 6.523 ( -6.844 -1.140 -9.602) 11.846 6.804 ( 1.734 3.028 -3.546) 4.975 7.225 ( -6.402 1.150 3.716) 7.491 7.557 ( -0.493 0.005 -3.655) 3.688 7.721 ( 6.177 0.795 2.450) 6.693 7.781 ( 1.356 -0.780 3.396) 3.739 8.234 ( -3.923 -0.795 -3.277) 5.173 8.515 ( -2.598 -0.377 4.049) 4.825 9.461 ( 1.352 -4.225 2.626) 5.155 9.820 ( 4.307 2.334 -6.593) 8.213 10.224 ( 1.071 -0.179 -0.339) 1.138 11.006 ( -1.420 -0.941 6.194) 6.424 11.620 ( 7.431 13.639 -16.128) 22.391 12.010 ( 3.027 -8.046 13.801) 16.259 16.213 ( 2.189 0.829 1.539) 2.801 16.400 ( 4.525 -3.781 5.457) 8.035 17.045 ( -0.019 2.088 -1.174) 2.395 17.226 ( 1.240 -0.297 1.321) 1.836 17.439 ( -2.273 -0.107 -1.171) 2.559 17.854 ( -9.072 4.633 -3.507) 10.774 18.035 ( 1.752 1.380 1.181) 2.523 18.508 ( 0.002 1.403 -11.877) 11.959 ======================= Grid point 278 (143/250) ======================= q-point: (-0.33 -0.67 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 1.531 -0.203 2.544) 2.976 1.524 ( -5.205 10.344 3.914) 12.224 1.679 ( -10.006 1.152 3.430) 10.640 1.754 ( -8.699 -1.880 0.421) 8.910 2.171 ( -3.920 -2.027 2.423) 5.035 2.489 ( -1.831 1.757 1.305) 2.853 2.712 ( 7.195 -3.179 1.539) 8.015 2.957 ( 1.503 1.548 -3.863) 4.425 3.548 ( -2.603 -11.138 11.340) 16.106 4.259 ( 17.663 -3.545 -6.382) 19.112 4.755 ( 1.754 5.275 5.858) 8.075 5.442 ( -8.985 8.700 -13.317) 18.269 6.084 ( -5.210 -0.837 0.275) 5.284 6.340 ( 2.755 -4.634 -9.157) 10.627 6.464 ( -4.759 -3.561 -6.259) 8.632 6.795 ( 4.148 0.810 -0.089) 4.227 7.153 ( -4.316 2.838 4.332) 6.742 7.566 ( 1.402 -1.198 -3.334) 3.810 7.749 ( 1.343 0.155 -0.393) 1.408 7.851 ( 5.496 0.049 6.609) 8.595 8.201 ( -0.592 -0.689 -5.346) 5.423 8.506 ( -5.633 -1.755 2.574) 6.437 9.572 ( 1.780 -5.398 0.766) 5.735 9.777 ( 2.936 3.917 -4.705) 6.790 10.243 ( 1.935 -0.402 -0.590) 2.062 10.969 ( -3.102 2.186 -9.538) 10.265 11.406 ( 5.994 13.379 3.071) 14.979 12.187 ( -2.870 -4.939 10.204) 11.694 16.237 ( 2.699 0.244 1.754) 3.228 16.518 ( 2.728 -1.368 4.047) 5.069 17.030 ( -0.044 -1.426 2.665) 3.023 17.262 ( 3.593 -0.917 0.149) 3.712 17.391 ( -3.274 1.929 -1.671) 4.151 17.673 ( -5.709 4.689 -2.652) 7.850 18.039 ( 1.378 0.549 0.178) 1.494 18.439 ( -1.183 0.354 -9.648) 9.727 ======================= Grid point 279 (144/250) ======================= q-point: (-0.22 0.33 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 7.328 -2.024 3.615) 8.418 1.367 ( -2.393 6.058 8.229) 10.494 1.588 ( -8.758 -0.285 1.951) 8.977 1.714 ( -6.398 -1.762 3.262) 7.394 2.181 ( -3.364 -2.173 3.121) 5.077 2.456 ( -1.030 0.792 -0.202) 1.315 2.830 ( 6.930 -0.565 0.273) 6.958 2.927 ( -1.819 -1.217 -3.300) 3.960 3.777 ( 1.084 -10.378 8.571) 13.504 4.356 ( 6.200 5.462 -4.660) 9.486 4.701 ( 3.547 5.782 -0.862) 6.838 5.155 ( -9.545 4.173 -9.842) 14.331 6.074 ( -0.891 -1.550 -0.455) 1.845 6.402 ( 1.789 -3.130 -4.645) 5.880 6.500 ( -2.026 -6.814 -2.178) 7.435 6.842 ( 3.562 -0.564 1.373) 3.859 7.092 ( 0.288 3.334 4.576) 5.669 7.562 ( -1.441 0.223 -3.703) 3.979 7.764 ( 0.587 -1.511 -1.350) 2.109 7.926 ( 3.630 0.842 7.252) 8.153 8.207 ( 4.913 -0.235 -5.233) 7.182 8.479 ( -8.129 -2.420 0.033) 8.481 9.663 ( -1.531 -2.484 -2.817) 4.056 9.726 ( 4.836 1.515 -2.445) 5.627 10.254 ( 1.491 1.695 -1.286) 2.598 10.840 ( 2.916 2.593 -15.088) 15.584 11.316 ( 2.275 8.146 15.519) 17.674 12.196 ( -8.255 0.869 3.945) 9.190 16.267 ( 1.456 -0.083 1.187) 1.881 16.512 ( -1.299 2.497 -1.218) 3.067 17.118 ( 0.201 -4.120 5.743) 7.071 17.277 ( -2.054 3.102 -4.586) 5.906 17.377 ( 6.208 -3.213 5.935) 9.170 17.572 ( -1.234 2.036 0.045) 2.382 18.028 ( 1.583 2.766 -0.847) 3.297 18.400 ( -3.287 -3.762 -8.019) 9.448 ======================= Grid point 280 (145/250) ======================= q-point: (-0.11 0.33 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.973 4.493 7.155) 8.505 1.501 ( 13.006 -2.516 7.961) 15.456 1.540 ( -9.225 -5.139 -0.165) 10.561 1.722 ( -2.438 -2.087 6.617) 7.354 2.206 ( -2.040 -2.211 2.579) 3.962 2.435 ( 0.604 0.882 -1.862) 2.147 2.839 ( -0.086 1.443 -1.727) 2.252 2.972 ( -0.154 -4.613 -1.041) 4.731 3.960 ( 0.294 -3.946 2.752) 4.820 4.200 ( -7.455 7.853 1.937) 11.000 4.539 ( -1.406 9.807 -8.150) 12.829 5.112 ( 7.301 -3.294 -7.734) 11.134 6.098 ( -0.321 -1.331 0.440) 1.438 6.457 ( 1.149 -3.174 0.189) 3.381 6.617 ( 1.375 -6.774 0.073) 6.913 6.864 ( -0.935 0.741 1.642) 2.030 7.120 ( 6.506 -0.697 3.937) 7.636 7.502 ( -2.798 1.428 -4.580) 5.554 7.795 ( -1.557 -3.140 -2.704) 4.426 7.959 ( 1.098 2.002 9.078) 9.360 8.253 ( 8.244 0.991 -3.372) 8.962 8.425 ( -9.367 -2.451 -2.254) 9.941 9.599 ( -4.135 2.111 -1.480) 4.873 9.809 ( 6.935 -2.906 -5.341) 9.223 10.183 ( -0.269 5.299 -3.249) 6.222 10.875 ( 10.767 -3.554 -7.703) 13.708 11.276 ( -0.650 5.203 13.907) 14.863 12.042 ( -9.685 6.011 -1.081) 11.450 16.263 ( -1.846 0.682 -0.972) 2.195 16.450 ( -0.358 1.926 -1.593) 2.525 17.145 ( -3.516 2.005 1.854) 4.452 17.208 ( -0.140 0.095 -1.435) 1.445 17.518 ( -0.395 -2.402 4.417) 5.044 17.625 ( 9.601 -3.415 3.306) 10.713 17.979 ( 1.554 3.352 1.485) 3.982 18.440 ( -3.174 -8.356 -7.031) 11.372 ======================= Grid point 285 (146/250) ======================= q-point: (-0.56 -0.56 0.27) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -3.846 0.000 7.639) 8.553 1.734 ( -12.574 0.000 -3.487) 13.049 1.843 ( -6.433 0.000 4.680) 7.955 2.071 ( -6.456 0.000 0.705) 6.494 2.098 ( -2.459 0.000 -3.776) 4.506 2.500 ( 4.195 -0.000 -0.669) 4.248 2.683 ( -7.292 0.000 4.082) 8.357 2.900 ( 5.056 -0.000 3.435) 6.112 3.182 ( -7.462 0.000 9.313) 11.934 3.870 ( 18.945 -0.000 -0.864) 18.965 4.852 ( 9.201 -0.000 0.932) 9.248 5.860 ( 7.073 -0.000 -14.132) 15.804 6.082 ( -4.557 0.000 -0.330) 4.569 6.192 ( -7.569 0.000 -6.045) 9.687 6.494 ( -8.242 0.000 -11.893) 14.470 6.873 ( 0.248 -0.000 -6.399) 6.404 7.238 ( -6.660 0.000 2.636) 7.163 7.576 ( -1.755 0.000 -7.087) 7.301 7.734 ( -2.128 0.000 5.236) 5.652 7.756 ( 9.145 -0.000 4.234) 10.077 8.218 ( -4.704 0.000 0.198) 4.708 8.513 ( -2.778 0.000 0.707) 2.867 9.382 ( 0.408 -0.000 3.535) 3.559 9.866 ( 5.562 -0.000 -4.473) 7.137 10.219 ( -0.380 0.000 1.032) 1.100 11.000 ( 1.448 -0.000 8.521) 8.643 11.805 ( 5.978 -0.000 14.236) 15.441 11.903 ( 9.127 -0.000 -22.026) 23.842 16.262 ( 1.686 -0.000 4.147) 4.476 16.294 ( 5.448 -0.000 2.924) 6.183 17.110 ( 1.995 -0.000 -3.279) 3.838 17.218 ( 1.342 -0.000 1.766) 2.219 17.426 ( -2.215 0.000 -1.576) 2.719 17.930 ( -10.580 0.000 2.051) 10.777 18.071 ( -0.899 0.000 -0.898) 1.271 18.537 ( 0.771 -0.000 -16.074) 16.092 ======================= Grid point 286 (147/250) ======================= q-point: (-0.44 -0.56 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -3.513 0.628 6.639) 7.538 1.595 ( -15.411 -2.437 -3.521) 15.995 1.756 ( -9.781 2.100 4.096) 10.810 1.941 ( -2.021 8.155 0.961) 8.456 2.082 ( -4.927 -2.612 -0.720) 5.623 2.528 ( -1.460 -1.443 -5.722) 6.079 2.638 ( 0.581 1.401 9.001) 9.128 2.998 ( 6.646 -0.407 -1.854) 6.911 3.205 ( -6.574 -6.603 13.535) 16.432 4.103 ( 20.086 -3.302 0.024) 20.355 4.916 ( 5.941 2.949 1.976) 6.921 5.744 ( -3.417 7.457 -14.593) 16.740 6.064 ( -5.864 -1.348 2.274) 6.432 6.129 ( -2.748 -5.015 -10.528) 11.981 6.373 ( -6.567 -1.811 -13.017) 14.692 6.840 ( 1.394 1.248 -4.162) 4.563 7.204 ( -2.543 0.309 2.360) 3.483 7.551 ( 3.381 0.396 -5.284) 6.285 7.735 ( -3.795 -0.715 4.555) 5.972 7.862 ( 7.457 0.516 6.258) 9.749 8.179 ( -2.717 -0.685 -1.634) 3.244 8.468 ( -5.602 -0.408 -1.237) 5.752 9.430 ( 1.309 -2.302 3.677) 4.531 9.888 ( 4.650 2.007 -2.193) 5.520 10.221 ( -0.544 -0.529 1.043) 1.290 11.010 ( -1.888 0.985 -0.910) 2.316 11.831 ( 9.477 7.844 -11.863) 17.090 11.978 ( 2.503 -5.099 11.293) 12.641 16.283 ( 3.936 2.354 4.316) 6.298 16.415 ( 6.052 -3.696 5.372) 8.897 17.085 ( 0.363 2.799 -2.297) 3.640 17.240 ( 1.641 -0.327 0.736) 1.828 17.407 ( -1.448 -0.749 -2.101) 2.659 17.808 ( -10.033 2.300 0.316) 10.298 18.019 ( -5.911 -0.658 -4.027) 7.182 18.490 ( 4.103 1.403 -12.609) 13.334 ======================= Grid point 287 (148/250) ======================= q-point: (-0.33 -0.56 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -3.493 -1.106 4.149) 5.535 1.459 ( -15.842 -1.263 0.113) 15.893 1.660 ( -6.261 0.437 6.290) 8.886 1.789 ( 0.295 8.712 0.809) 8.754 2.083 ( -5.581 -3.398 2.228) 6.904 2.482 ( -3.237 0.641 -1.945) 3.830 2.715 ( 2.825 -3.215 3.230) 5.362 3.001 ( 2.661 2.728 -4.228) 5.692 3.397 ( -0.183 -10.685 14.017) 17.626 4.367 ( 18.768 -3.346 -2.457) 19.222 4.883 ( -0.179 5.342 4.524) 7.003 5.447 ( -9.542 10.275 -15.738) 21.078 6.036 ( -1.715 -0.675 0.626) 1.946 6.192 ( -0.610 -7.958 -9.296) 12.252 6.316 ( -4.318 -3.896 -9.244) 10.921 6.839 ( 3.173 0.269 -0.976) 3.331 7.182 ( -0.690 1.442 1.609) 2.268 7.571 ( 4.100 0.487 -2.568) 4.863 7.708 ( -6.350 -0.904 0.802) 6.464 7.953 ( 5.692 0.543 8.319) 10.094 8.186 ( 3.123 -1.436 -3.892) 5.193 8.410 ( -7.070 -1.158 -1.260) 7.274 9.507 ( 0.544 -3.845 0.912) 3.988 9.870 ( 3.442 4.086 -0.306) 5.351 10.242 ( 0.730 -1.279 0.984) 1.771 10.919 ( -4.481 1.911 -11.977) 12.930 11.721 ( 9.217 12.110 0.433) 15.225 12.115 ( -3.249 -4.603 9.267) 10.845 16.302 ( 3.675 2.294 4.135) 5.989 16.549 ( 4.151 -1.367 3.636) 5.685 17.034 ( -0.272 0.913 1.514) 1.789 17.280 ( 3.711 -1.285 -0.634) 3.979 17.386 ( -1.693 0.782 -1.219) 2.228 17.671 ( -6.179 2.991 -0.555) 6.888 17.974 ( -6.787 -4.257 -4.328) 9.106 18.433 ( 2.995 3.946 -10.298) 11.428 ======================= Grid point 288 (149/250) ======================= q-point: (-0.22 -0.56 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -9.982 -3.982 3.527) 11.311 1.381 ( -5.378 -3.928 5.790) 8.825 1.649 ( 0.577 8.234 1.216) 8.344 1.678 ( 1.135 -1.316 7.164) 7.372 2.104 ( -4.810 -3.585 3.894) 7.152 2.438 ( -2.364 0.059 -1.768) 2.952 2.804 ( -0.779 -4.515 -0.866) 4.663 2.948 ( 2.034 3.708 -2.818) 5.082 3.657 ( 3.045 -10.613 10.548) 15.270 4.477 ( 3.110 5.076 -5.055) 7.809 4.852 ( 7.893 3.533 4.320) 9.666 5.098 ( -10.484 7.583 -13.417) 18.640 6.059 ( 2.439 -1.030 -1.113) 2.872 6.297 ( 0.792 -7.797 -7.847) 11.090 6.339 ( -2.369 -6.265 -1.974) 6.983 6.874 ( 2.861 -0.168 1.086) 3.065 7.157 ( 0.681 1.703 0.659) 1.949 7.556 ( -3.235 1.789 0.612) 3.747 7.681 ( -2.549 -2.698 -3.595) 5.167 8.024 ( 3.417 1.445 9.603) 10.295 8.240 ( 2.941 -2.439 -5.949) 7.070 8.363 ( -2.515 -0.526 -1.206) 2.839 9.567 ( -1.928 -3.866 -3.217) 5.386 9.832 ( 4.555 4.303 1.154) 6.372 10.274 ( 0.795 -0.345 -0.291) 0.914 10.790 ( -1.871 -0.176 -16.228) 16.337 11.613 ( 5.295 12.489 12.356) 18.349 12.138 ( -6.790 -0.622 4.276) 8.048 16.306 ( 1.374 2.303 2.763) 3.850 16.544 ( -0.804 2.966 -1.727) 3.525 17.088 ( 0.964 -2.923 5.923) 6.675 17.294 ( -1.024 2.580 -3.574) 4.525 17.412 ( 6.042 -3.117 5.548) 8.775 17.591 ( -1.079 1.351 0.238) 1.745 17.987 ( -5.455 -6.270 -4.426) 9.416 18.324 ( -0.405 4.436 -9.142) 10.169 ======================= Grid point 289 (150/250) ======================= q-point: (-0.11 -0.56 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -10.511 -6.943 3.062) 12.964 1.461 ( -5.367 -1.634 -0.173) 5.613 1.588 ( 7.057 0.242 10.870) 12.962 1.772 ( 7.652 -0.232 7.004) 10.376 2.142 ( -3.603 -3.480 4.449) 6.700 2.416 ( -1.461 -0.954 -2.537) 3.079 2.802 ( -5.992 -0.670 -5.516) 8.172 2.934 ( 2.583 -0.249 0.810) 2.719 3.890 ( 3.347 -7.478 3.861) 9.057 4.275 ( -9.670 9.862 0.473) 13.820 4.682 ( -3.510 12.581 -7.870) 15.249 5.107 ( 12.379 -5.159 -3.756) 13.927 6.092 ( 1.659 -0.504 -0.607) 1.837 6.391 ( 1.438 -5.610 -2.821) 6.442 6.477 ( 1.208 -9.338 -0.925) 9.461 6.888 ( -0.231 1.474 1.664) 2.235 7.161 ( 2.477 -0.546 0.032) 2.537 7.485 ( -5.229 0.362 -0.055) 5.242 7.686 ( -2.389 -1.617 -2.967) 4.138 8.058 ( 0.771 2.074 8.539) 8.821 8.241 ( -6.912 -3.856 -3.621) 8.704 8.388 ( 9.408 1.978 -2.957) 10.058 9.555 ( -4.556 -0.478 -3.121) 5.544 9.852 ( 7.806 0.701 -2.423) 8.204 10.235 ( -1.157 3.291 -4.139) 5.413 10.809 ( 4.897 -7.653 -11.351) 14.539 11.492 ( -1.716 11.227 15.430) 19.159 12.055 ( -5.015 4.196 2.723) 7.083 16.268 ( -1.576 2.359 -0.535) 2.887 16.478 ( -0.720 2.554 -0.260) 2.666 17.142 ( -1.881 -0.424 3.509) 4.004 17.216 ( -1.097 2.427 -0.936) 2.823 17.519 ( 1.044 -0.368 3.415) 3.589 17.669 ( 8.952 -4.331 2.961) 10.376 18.013 ( -3.081 -2.680 -1.887) 4.498 18.237 ( -2.629 -2.825 -8.341) 9.190 ======================= Grid point 295 (151/250) ======================= q-point: (-0.44 -0.44 0.27) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -6.183 0.000 8.430) 10.454 1.390 ( -16.938 0.000 -2.080) 17.065 1.704 ( -6.913 0.000 3.579) 7.785 1.956 ( -8.719 0.000 -1.913) 8.926 2.034 ( 0.552 -0.000 0.919) 1.072 2.467 ( -2.338 0.000 -4.313) 4.906 2.687 ( -0.263 0.000 6.654) 6.659 3.052 ( 2.744 -0.000 -3.591) 4.520 3.162 ( 0.587 -0.000 16.726) 16.736 4.288 ( 19.834 -0.000 1.766) 19.912 4.993 ( 1.621 -0.000 1.567) 2.255 5.701 ( -8.192 0.000 -16.648) 18.554 5.973 ( -2.049 0.000 -6.759) 7.063 6.042 ( -1.572 0.000 -0.336) 1.608 6.230 ( -5.057 0.000 -14.493) 15.350 6.848 ( 2.023 -0.000 -3.147) 3.742 7.201 ( -0.531 0.000 1.080) 1.204 7.584 ( 6.055 -0.000 -5.238) 8.007 7.702 ( -6.961 0.000 7.184) 10.003 7.963 ( 5.771 -0.000 5.706) 8.115 8.144 ( -1.176 0.000 0.134) 1.183 8.394 ( -5.102 0.000 -4.041) 6.508 9.437 ( 0.474 -0.000 2.988) 3.025 9.951 ( 4.539 -0.000 0.069) 4.539 10.213 ( -1.148 0.000 2.394) 2.655 10.963 ( -4.951 0.000 -10.151) 11.294 11.968 ( 10.304 -0.000 -7.328) 12.645 11.994 ( 0.733 -0.000 10.884) 10.909 16.403 ( 6.542 -0.000 6.826) 9.455 16.451 ( 5.832 -0.000 5.387) 7.939 17.109 ( 0.196 -0.000 -2.222) 2.230 17.251 ( 1.246 -0.000 -1.035) 1.620 17.369 ( -1.400 0.000 -2.845) 3.171 17.733 ( -9.834 0.000 3.363) 10.393 17.883 ( -10.155 0.000 -10.720) 14.766 18.520 ( 7.324 -0.000 -9.411) 11.925 ======================= Grid point 296 (152/250) ======================= q-point: (-0.33 -0.44 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -10.868 0.288 6.784) 12.815 1.257 ( -15.609 -3.177 3.598) 16.330 1.668 ( -0.056 1.117 4.504) 4.640 1.859 ( -8.040 0.282 -0.452) 8.058 2.022 ( 0.206 1.618 1.654) 2.323 2.438 ( -2.352 -0.579 -2.470) 3.459 2.706 ( -0.274 -0.555 2.511) 2.586 3.034 ( -0.492 0.680 -2.015) 2.183 3.334 ( 5.431 -6.087 14.398) 16.548 4.495 ( 15.065 -1.498 -1.530) 15.217 4.968 ( -1.589 3.214 4.924) 6.091 5.442 ( -10.148 8.143 -16.948) 21.367 5.982 ( -1.280 -4.975 -7.979) 9.490 6.069 ( 4.899 -1.317 -1.859) 5.403 6.166 ( -2.438 -4.011 -9.600) 10.686 6.865 ( 2.841 -0.220 -0.912) 2.992 7.195 ( -0.561 0.431 0.017) 0.708 7.620 ( 4.291 -0.259 -3.082) 5.289 7.630 ( -10.574 1.353 4.731) 11.663 8.041 ( 3.783 -0.528 6.507) 7.545 8.162 ( 0.338 -1.071 0.607) 1.276 8.346 ( 0.376 -0.535 -4.603) 4.650 9.458 ( -1.026 -1.782 -0.076) 2.058 9.974 ( 3.919 2.772 1.463) 5.019 10.228 ( -0.467 -1.307 3.075) 3.373 10.824 ( -7.100 1.177 -17.072) 18.527 11.990 ( 9.590 6.925 0.034) 11.829 12.053 ( -3.402 -2.626 7.686) 8.806 16.434 ( 5.304 4.719 5.984) 9.285 16.580 ( 4.083 -2.017 3.817) 5.942 17.066 ( -0.259 2.329 0.784) 2.471 17.275 ( 1.590 -2.387 -3.346) 4.407 17.366 ( -0.122 -1.184 -0.388) 1.252 17.648 ( -6.008 1.330 2.198) 6.534 17.760 ( -10.758 -4.138 -10.097) 15.323 18.522 ( 6.469 4.229 -7.896) 11.049 ======================= Grid point 297 (153/250) ======================= q-point: (-0.22 -0.44 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -14.614 -0.987 8.132) 16.754 1.224 ( -9.684 -6.843 6.710) 13.625 1.716 ( 2.189 -1.483 5.344) 5.963 1.781 ( 0.529 3.363 1.979) 3.938 2.022 ( -2.072 -1.514 3.519) 4.355 2.408 ( -2.019 0.320 -1.746) 2.688 2.720 ( -2.008 -1.995 -2.282) 3.636 3.007 ( 0.828 1.902 -1.247) 2.420 3.579 ( 5.241 -8.567 11.334) 15.143 4.539 ( -1.713 3.906 -5.899) 7.280 4.986 ( 5.917 -0.320 5.167) 7.861 5.112 ( -5.253 10.838 -12.125) 17.090 6.023 ( 0.288 -4.801 -8.457) 9.729 6.147 ( 3.219 -5.135 -7.999) 10.036 6.242 ( 4.268 -4.817 1.871) 6.702 6.901 ( 2.479 -0.478 0.818) 2.654 7.175 ( -0.728 0.767 -0.526) 1.180 7.498 ( -12.581 1.198 2.648) 12.912 7.654 ( 1.294 -1.210 -1.178) 2.128 8.113 ( 0.989 -1.429 6.034) 6.280 8.140 ( -4.129 1.289 0.491) 4.353 8.406 ( 10.759 -1.172 -4.961) 11.906 9.473 ( -2.044 -2.758 -3.840) 5.151 9.961 ( 4.197 4.029 2.137) 6.198 10.262 ( -0.683 -1.241 1.614) 2.147 10.662 ( -5.812 -0.940 -18.055) 18.991 11.900 ( -1.067 10.298 6.658) 12.309 12.097 ( 0.584 -0.822 4.818) 4.922 16.402 ( 1.069 5.492 2.579) 6.161 16.579 ( -0.984 2.744 -0.487) 2.956 17.094 ( 2.157 -1.115 5.754) 6.246 17.299 ( -0.374 0.019 -3.851) 3.869 17.437 ( 5.636 -3.869 5.621) 8.851 17.599 ( -1.166 0.578 0.973) 1.625 17.719 ( -10.176 -8.725 -10.204) 16.846 18.429 ( 3.125 8.195 -5.887) 10.563 ======================= Grid point 298 (154/250) ======================= q-point: (-0.11 -0.44 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -12.393 -4.742 7.193) 15.094 1.309 ( -7.401 -7.501 4.399) 11.418 1.728 ( 2.714 1.953 7.618) 8.320 1.859 ( 7.050 -1.872 5.295) 9.014 2.065 ( -1.632 -3.687 4.841) 6.300 2.374 ( -2.225 0.157 -1.648) 2.774 2.702 ( -3.443 -1.183 -6.149) 7.146 2.978 ( 0.913 2.094 0.331) 2.308 3.816 ( 4.636 -7.904 5.212) 10.542 4.337 ( -9.460 8.805 -1.841) 13.054 4.786 ( -5.772 9.063 -10.874) 15.287 5.182 ( 14.366 -1.917 2.896) 14.779 6.081 ( 2.321 -3.316 -4.404) 5.982 6.243 ( 1.550 -7.549 -8.814) 11.708 6.397 ( 5.883 -4.801 3.718) 8.455 6.916 ( -0.522 1.328 0.971) 1.725 7.168 ( 0.907 -0.647 0.406) 1.186 7.382 ( -11.011 -1.218 2.263) 11.307 7.667 ( -2.053 -0.935 -0.064) 2.257 8.050 ( -6.455 1.126 -3.288) 7.331 8.185 ( 2.244 -0.946 8.976) 9.301 8.504 ( 11.099 1.105 -5.999) 12.665 9.481 ( -0.871 -2.360 -5.136) 5.719 9.948 ( 4.867 3.176 -0.971) 5.892 10.239 ( -2.295 1.495 -3.591) 4.517 10.636 ( -0.859 -8.149 -11.160) 13.845 11.689 ( -9.378 10.764 7.447) 16.102 12.130 ( 3.695 2.814 7.344) 8.690 16.300 ( -2.608 4.143 -2.285) 5.403 16.530 ( 0.133 3.146 3.501) 4.709 17.139 ( -0.286 -0.104 3.675) 3.687 17.249 ( -1.095 2.661 -1.010) 3.050 17.546 ( 1.023 0.282 3.539) 3.695 17.678 ( 5.031 -5.274 1.966) 7.550 17.763 ( -5.543 -11.823 -10.338) 16.655 18.285 ( 1.342 7.471 -1.176) 7.681 ======================= Grid point 305 (155/250) ======================= q-point: (-0.33 -0.33 0.27) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -13.866 0.000 6.895) 15.486 1.122 ( -13.760 0.000 11.463) 17.909 1.725 ( -14.035 0.000 4.401) 14.709 1.729 ( 5.569 -0.000 3.078) 6.363 2.071 ( 3.533 -0.000 -2.723) 4.461 2.408 ( -1.009 0.000 -0.980) 1.406 2.704 ( -1.248 0.000 0.469) 1.333 3.017 ( -1.266 0.000 0.052) 1.267 3.416 ( 7.323 -0.000 12.732) 14.688 4.577 ( 4.652 -0.000 -5.650) 7.319 5.027 ( 2.844 -0.000 9.216) 9.644 5.326 ( -11.052 0.000 -17.851) 20.996 5.899 ( 2.550 -0.000 -9.580) 9.914 6.050 ( 0.212 -0.000 -12.315) 12.317 6.158 ( 9.488 -0.000 4.041) 10.313 6.887 ( 2.433 -0.000 -0.082) 2.434 7.190 ( -1.091 0.000 0.025) 1.091 7.563 ( -11.511 0.000 5.397) 12.713 7.592 ( -5.198 0.000 -2.128) 5.617 8.077 ( 1.493 -0.000 3.697) 3.987 8.202 ( 4.410 -0.000 3.865) 5.865 8.352 ( 6.913 -0.000 -4.803) 8.418 9.421 ( -2.155 0.000 -2.368) 3.202 10.045 ( 3.668 -0.000 1.279) 3.884 10.225 ( -1.101 0.000 4.934) 5.055 10.663 ( -9.045 0.000 -20.519) 22.424 12.019 ( -5.265 0.000 5.405) 7.545 12.144 ( 8.312 -0.000 0.440) 8.323 16.575 ( 2.850 -0.000 1.274) 3.122 16.602 ( 2.811 -0.000 5.878) 6.515 17.104 ( 1.528 -0.000 2.786) 3.177 17.201 ( -2.552 0.000 -6.294) 6.792 17.367 ( 2.095 -0.000 2.034) 2.921 17.575 ( -8.425 0.000 -10.638) 13.570 17.620 ( -4.360 0.000 4.122) 6.000 18.604 ( 7.571 -0.000 -7.616) 10.739 ======================= Grid point 306 (156/250) ======================= q-point: (-0.22 -0.33 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -13.316 0.993 12.319) 18.168 1.060 ( -9.669 -4.306 12.279) 16.212 1.640 ( -12.549 -3.746 8.746) 15.748 1.829 ( 7.264 -1.676 2.745) 7.944 2.069 ( 4.225 2.857 -2.574) 5.713 2.396 ( -0.717 0.359 -0.682) 1.053 2.681 ( -1.301 0.450 -2.444) 2.805 3.019 ( 0.408 -0.327 -0.119) 0.536 3.577 ( 6.028 -4.209 10.773) 13.043 4.527 ( -4.778 2.013 -6.761) 8.520 5.027 ( -4.585 6.199 -8.952) 11.814 5.188 ( 3.334 -0.988 1.365) 3.735 5.911 ( 4.078 -2.268 -10.246) 11.258 6.068 ( 4.385 -4.161 -8.151) 10.148 6.296 ( 10.703 -1.178 4.524) 11.679 6.916 ( 1.871 -0.633 0.735) 2.108 7.172 ( -1.930 0.453 0.338) 2.011 7.414 ( -12.608 2.955 3.422) 13.395 7.560 ( -9.770 -4.486 1.510) 10.857 8.095 ( -0.064 0.685 1.002) 1.216 8.231 ( 3.535 3.340 5.810) 7.577 8.467 ( 12.668 -2.890 -5.425) 14.081 9.395 ( -1.839 -1.614 -4.990) 5.557 10.062 ( 2.976 2.289 0.897) 3.861 10.242 ( -1.968 -0.707 3.879) 4.407 10.486 ( -7.845 -1.278 -18.869) 20.475 11.949 ( -9.096 2.887 2.339) 9.826 12.198 ( 6.609 2.052 2.816) 7.471 16.496 ( -4.176 5.916 -4.545) 8.550 16.622 ( -0.222 1.655 4.180) 4.501 17.156 ( 5.183 1.093 6.796) 8.616 17.217 ( -1.922 -5.802 -5.137) 7.984 17.443 ( 3.394 -3.621 4.036) 6.397 17.477 ( -5.768 -2.602 -7.004) 9.439 17.603 ( -1.090 0.281 2.523) 2.763 18.584 ( 5.677 6.725 -6.325) 10.838 ======================= Grid point 307 (157/250) ======================= q-point: (-0.11 -0.33 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -11.225 -0.330 12.678) 16.937 1.136 ( -7.039 -6.290 9.653) 13.502 1.683 ( -7.640 -7.442 12.605) 16.512 1.943 ( 6.873 -0.341 2.624) 7.364 2.059 ( 3.560 0.902 -0.271) 3.683 2.371 ( -0.743 1.272 -0.605) 1.593 2.648 ( -0.187 0.233 -5.235) 5.244 3.018 ( 0.816 1.391 0.154) 1.620 3.767 ( 4.981 -6.284 6.233) 10.156 4.368 ( -7.355 6.108 -3.490) 10.178 4.798 ( -4.785 5.787 -13.178) 15.168 5.298 ( 6.329 -1.796 4.115) 7.760 5.984 ( 6.269 -5.278 -9.747) 12.734 6.166 ( 5.453 -3.295 -4.114) 7.584 6.443 ( 9.113 -1.364 4.432) 10.225 6.930 ( -1.327 1.213 -0.269) 1.818 7.150 ( -2.437 -1.703 1.569) 3.361 7.285 ( -9.722 0.517 5.632) 11.247 7.551 ( -8.840 -4.685 1.942) 10.192 8.051 ( -0.719 3.269 -2.487) 4.170 8.247 ( 1.850 1.120 8.456) 8.729 8.597 ( 11.173 -0.053 -7.374) 13.387 9.411 ( 1.921 -3.428 -6.654) 7.727 10.033 ( 0.790 3.478 -1.909) 4.045 10.218 ( -2.046 0.635 -2.726) 3.467 10.436 ( -3.123 -6.693 -8.266) 11.085 11.748 ( -12.244 7.713 1.543) 14.553 12.249 ( 4.361 1.019 5.265) 6.912 16.323 ( -4.633 4.538 -5.097) 8.249 16.604 ( -1.007 2.149 5.340) 5.844 17.186 ( 2.887 2.621 4.285) 5.793 17.255 ( -0.970 -1.010 -2.309) 2.700 17.433 ( -7.919 -7.364 -9.105) 14.136 17.581 ( 1.082 0.262 4.991) 5.114 17.674 ( 7.077 -6.510 2.342) 9.897 18.456 ( 3.161 9.643 -1.092) 10.207 ======================= Grid point 315 (158/250) ======================= q-point: (-0.22 -0.22 0.27) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -11.177 0.000 15.098) 18.785 0.997 ( -4.955 0.000 17.098) 17.801 1.504 ( -14.201 0.000 14.718) 20.453 1.898 ( 6.938 -0.000 1.822) 7.174 2.130 ( 5.996 -0.000 -5.728) 8.292 2.389 ( -0.737 0.000 -1.338) 1.527 2.672 ( 0.167 -0.000 -2.160) 2.167 3.025 ( 1.545 -0.000 0.559) 1.643 3.645 ( 5.082 -0.000 9.297) 10.596 4.460 ( -5.390 0.000 -6.411) 8.376 4.986 ( -5.906 0.000 -16.897) 17.900 5.178 ( 0.013 -0.000 2.883) 2.883 5.952 ( 9.734 -0.000 -4.071) 10.551 6.055 ( 8.893 -0.000 -6.799) 11.194 6.426 ( 11.721 -0.000 4.657) 12.612 6.930 ( 1.415 -0.000 0.876) 1.664 7.143 ( -5.772 0.000 0.435) 5.789 7.342 ( -17.043 0.000 2.715) 17.258 7.406 ( -5.064 0.000 6.369) 8.137 8.102 ( -1.981 0.000 1.961) 2.787 8.335 ( 3.279 -0.000 4.546) 5.606 8.546 ( 14.519 -0.000 -6.276) 15.818 9.338 ( -1.068 0.000 -6.073) 6.166 10.101 ( 0.589 -0.000 -1.280) 1.409 10.234 ( -3.258 0.000 5.945) 6.779 10.317 ( -4.770 0.000 -16.674) 17.342 11.892 ( -9.150 0.000 0.658) 9.174 12.260 ( 1.997 -0.000 -1.322) 2.395 16.458 ( -7.676 0.000 -8.117) 11.172 16.620 ( -4.343 0.000 0.844) 4.424 17.117 ( -1.235 0.000 -2.016) 2.365 17.292 ( 8.869 -0.000 8.273) 12.128 17.381 ( -4.086 0.000 -3.954) 5.686 17.470 ( 4.415 -0.000 5.895) 7.365 17.613 ( 0.522 -0.000 2.348) 2.406 18.685 ( 6.809 -0.000 -7.277) 9.966 ======================= Grid point 316 (159/250) ======================= q-point: (-0.11 -0.22 0.27) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -7.538 2.988 16.303) 18.208 1.054 ( -5.317 -2.367 14.931) 16.026 1.527 ( -8.356 -7.013 19.052) 21.954 1.984 ( 4.934 -1.941 1.596) 5.538 2.138 ( 5.370 3.002 -5.553) 8.287 2.369 ( -1.111 -0.033 -2.653) 2.876 2.662 ( 2.661 1.478 -2.241) 3.780 3.047 ( 1.802 0.291 0.623) 1.929 3.758 ( 3.955 -3.387 6.753) 8.527 4.363 ( -4.592 2.454 -4.477) 6.867 4.798 ( -2.444 6.241 -14.939) 16.373 5.223 ( -4.640 -6.869 -3.174) 8.876 6.030 ( 12.630 1.417 -3.033) 13.066 6.176 ( 9.798 -2.771 -2.522) 10.490 6.561 ( 10.429 0.586 4.928) 11.550 6.933 ( -2.021 1.897 -1.324) 3.072 7.077 ( -5.622 -2.396 2.418) 6.572 7.192 ( -15.596 -1.173 6.323) 16.870 7.450 ( 0.886 -2.350 6.924) 7.365 8.067 ( -3.610 1.268 -0.191) 3.831 8.336 ( 0.323 3.134 5.423) 6.272 8.671 ( 11.509 -0.546 -8.079) 14.072 9.343 ( 2.907 -3.287 -6.840) 8.127 10.058 ( -2.797 2.076 -3.551) 4.974 10.205 ( -1.626 0.712 0.260) 1.794 10.295 ( 1.098 -4.052 -5.365) 6.812 11.743 ( -10.994 5.258 -0.786) 12.212 12.263 ( -1.800 -1.893 -2.304) 3.484 16.318 ( -4.443 3.152 -5.803) 7.960 16.583 ( -5.967 -1.667 -0.127) 6.197 17.144 ( -1.449 -4.632 -2.655) 5.532 17.309 ( -3.535 0.342 -2.250) 4.204 17.354 ( 6.434 6.090 6.503) 10.990 17.624 ( 3.793 -2.662 8.646) 9.810 17.639 ( 3.723 -3.165 -0.067) 4.887 18.649 ( 5.349 7.656 -3.661) 10.032 ======================= Grid point 325 (160/250) ======================= q-point: (-0.11 -0.11 0.27) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -4.634 0.000 15.827) 16.492 1.053 ( -5.881 0.000 16.138) 17.176 1.506 ( -1.699 0.000 23.969) 24.029 2.012 ( 2.910 -0.000 1.241) 3.163 2.194 ( 5.308 -0.000 -7.920) 9.534 2.331 ( -1.713 0.000 -5.017) 5.301 2.711 ( 4.470 -0.000 -0.226) 4.476 3.074 ( 2.200 -0.000 1.167) 2.491 3.788 ( 1.529 -0.000 6.727) 6.899 4.319 ( -3.395 0.000 -5.530) 6.489 4.811 ( 4.073 -0.000 -16.448) 16.944 5.033 ( -10.403 0.000 -6.002) 12.010 6.167 ( 9.690 -0.000 0.572) 9.706 6.262 ( 13.364 -0.000 -2.104) 13.529 6.699 ( 8.995 -0.000 5.284) 10.432 6.949 ( -2.037 0.000 -3.577) 4.117 6.970 ( -6.770 0.000 0.387) 6.781 7.056 ( -11.472 0.000 13.294) 17.559 7.516 ( 6.232 -0.000 9.442) 11.313 8.026 ( -5.938 0.000 -0.147) 5.939 8.366 ( -4.016 0.000 3.672) 5.442 8.741 ( 8.961 -0.000 -8.892) 12.624 9.329 ( 6.275 -0.000 -4.653) 7.812 10.024 ( -3.365 0.000 -4.336) 5.488 10.184 ( -6.690 0.000 5.387) 8.589 10.304 ( 12.830 -0.000 -6.660) 14.456 11.680 ( -10.316 0.000 -1.884) 10.487 12.157 ( -7.967 0.000 -8.473) 11.630 16.295 ( -0.253 0.000 -4.297) 4.304 16.482 ( -7.049 0.000 -2.486) 7.475 17.089 ( -1.031 0.000 -0.349) 1.088 17.264 ( -3.891 0.000 -1.430) 4.145 17.535 ( 6.059 -0.000 4.279) 7.417 17.609 ( 3.229 -0.000 1.567) 3.589 17.704 ( 4.615 -0.000 9.478) 10.542 18.759 ( 6.034 -0.000 -4.943) 7.800 ======================= Grid point 326 (161/250) ======================= q-point: ( 0.00 0.00 0.36) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -2.353 0.000 10.943) 11.193 1.409 ( 0.702 -0.000 12.044) 12.064 1.954 ( -0.537 0.000 -2.554) 2.610 1.965 ( -0.871 0.000 -7.744) 7.793 2.179 ( 3.596 -0.000 3.993) 5.373 2.227 ( 4.562 -0.000 3.840) 5.963 2.821 ( 3.536 -0.000 0.484) 3.569 3.114 ( 2.140 -0.000 -2.579) 3.351 3.947 ( -3.283 0.000 6.185) 7.003 4.009 ( -10.613 0.000 -4.726) 11.618 4.560 ( 11.181 -0.000 -11.274) 15.878 4.679 ( -5.754 0.000 -4.422) 7.257 6.313 ( -2.781 0.000 4.351) 5.164 6.473 ( 6.715 -0.000 0.345) 6.724 6.741 ( -5.195 0.000 0.115) 5.197 6.851 ( 3.049 -0.000 -0.990) 3.205 7.219 ( 11.840 -0.000 6.209) 13.370 7.382 ( 1.098 -0.000 7.957) 8.033 7.844 ( -4.582 0.000 -0.843) 4.659 7.860 ( 5.641 -0.000 3.074) 6.424 8.437 ( -4.232 0.000 7.342) 8.474 8.579 ( -2.034 0.000 -4.621) 5.049 9.461 ( 12.638 -0.000 -2.054) 12.804 9.712 ( -5.909 0.000 -9.759) 11.408 10.161 ( -10.417 0.000 5.486) 11.773 10.571 ( 23.209 -0.000 -5.130) 23.770 11.410 ( -4.676 0.000 -2.767) 5.434 11.555 ( -14.216 0.000 -11.497) 18.283 16.277 ( -5.416 0.000 -1.476) 5.614 16.316 ( 6.314 -0.000 -2.065) 6.643 17.086 ( -0.744 0.000 1.598) 1.763 17.170 ( -3.284 0.000 -0.434) 3.313 17.605 ( 0.737 -0.000 -1.019) 1.257 17.618 ( 1.153 -0.000 -1.482) 1.877 18.178 ( 2.847 -0.000 12.792) 13.105 18.758 ( 4.809 -0.000 -5.340) 7.186 ======================= Grid point 327 (162/250) ======================= q-point: ( 0.11 0.00 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -1.273 -0.195 10.265) 10.345 1.505 ( 5.180 -1.822 10.913) 12.216 1.878 ( -1.175 3.748 -6.365) 7.479 1.954 ( 0.190 -0.553 -3.634) 3.680 2.199 ( 3.650 2.149 2.431) 4.883 2.319 ( 3.109 -1.868 2.472) 4.389 2.841 ( 2.954 1.300 -1.020) 3.384 3.102 ( 0.911 1.652 -3.669) 4.125 3.876 ( -10.616 -1.179 -1.897) 10.848 3.966 ( -10.020 -5.158 6.595) 13.058 4.516 ( 5.582 5.951 -4.166) 9.161 4.757 ( 6.377 -6.794 -9.933) 13.619 6.277 ( -4.976 1.384 4.636) 6.940 6.525 ( 5.004 0.714 -0.143) 5.057 6.704 ( -2.948 -0.955 -0.845) 3.213 6.896 ( 4.971 0.254 0.798) 5.041 7.314 ( 9.692 3.950 6.636) 12.392 7.416 ( -3.460 -0.885 -1.864) 4.029 7.834 ( 2.854 -0.284 3.124) 4.241 7.911 ( 4.195 0.716 0.469) 4.282 8.413 ( -5.200 1.678 6.812) 8.732 8.519 ( -4.625 0.491 -1.953) 5.045 9.540 ( 6.956 2.075 -2.617) 7.716 9.648 ( -0.519 -2.347 -10.078) 10.360 10.086 ( -8.779 -0.563 4.360) 9.818 10.771 ( 21.702 1.285 -5.590) 22.447 11.305 ( -5.754 1.301 -0.298) 5.907 11.518 ( -7.587 -10.308 -7.629) 14.901 16.227 ( -4.448 -0.644 -1.009) 4.606 16.364 ( 4.434 -0.022 -2.411) 5.047 17.094 ( -0.522 -0.461 1.777) 1.909 17.147 ( -2.395 -1.180 -0.162) 2.675 17.602 ( 3.063 0.956 -0.449) 3.241 17.633 ( -0.620 -0.988 -2.087) 2.391 18.219 ( 1.851 3.644 11.568) 12.269 18.736 ( 2.153 3.928 -6.792) 8.137 ======================= Grid point 328 (163/250) ======================= q-point: ( 0.22 0.00 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -1.013 -1.224 8.770) 8.913 1.664 ( 8.917 -1.728 7.184) 11.580 1.752 ( -2.648 5.126 -1.205) 5.894 1.953 ( 1.132 0.456 -0.593) 1.357 2.215 ( 2.901 0.724 1.000) 3.153 2.351 ( 1.075 0.605 -2.746) 3.010 2.828 ( 1.397 2.016 -2.288) 3.354 3.045 ( -0.131 3.019 -4.767) 5.644 3.805 ( -9.922 -4.066 -2.732) 11.065 4.001 ( -11.418 -7.623 7.912) 15.845 4.485 ( 3.368 2.206 2.021) 4.505 4.895 ( 11.863 -3.643 -11.077) 16.634 6.221 ( -4.090 1.903 4.879) 6.645 6.548 ( 3.993 1.968 -1.344) 4.650 6.698 ( -2.914 -2.129 -1.588) 3.942 6.926 ( 4.604 3.452 1.220) 5.882 7.325 ( -5.462 1.988 -4.732) 7.494 7.373 ( 8.105 2.426 4.529) 9.597 7.846 ( -1.648 2.749 -2.738) 4.215 7.975 ( 5.960 -2.159 0.839) 6.394 8.347 ( -2.352 3.002 6.809) 7.804 8.460 ( -6.198 0.343 1.769) 6.455 9.527 ( -0.925 0.067 -5.131) 5.214 9.669 ( 4.100 -1.377 -6.773) 8.036 10.051 ( -3.687 -1.242 1.950) 4.352 10.905 ( 18.803 4.308 -7.985) 20.877 11.296 ( -6.353 -5.806 5.193) 10.051 11.635 ( -1.547 -10.993 -1.940) 11.269 16.196 ( -3.483 -0.962 -0.927) 3.731 16.389 ( 1.920 -0.404 -1.606) 2.536 17.099 ( -2.231 -1.007 1.854) 3.071 17.166 ( 0.351 -1.819 0.323) 1.881 17.603 ( 0.406 1.606 -1.607) 2.308 17.648 ( 2.729 -1.297 -0.677) 3.096 18.213 ( 1.307 4.332 9.711) 10.714 18.602 ( -0.648 8.120 -8.636) 11.872 ======================= Grid point 329 (164/250) ======================= q-point: ( 0.33 0.00 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -2.401 -1.801 5.582) 6.338 1.568 ( -3.458 8.137 -0.038) 8.841 1.868 ( 10.006 -2.304 8.034) 13.037 1.952 ( 1.462 2.006 3.514) 4.302 2.229 ( -0.762 0.106 -1.045) 1.298 2.323 ( 2.570 0.582 -5.715) 6.293 2.763 ( -3.606 3.237 -3.339) 5.884 2.972 ( 0.960 2.750 -4.388) 5.266 3.786 ( -6.930 -5.273 -3.975) 9.572 4.056 ( -9.960 -7.471 5.694) 13.691 4.528 ( 0.811 -1.826 8.271) 8.509 5.031 ( 15.245 -1.352 -9.001) 17.755 6.178 ( -1.894 1.754 4.321) 5.033 6.508 ( 1.591 4.968 -5.351) 7.473 6.688 ( -2.774 -0.111 -2.269) 3.585 6.862 ( -0.180 4.783 -2.180) 5.259 7.264 ( 0.201 0.953 2.105) 2.319 7.442 ( 6.716 0.047 1.941) 6.991 7.713 ( -6.687 3.945 -4.605) 9.027 8.039 ( -1.038 -1.694 -4.241) 4.683 8.352 ( 2.080 1.252 8.233) 8.583 8.405 ( -2.122 1.125 3.870) 4.555 9.482 ( -2.720 -0.002 -6.125) 6.702 9.712 ( 2.571 -2.446 -3.906) 5.278 10.064 ( 0.663 -1.385 -1.031) 1.849 10.921 ( 14.011 8.258 -11.177) 19.734 11.386 ( -9.051 -9.388 6.607) 14.618 11.853 ( 4.951 -10.584 6.820) 13.529 16.179 ( -2.428 -1.020 -1.216) 2.900 16.418 ( 0.897 -1.939 0.948) 2.337 17.108 ( -2.641 -2.036 1.929) 3.853 17.204 ( 0.933 -1.152 1.218) 1.918 17.564 ( -0.737 1.402 -1.409) 2.120 17.705 ( 4.126 -1.192 -1.026) 4.415 18.157 ( -3.690 5.614 0.817) 6.768 18.404 ( 1.697 9.247 -4.095) 10.255 ======================= Grid point 330 (165/250) ======================= q-point: (-0.56 0.00 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -5.361 3.365 -0.235) 6.334 1.419 ( -4.321 4.442 6.472) 8.960 1.947 ( 1.265 2.064 5.929) 6.404 2.008 ( 7.047 0.801 3.099) 7.740 2.197 ( -0.282 -0.618 -1.884) 2.003 2.359 ( 4.749 -0.908 -1.684) 5.120 2.619 ( -7.702 4.028 -4.151) 9.632 2.938 ( 1.657 0.970 -3.210) 3.740 3.801 ( -2.666 -4.471 -5.784) 7.781 4.098 ( -7.808 -5.612 3.320) 10.173 4.617 ( -1.583 -3.119 10.291) 10.869 5.184 ( 15.573 -1.532 -3.239) 15.980 6.155 ( 0.194 2.123 1.360) 2.529 6.342 ( -1.580 8.876 -11.003) 14.225 6.620 ( -0.586 3.577 0.083) 3.626 6.810 ( -2.105 -1.101 -3.456) 4.194 7.283 ( 2.527 1.319 5.921) 6.572 7.489 ( 0.524 2.260 1.313) 2.666 7.615 ( 0.200 -1.198 -2.037) 2.371 7.961 ( -10.468 0.348 -5.675) 11.913 8.381 ( 3.242 -0.427 -0.717) 3.348 8.441 ( 3.241 1.124 10.914) 11.441 9.424 ( -0.374 1.165 -7.415) 7.515 9.770 ( -0.416 -4.196 -1.564) 4.497 10.091 ( 2.429 -0.721 -3.138) 4.034 10.816 ( 7.129 10.263 -10.293) 16.189 11.469 ( -10.056 -8.474 4.235) 13.815 12.131 ( 7.328 -8.180 10.954) 15.512 16.168 ( -1.680 -0.980 -1.839) 2.677 16.496 ( 1.779 -4.106 4.960) 6.681 17.131 ( -2.520 -2.560 1.775) 4.007 17.227 ( 0.008 0.005 1.873) 1.873 17.535 ( -0.705 0.242 -2.306) 2.424 17.747 ( 2.362 0.291 -2.578) 3.508 17.924 ( -6.923 9.247 -9.469) 14.936 18.340 ( 5.526 4.161 5.120) 8.606 ======================= Grid point 331 (166/250) ======================= q-point: (-0.44 0.00 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -4.632 4.931 8.149) 10.592 1.327 ( -6.371 1.884 1.673) 6.851 1.956 ( 1.255 1.343 2.793) 3.344 2.008 ( -1.268 1.788 1.914) 2.910 2.264 ( 6.706 -1.050 2.723) 7.314 2.390 ( -0.879 2.799 5.131) 5.911 2.471 ( -2.647 0.691 -8.938) 9.347 2.941 ( 1.289 -1.082 -2.570) 3.072 3.830 ( 1.971 -2.550 -6.714) 7.447 4.123 ( -6.081 -4.263 1.988) 7.688 4.661 ( -3.381 0.080 6.568) 7.388 5.364 ( 9.285 -2.753 3.838) 10.417 6.022 ( 1.210 9.233 -15.005) 17.659 6.224 ( 1.873 1.513 2.046) 3.160 6.586 ( 3.266 2.202 1.741) 4.306 6.792 ( -4.282 -2.322 -3.983) 6.292 7.317 ( 2.271 0.821 5.882) 6.358 7.431 ( 0.468 4.326 3.321) 5.473 7.662 ( -2.197 -0.717 1.337) 2.669 7.829 ( -7.179 -2.170 -6.324) 9.810 8.424 ( 1.459 -1.929 -2.409) 3.414 8.497 ( 3.815 1.839 9.580) 10.475 9.369 ( 2.898 2.567 -8.544) 9.380 9.829 ( -2.974 -4.998 -0.693) 5.857 10.109 ( 3.776 0.343 -4.261) 5.704 10.645 ( 1.096 9.415 -5.964) 11.199 11.509 ( -9.621 -6.261 2.008) 11.653 12.337 ( 4.204 -2.882 7.380) 8.969 16.163 ( -0.905 -0.995 -2.070) 2.468 16.623 ( 1.078 -4.233 7.045) 8.289 17.160 ( -1.161 -2.544 1.876) 3.367 17.225 ( -0.691 0.152 0.375) 0.801 17.473 ( -4.605 3.712 -8.355) 10.236 17.646 ( -1.260 3.905 -1.375) 4.328 17.805 ( 1.676 0.980 -2.837) 3.438 18.382 ( 5.603 0.606 5.288) 7.728 ======================= Grid point 332 (167/250) ======================= q-point: (-0.33 0.00 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -4.143 1.942 13.653) 14.399 1.278 ( -3.666 -0.935 5.136) 6.379 1.923 ( -2.251 2.338 1.697) 3.663 1.990 ( -1.129 -0.370 0.132) 1.195 2.272 ( -1.342 6.241 6.169) 8.877 2.340 ( -0.213 1.097 -0.923) 1.449 2.503 ( 6.539 -3.511 -3.490) 8.202 2.978 ( 1.999 -2.363 -2.275) 3.841 3.869 ( 5.878 -0.472 -5.823) 8.288 4.146 ( -4.188 -4.093 0.263) 5.862 4.603 ( -5.340 3.191 2.073) 6.557 5.383 ( -6.397 5.006 -2.617) 8.534 5.943 ( 13.262 0.407 -5.393) 14.322 6.255 ( 3.794 0.405 3.374) 5.093 6.629 ( 6.303 -0.257 2.860) 6.926 6.771 ( -4.818 -2.788 -3.428) 6.537 7.304 ( -2.874 4.997 3.889) 6.954 7.402 ( 0.586 2.110 6.338) 6.706 7.598 ( -2.418 1.047 1.953) 3.280 7.860 ( -1.123 -5.552 -4.475) 7.218 8.448 ( -1.675 -1.672 0.539) 2.427 8.546 ( 4.351 1.082 4.401) 6.283 9.315 ( 4.594 3.603 -8.543) 10.347 9.874 ( -3.629 -4.505 -1.299) 5.929 10.126 ( 6.445 1.020 -4.501) 7.926 10.481 ( -2.713 6.409 -0.740) 6.999 11.509 ( -8.931 -4.379 -0.047) 9.947 12.358 ( -2.159 3.631 -0.508) 4.254 16.169 ( 0.598 -1.053 -1.735) 2.116 16.649 ( -5.672 1.571 0.411) 5.900 17.202 ( -0.750 1.268 -2.820) 3.181 17.253 ( 2.719 -4.364 3.383) 6.155 17.328 ( -1.389 2.148 -0.114) 2.560 17.653 ( 2.181 -1.616 3.121) 4.137 17.787 ( -0.157 0.823 -2.322) 2.468 18.475 ( 5.665 -2.201 3.359) 6.944 ======================= Grid point 333 (168/250) ======================= q-point: (-0.22 0.00 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -3.240 -0.520 13.955) 14.336 1.318 ( -1.849 -1.883 10.805) 11.122 1.885 ( -2.595 0.241 6.497) 7.001 1.986 ( -0.745 -1.625 -5.085) 5.390 2.190 ( -0.373 4.379 2.854) 5.240 2.280 ( 0.565 4.129 -2.283) 4.752 2.639 ( 6.386 -3.956 0.931) 7.570 3.035 ( 2.891 -2.201 -2.222) 4.259 3.911 ( 6.711 1.117 -2.674) 7.310 4.179 ( -1.972 -3.367 -2.974) 4.906 4.488 ( -6.221 2.029 -1.153) 6.645 5.132 ( -8.563 9.091 -8.951) 15.365 6.127 ( 11.711 -3.930 3.271) 12.778 6.310 ( 5.207 0.355 3.099) 6.069 6.738 ( 2.868 -2.848 3.891) 5.610 6.773 ( 1.781 -2.718 -2.466) 4.079 7.151 ( -7.073 6.004 1.387) 9.381 7.387 ( -0.872 3.419 9.603) 10.231 7.649 ( 6.609 -1.261 3.934) 7.794 7.903 ( -4.412 -4.519 -3.674) 7.306 8.458 ( -2.839 -0.968 3.539) 4.639 8.583 ( 2.811 -0.091 -0.804) 2.925 9.282 ( 7.151 2.515 -6.052) 9.700 9.884 ( -4.398 -2.399 -4.391) 6.662 10.183 ( 10.126 0.071 -2.362) 10.398 10.365 ( -3.276 3.736 1.892) 5.317 11.482 ( -8.306 -3.440 -2.146) 9.243 12.171 ( -8.706 8.596 -7.991) 14.613 16.198 ( 2.853 -1.055 -1.331) 3.321 16.509 ( -7.339 3.925 -3.687) 9.103 17.145 ( -1.630 2.099 -0.803) 2.776 17.249 ( -2.509 0.517 -0.398) 2.592 17.453 ( 5.040 -4.335 4.217) 7.873 17.708 ( 3.346 2.818 -1.756) 4.714 17.820 ( 0.973 -6.749 8.936) 11.241 18.593 ( 5.761 -3.394 0.019) 6.686 ======================= Grid point 334 (169/250) ======================= q-point: (-0.11 0.00 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -3.048 -0.597 12.029) 12.423 1.368 ( -1.766 0.192 12.337) 12.464 1.928 ( -1.050 -2.793 5.554) 6.305 1.989 ( -0.399 -1.844 -4.987) 5.332 2.137 ( 2.061 1.958 -2.397) 3.719 2.223 ( 2.657 3.925 2.226) 5.237 2.757 ( 4.716 -2.151 1.452) 5.383 3.086 ( 2.947 -1.286 -2.214) 3.904 3.939 ( 2.981 1.128 1.764) 3.643 4.142 ( -6.043 1.531 -4.598) 7.746 4.463 ( 1.075 -4.710 -5.857) 7.592 4.862 ( -6.262 8.120 -8.182) 13.118 6.280 ( 2.681 -2.251 4.564) 5.752 6.385 ( 8.235 -0.110 1.498) 8.371 6.767 ( -3.967 -2.650 0.752) 4.830 6.863 ( 2.031 0.750 -1.632) 2.711 7.065 ( 5.210 0.131 5.548) 7.612 7.367 ( 0.547 3.500 10.242) 10.838 7.766 ( 7.044 -1.177 4.685) 8.541 7.892 ( -6.372 -2.427 -2.698) 7.333 8.451 ( -3.797 0.090 5.529) 6.708 8.597 ( 0.463 -0.822 -4.120) 4.227 9.338 ( 11.277 -0.172 -3.027) 11.677 9.821 ( -5.869 0.144 -7.805) 9.767 10.236 ( -7.805 -0.278 5.686) 9.660 10.371 ( 18.821 1.095 -4.341) 19.346 11.446 ( -7.374 -3.373 -3.729) 8.925 11.850 ( -12.902 9.079 -11.509) 19.528 16.251 ( 4.900 -0.985 -1.393) 5.188 16.368 ( -5.758 2.472 -2.749) 6.843 17.101 ( -1.515 1.085 1.030) 2.130 17.210 ( -2.956 0.463 -0.664) 3.064 17.557 ( 2.174 -2.748 0.533) 3.544 17.658 ( 0.584 2.974 -2.401) 3.866 18.031 ( 4.579 -5.473 13.656) 15.408 18.699 ( 5.719 -2.552 -3.456) 7.153 ======================= Grid point 336 (170/250) ======================= q-point: ( 0.11 0.11 0.36) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.861 0.000 10.416) 10.452 1.598 ( 8.024 -0.000 8.949) 12.020 1.886 ( -0.379 0.000 -5.402) 5.416 1.926 ( 2.771 -0.000 -7.700) 8.183 2.269 ( 1.930 -0.000 2.454) 3.122 2.349 ( 3.643 -0.000 1.673) 4.009 2.869 ( 1.934 -0.000 -1.944) 2.742 3.100 ( -0.735 0.000 -4.408) 4.469 3.731 ( -12.337 0.000 -1.408) 12.417 3.837 ( -14.281 0.000 12.271) 18.829 4.571 ( -2.029 0.000 -2.334) 3.092 4.788 ( 20.395 -0.000 -12.996) 24.184 6.255 ( -5.435 0.000 5.158) 7.493 6.578 ( 4.616 -0.000 -0.718) 4.672 6.648 ( -4.171 0.000 -2.537) 4.882 6.979 ( 8.111 -0.000 2.333) 8.440 7.329 ( -7.008 0.000 -5.740) 9.059 7.486 ( 8.708 -0.000 5.270) 10.179 7.891 ( 5.700 -0.000 2.074) 6.066 7.934 ( -0.499 0.000 -1.258) 1.353 8.413 ( -5.079 0.000 9.239) 10.543 8.464 ( -5.282 0.000 -0.801) 5.342 9.542 ( 0.051 -0.000 -12.569) 12.569 9.634 ( 2.763 -0.000 -0.838) 2.887 10.031 ( -3.246 0.000 2.836) 4.310 10.963 ( 14.895 -0.000 -0.161) 14.896 11.238 ( -2.945 0.000 -14.074) 14.379 11.379 ( 1.290 -0.000 4.550) 4.729 16.179 ( -3.107 0.000 -0.501) 3.147 16.385 ( 1.571 -0.000 -2.552) 2.997 17.105 ( -2.733 0.000 0.151) 2.737 17.106 ( 0.985 -0.000 2.251) 2.457 17.612 ( -0.888 0.000 -0.923) 1.281 17.649 ( 5.257 -0.000 -1.223) 5.397 18.296 ( -1.292 0.000 9.245) 9.335 18.754 ( 0.745 -0.000 -8.763) 8.795 ======================= Grid point 337 (171/250) ======================= q-point: ( 0.22 0.11 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -1.041 0.341 9.354) 9.417 1.751 ( 9.672 -2.338 6.233) 11.742 1.821 ( 0.558 4.438 -2.342) 5.049 1.944 ( 3.516 -1.513 -6.594) 7.625 2.272 ( 0.582 1.790 1.384) 2.336 2.370 ( 1.861 1.081 -2.501) 3.299 2.860 ( 0.404 1.846 -2.416) 3.068 3.050 ( -2.173 1.242 -5.066) 5.651 3.634 ( -9.934 -2.566 0.564) 10.275 3.792 ( -14.821 -5.518 13.518) 20.805 4.540 ( 0.886 1.201 -0.455) 1.561 4.966 ( 20.546 -1.781 -12.571) 24.153 6.222 ( -4.008 0.690 5.258) 6.648 6.590 ( -3.460 -0.140 -3.614) 5.005 6.622 ( 2.115 -0.718 -1.532) 2.708 7.039 ( 2.788 2.946 0.177) 4.059 7.240 ( -2.149 -0.918 -5.781) 6.235 7.552 ( 7.146 3.723 4.662) 9.309 7.847 ( -6.252 3.416 -3.906) 8.125 7.967 ( 0.507 -2.547 -2.739) 3.774 8.396 ( -2.260 1.064 8.378) 8.742 8.427 ( -2.904 0.164 4.453) 5.318 9.496 ( 1.668 0.850 -10.323) 10.491 9.635 ( -2.541 -1.728 -1.956) 3.642 10.044 ( 3.067 -0.062 0.581) 3.122 11.080 ( 1.533 -2.371 9.830) 10.227 11.190 ( 10.144 1.998 -19.615) 22.173 11.507 ( 4.814 -7.284 6.906) 11.132 16.157 ( -1.517 -0.306 -0.294) 1.575 16.379 ( -1.090 -0.440 -1.376) 1.810 17.077 ( -2.097 0.187 1.144) 2.396 17.148 ( 1.422 -1.650 1.771) 2.807 17.593 ( -2.184 0.105 -0.986) 2.398 17.704 ( 7.669 0.710 -1.118) 7.783 18.290 ( -3.319 2.014 6.767) 7.801 18.667 ( -1.180 4.498 -10.282) 11.284 ======================= Grid point 338 (172/250) ======================= q-point: ( 0.33 0.11 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -2.516 0.524 6.124) 6.642 1.701 ( 0.734 8.027 0.490) 8.075 1.938 ( 6.493 -3.428 5.155) 8.971 1.990 ( 6.001 -1.325 -2.759) 6.736 2.219 ( -3.455 2.395 -3.320) 5.357 2.354 ( 3.272 1.095 -2.866) 4.485 2.772 ( -4.957 4.330 -2.499) 7.040 2.991 ( -0.558 1.225 -4.274) 4.481 3.622 ( -5.344 -4.630 0.605) 7.096 3.838 ( -11.563 -8.471 11.506) 18.381 4.555 ( 2.360 -0.274 3.863) 4.535 5.146 ( 19.535 -1.147 -10.792) 22.347 6.197 ( -2.348 0.839 4.151) 4.843 6.523 ( -5.424 0.423 -6.351) 8.363 6.647 ( 2.078 -0.141 -2.026) 2.905 6.908 ( -6.807 4.967 -7.022) 10.968 7.297 ( 6.916 -0.710 2.858) 7.517 7.563 ( 5.073 3.827 2.548) 6.847 7.678 ( -8.533 3.240 -3.697) 9.847 7.949 ( -6.971 -1.354 -5.806) 9.173 8.390 ( -2.075 0.683 3.767) 4.354 8.460 ( 3.274 0.043 9.080) 9.652 9.453 ( 1.053 1.145 -5.757) 5.964 9.644 ( -1.513 -3.224 -4.586) 5.806 10.083 ( 4.718 0.303 -1.085) 4.851 11.145 ( 10.450 6.058 -20.291) 23.614 11.189 ( -2.683 -5.248 11.627) 13.036 11.775 ( 7.728 -10.717 11.456) 17.487 16.151 ( -0.197 -0.146 -0.465) 0.525 16.384 ( -1.300 -2.181 1.514) 2.956 17.067 ( -2.047 -0.740 1.746) 2.791 17.200 ( 1.369 -1.474 1.861) 2.741 17.556 ( -2.699 0.500 -1.415) 3.088 17.764 ( 7.996 1.220 -1.281) 8.190 18.197 ( -6.653 5.424 -0.908) 8.632 18.522 ( -0.333 5.273 -6.352) 8.263 ======================= Grid point 339 (173/250) ======================= q-point: ( 0.44 0.11 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -4.252 1.559 1.576) 4.795 1.563 ( -0.283 9.546 5.061) 10.809 2.003 ( 0.631 0.151 3.336) 3.399 2.054 ( -0.946 1.388 -4.271) 4.590 2.172 ( 3.174 -2.852 -0.210) 4.272 2.388 ( 5.551 -0.833 -2.531) 6.157 2.611 ( -7.185 5.124 -1.401) 8.936 2.951 ( -0.026 1.169 -3.273) 3.475 3.680 ( -0.411 -5.104 -0.824) 5.186 3.930 ( -7.048 -7.619 7.573) 12.848 4.624 ( 2.079 -1.344 7.947) 8.324 5.305 ( 15.722 -0.679 -6.671) 17.092 6.180 ( -0.854 0.718 -0.010) 1.116 6.383 ( -5.665 4.854 -10.001) 12.477 6.646 ( 1.103 0.899 -1.798) 2.293 6.749 ( -6.767 0.932 -5.499) 8.769 7.355 ( 1.689 2.011 5.036) 5.680 7.571 ( 3.476 -1.156 -2.313) 4.332 7.588 ( 0.219 2.464 3.799) 4.534 7.834 ( -10.371 0.732 -5.822) 11.916 8.374 ( -2.126 -0.497 -0.445) 2.228 8.538 ( 3.295 0.241 9.258) 9.830 9.435 ( 4.455 1.356 -5.811) 7.447 9.669 ( -2.425 -3.933 -2.942) 5.477 10.117 ( 4.400 0.415 -2.122) 4.902 11.005 ( 5.387 9.424 -17.651) 20.722 11.297 ( -3.662 -4.983 10.298) 12.012 12.099 ( 7.393 -10.081 12.355) 17.577 16.150 ( 0.529 0.151 -0.834) 0.999 16.455 ( 0.655 -4.574 5.538) 7.212 17.076 ( -2.121 -1.747 2.144) 3.485 17.233 ( -0.019 -0.288 1.857) 1.880 17.512 ( -2.622 0.378 -2.892) 3.922 17.804 ( 6.371 2.346 -2.230) 7.147 17.966 ( -7.265 8.512 -7.799) 13.640 18.448 ( 1.033 2.387 -0.321) 2.621 ======================= Grid point 340 (174/250) ======================= q-point: (-0.44 0.11 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -3.420 1.571 0.528) 3.800 1.411 ( -1.969 9.351 7.550) 12.179 1.969 ( -3.718 0.835 -2.189) 4.394 2.007 ( -4.214 0.451 3.572) 5.542 2.282 ( 3.147 -3.247 2.538) 5.186 2.446 ( 4.560 0.195 -7.522) 8.798 2.468 ( -1.137 3.797 2.807) 4.857 2.926 ( 0.154 -0.099 -2.823) 2.828 3.774 ( 4.061 -4.411 -2.682) 6.569 4.012 ( -3.447 -4.771 4.631) 7.490 4.684 ( 0.120 0.784 7.666) 7.707 5.415 ( 5.085 -0.583 -1.098) 5.234 6.096 ( 1.858 5.356 -16.644) 17.583 6.257 ( -1.453 0.726 2.931) 3.351 6.644 ( 3.019 0.718 -0.717) 3.185 6.677 ( -6.706 -2.420 -3.425) 7.909 7.351 ( -1.627 0.536 4.888) 5.180 7.566 ( 2.733 3.441 3.452) 5.588 7.639 ( -1.056 0.176 0.569) 1.212 7.707 ( -2.326 -1.056 -4.421) 5.106 8.361 ( -3.800 -2.350 -2.529) 5.134 8.595 ( 2.036 0.793 7.741) 8.044 9.432 ( 7.634 2.880 -8.456) 11.750 9.707 ( -3.411 -4.679 0.097) 5.792 10.143 ( 4.204 0.287 -2.461) 4.880 10.791 ( 0.617 10.283 -12.587) 16.265 11.372 ( -4.169 -3.268 8.798) 10.270 12.338 ( 2.918 -5.026 7.647) 9.605 16.154 ( 1.572 0.101 -0.720) 1.732 16.583 ( 0.250 -4.663 7.179) 8.564 17.108 ( -1.121 -3.092 3.134) 4.543 17.225 ( -0.961 0.686 -0.375) 1.239 17.446 ( -3.607 1.970 -5.596) 6.943 17.709 ( -2.599 6.026 -2.512) 7.027 17.844 ( 4.265 2.359 -3.708) 6.124 18.442 ( 1.187 -0.132 0.733) 1.402 ======================= Grid point 341 (175/250) ======================= q-point: (-0.33 0.11 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -0.352 -0.441 3.614) 3.657 1.301 ( -1.161 5.844 11.984) 13.384 1.919 ( -3.958 -0.236 -0.750) 4.036 1.950 ( -7.066 0.664 2.791) 7.626 2.298 ( -4.105 1.247 1.930) 4.704 2.416 ( 1.688 3.035 1.387) 3.739 2.522 ( 9.997 -1.879 -4.879) 11.282 2.943 ( 1.421 -2.345 -2.801) 3.919 3.889 ( 8.690 -3.111 -4.782) 10.395 4.063 ( -2.399 -2.443 3.537) 4.922 4.645 ( -3.164 4.984 3.973) 7.116 5.362 ( -9.127 3.483 -3.521) 10.385 6.039 ( 9.887 -0.050 -8.975) 13.353 6.288 ( 1.798 -1.300 3.617) 4.243 6.650 ( -3.807 -2.977 -1.795) 5.155 6.696 ( 5.038 -1.191 0.880) 5.251 7.300 ( -10.104 2.175 5.242) 11.589 7.546 ( 3.503 4.344 2.604) 6.158 7.608 ( 4.433 -0.476 -2.532) 5.128 7.762 ( 1.009 -2.418 0.844) 2.753 8.359 ( -4.711 -3.825 -2.261) 6.476 8.620 ( 0.447 1.175 5.171) 5.322 9.409 ( 7.891 4.254 -8.625) 12.440 9.758 ( -2.708 -4.448 -0.336) 5.218 10.179 ( 4.807 -0.285 -1.339) 4.998 10.576 ( -1.062 8.313 -7.220) 11.061 11.403 ( -4.522 -1.247 7.282) 8.662 12.377 ( -3.777 2.158 -0.173) 4.353 16.176 ( 3.200 -0.190 -0.359) 3.226 16.610 ( -6.204 0.889 0.708) 6.307 17.196 ( -0.585 -0.068 -1.913) 2.001 17.223 ( 3.297 -4.358 4.154) 6.864 17.351 ( -0.964 1.679 0.328) 1.963 17.647 ( -1.676 -0.581 2.953) 3.445 17.823 ( 3.983 3.194 -4.307) 6.680 18.483 ( 1.355 -2.802 0.068) 3.114 ======================= Grid point 342 (176/250) ======================= q-point: (-0.22 0.11 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -0.134 2.505 10.887) 11.172 1.335 ( 2.381 -1.801 11.228) 11.618 1.876 ( -5.694 0.257 3.644) 6.765 1.904 ( -3.904 -2.508 -1.189) 4.790 2.237 ( -1.016 2.742 -1.746) 3.406 2.361 ( 0.172 3.650 0.189) 3.659 2.655 ( 8.436 -2.932 -1.039) 8.991 3.000 ( 2.228 -3.316 -3.178) 5.105 3.997 ( 9.966 1.003 -4.970) 11.181 4.093 ( -2.017 -3.617 0.865) 4.231 4.501 ( -6.356 6.428 2.131) 9.287 5.138 ( -9.480 6.432 -7.784) 13.851 6.157 ( 5.313 -4.204 0.787) 6.820 6.360 ( 4.985 -1.390 2.101) 5.585 6.674 ( -1.256 -2.978 0.410) 3.258 6.802 ( 7.432 -2.669 0.964) 7.956 7.155 ( -9.237 3.614 4.702) 10.977 7.514 ( 1.807 3.718 1.953) 4.572 7.703 ( 8.458 -2.071 0.172) 8.710 7.796 ( -1.057 -1.423 0.895) 1.986 8.376 ( -4.842 -4.336 -0.233) 6.504 8.608 ( -1.746 1.273 2.025) 2.961 9.391 ( 8.883 3.413 -5.576) 11.029 9.783 ( -2.850 -2.534 -4.439) 5.852 10.225 ( -0.587 -0.411 2.717) 2.810 10.455 ( 7.314 4.084 -5.664) 10.112 11.390 ( -4.822 0.330 5.505) 7.326 12.194 ( -9.451 8.489 -7.169) 14.587 16.222 ( 4.497 -0.545 -0.288) 4.539 16.481 ( -7.209 3.430 -3.362) 8.663 17.160 ( -0.737 1.771 -1.916) 2.711 17.236 ( -2.552 0.989 0.446) 2.773 17.466 ( 5.962 -3.065 4.916) 8.313 17.709 ( -3.412 -4.979 3.075) 6.774 17.805 ( 6.847 0.408 2.649) 7.353 18.562 ( 1.604 -4.773 -1.818) 5.354 ======================= Grid point 343 (177/250) ======================= q-point: (-0.11 0.11 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.042 1.123 10.691) 10.800 1.436 ( 3.504 0.435 11.836) 12.351 1.857 ( -3.613 -3.401 -3.060) 5.830 1.935 ( -1.204 -2.724 3.977) 4.968 2.173 ( 1.757 2.326 -4.460) 5.328 2.322 ( 1.695 2.555 2.099) 3.715 2.770 ( 5.238 -2.411 -0.341) 5.776 3.063 ( 1.956 -2.862 -3.426) 4.874 3.982 ( -2.564 2.518 -0.184) 3.599 4.115 ( -1.914 2.577 -3.199) 4.532 4.399 ( 0.331 -1.320 0.377) 1.413 4.912 ( -3.621 7.071 -8.697) 11.779 6.254 ( -1.671 -3.321 3.959) 5.431 6.450 ( 6.136 -1.254 0.639) 6.295 6.716 ( -0.024 -1.466 1.311) 1.967 6.881 ( 0.853 0.200 -1.606) 1.830 7.127 ( 5.333 -1.932 7.815) 9.657 7.471 ( -0.809 2.432 0.440) 2.600 7.808 ( -0.440 -0.689 2.900) 3.013 7.826 ( 7.273 -1.623 0.264) 7.456 8.400 ( -5.103 -3.467 2.801) 6.775 8.566 ( -3.477 0.567 -0.504) 3.558 9.438 ( 10.229 0.429 -2.595) 10.562 9.741 ( -3.183 0.298 -8.635) 9.207 10.174 ( -9.191 0.846 4.806) 10.406 10.557 ( 19.781 -0.660 -5.783) 20.619 11.349 ( -5.101 0.638 3.398) 6.163 11.862 ( -11.432 11.620 -10.218) 19.239 16.269 ( 1.305 -0.407 -0.798) 1.583 16.359 ( -1.681 2.302 -2.882) 4.053 17.116 ( -1.030 1.612 0.583) 1.999 17.193 ( -2.434 1.123 -0.277) 2.695 17.552 ( 2.988 -1.298 0.945) 3.393 17.681 ( -1.529 1.570 -3.390) 4.037 18.022 ( 5.776 -7.581 13.324) 16.381 18.656 ( 1.964 -5.312 -4.504) 7.236 ======================= Grid point 346 (178/250) ======================= q-point: ( 0.22 0.22 0.36) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -1.653 0.000 9.093) 9.242 1.844 ( 7.943 -0.000 2.992) 8.488 1.879 ( 2.370 -0.000 -0.056) 2.371 1.934 ( 5.352 -0.000 -7.426) 9.154 2.287 ( -1.313 0.000 -0.646) 1.463 2.382 ( 0.937 -0.000 -4.500) 4.596 2.877 ( 0.482 -0.000 -1.887) 1.948 2.995 ( -5.061 0.000 -5.229) 7.277 3.536 ( -6.083 0.000 3.629) 7.083 3.655 ( -14.542 0.000 16.445) 21.953 4.561 ( 2.814 -0.000 -0.884) 2.949 5.118 ( 22.025 -0.000 -12.561) 25.355 6.214 ( -3.149 0.000 4.330) 5.354 6.497 ( -7.281 0.000 -4.018) 8.317 6.655 ( 3.617 -0.000 -1.941) 4.105 7.001 ( -9.557 0.000 -9.141) 13.225 7.279 ( 11.179 -0.000 1.399) 11.266 7.666 ( 4.825 -0.000 3.015) 5.689 7.783 ( -12.095 0.000 -0.268) 12.098 7.876 ( -5.711 0.000 -9.845) 11.381 8.405 ( -3.500 0.000 6.814) 7.661 8.458 ( 2.360 -0.000 7.130) 7.510 9.507 ( 7.652 -0.000 -12.865) 14.969 9.556 ( -7.498 0.000 2.053) 7.774 10.094 ( 5.593 -0.000 -0.516) 5.617 11.042 ( -4.532 0.000 8.429) 9.570 11.315 ( 18.160 -0.000 -19.045) 26.315 11.541 ( 6.743 -0.000 11.580) 13.400 16.150 ( 0.607 -0.000 0.325) 0.688 16.347 ( -2.984 0.000 -0.178) 2.989 17.067 ( -1.121 0.000 0.364) 1.179 17.160 ( 1.781 -0.000 2.714) 3.246 17.563 ( -3.212 0.000 -0.603) 3.268 17.796 ( 9.649 -0.000 -1.545) 9.772 18.288 ( -5.773 0.000 5.515) 7.984 18.628 ( -3.428 0.000 -13.242) 13.678 ======================= Grid point 347 (179/250) ======================= q-point: ( 0.33 0.22 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -2.749 1.588 6.734) 7.445 1.846 ( 2.604 5.793 0.974) 6.425 1.918 ( 1.342 -2.831 -2.584) 4.061 2.024 ( 7.622 -3.075 -0.476) 8.232 2.216 ( -4.474 3.796 -3.787) 6.983 2.375 ( 2.308 -0.593 -4.395) 4.999 2.795 ( -4.765 5.476 -1.712) 7.458 2.956 ( -2.190 -1.828 -3.592) 4.587 3.542 ( -0.918 -2.025 5.468) 5.903 3.652 ( -10.327 -6.289 14.896) 19.186 4.603 ( 5.340 -0.043 1.348) 5.508 5.287 ( 20.153 -0.394 -11.652) 23.282 6.191 ( -3.270 0.112 0.427) 3.300 6.415 ( -7.494 -0.856 -2.784) 8.040 6.668 ( 0.865 0.266 -2.203) 2.381 6.830 ( -9.029 1.936 -12.701) 15.703 7.412 ( 11.340 0.665 3.690) 11.944 7.599 ( -11.769 2.741 -2.511) 12.343 7.680 ( 0.289 2.804 0.054) 2.820 7.807 ( -6.716 -2.781 -4.694) 8.652 8.384 ( -4.412 0.603 3.656) 5.762 8.524 ( 2.975 -0.595 6.311) 7.002 9.481 ( -0.446 1.341 0.592) 1.532 9.566 ( 4.043 -1.998 -8.285) 9.433 10.140 ( 4.886 0.644 -1.252) 5.085 11.063 ( -1.983 -2.441 0.660) 3.214 11.361 ( 13.314 4.978 -9.762) 17.243 11.749 ( 8.384 -7.768 13.059) 17.354 16.165 ( 2.136 0.500 0.622) 2.281 16.337 ( -2.160 -1.998 2.383) 3.786 17.057 ( -0.593 0.338 0.854) 1.094 17.201 ( 1.500 -1.093 2.372) 3.012 17.521 ( -3.808 0.140 -1.127) 3.973 17.878 ( 9.670 1.495 -1.580) 9.911 18.205 ( -8.001 4.036 1.094) 9.028 18.510 ( -4.071 0.958 -12.314) 13.005 ======================= Grid point 348 (180/250) ======================= q-point: ( 0.44 0.22 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -3.493 2.788 3.476) 5.662 1.752 ( 1.522 8.676 2.910) 9.277 1.943 ( -4.996 -3.075 -3.722) 6.948 2.064 ( -4.882 4.249 -1.584) 6.664 2.155 ( 3.834 -4.054 0.822) 5.640 2.416 ( 5.559 -1.386 -3.861) 6.908 2.634 ( -4.613 5.679 -1.122) 7.402 2.943 ( -1.202 -0.032 -2.742) 2.994 3.618 ( -0.281 -3.877 7.534) 8.477 3.777 ( -1.462 -7.971 8.602) 11.818 4.681 ( 6.033 -0.283 4.858) 7.751 5.421 ( 13.980 0.556 -9.233) 16.763 6.150 ( -2.609 -0.786 -7.201) 7.699 6.329 ( -7.599 1.281 -1.330) 7.820 6.621 ( -9.725 -1.067 -5.318) 11.135 6.690 ( 2.064 2.362 -8.308) 8.880 7.402 ( -5.773 2.500 2.333) 6.709 7.573 ( 4.490 -0.561 -3.595) 5.779 7.617 ( -3.365 -0.447 1.465) 3.697 7.779 ( 0.657 1.487 1.171) 2.004 8.328 ( -5.924 0.479 -0.150) 5.945 8.585 ( 0.677 -1.120 5.045) 5.212 9.493 ( 3.001 -0.179 2.321) 3.798 9.595 ( 3.803 -0.684 -7.258) 8.223 10.163 ( 3.723 0.852 -1.791) 4.218 11.034 ( -1.257 1.669 -13.514) 13.675 11.369 ( 7.505 4.403 5.630) 10.364 12.053 ( 6.997 -9.940 12.512) 17.445 16.175 ( 2.358 1.136 0.573) 2.679 16.408 ( 1.076 -4.608 5.819) 7.500 17.053 ( -0.819 -0.122 1.621) 1.820 17.234 ( 0.066 -0.389 1.623) 1.670 17.473 ( -3.303 0.166 -2.569) 4.187 17.920 ( 6.846 3.403 -2.031) 7.910 18.000 ( -7.036 7.345 -4.868) 11.276 18.430 ( -3.525 -1.010 -7.173) 8.056 ======================= Grid point 349 (181/250) ======================= q-point: (-0.44 -0.78 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -2.246 2.469 1.916) 3.849 1.604 ( -0.122 10.266 4.405) 11.172 1.883 ( -8.193 -1.514 -3.849) 9.178 1.979 ( -7.020 0.677 4.675) 8.462 2.250 ( -0.385 -3.362 2.659) 4.304 2.491 ( 6.250 -1.395 -4.736) 7.965 2.519 ( 2.068 4.079 -1.625) 4.853 2.913 ( -0.745 0.439 -3.116) 3.234 3.734 ( 0.579 -5.241 7.598) 9.248 3.941 ( 4.999 -5.160 2.792) 7.708 4.757 ( 3.992 1.353 6.609) 7.839 5.440 ( 0.076 2.389 -6.147) 6.595 6.091 ( 1.466 0.788 -16.990) 17.071 6.246 ( -4.218 -0.345 3.670) 5.602 6.532 ( -8.042 -3.236 -5.052) 10.034 6.683 ( 4.256 0.248 -2.668) 5.030 7.337 ( -6.439 0.438 3.560) 7.371 7.520 ( -4.442 -1.690 -5.965) 7.627 7.677 ( 5.230 1.021 0.804) 5.389 7.794 ( 6.824 2.824 6.442) 9.800 8.258 ( -6.979 -1.263 -2.417) 7.493 8.619 ( -1.855 -1.244 3.573) 4.214 9.543 ( 8.826 2.320 -3.865) 9.910 9.614 ( -0.802 -2.509 -0.313) 2.652 10.178 ( 3.323 0.377 -1.725) 3.763 10.867 ( -2.122 6.632 -16.812) 18.197 11.412 ( 3.517 2.509 12.623) 13.342 12.296 ( 1.905 -6.405 7.582) 10.107 16.188 ( 3.162 0.916 0.866) 3.404 16.540 ( 1.028 -4.369 6.467) 7.872 17.069 ( -0.523 -1.986 3.406) 3.977 17.226 ( -0.641 0.780 -0.933) 1.375 17.422 ( -2.449 1.044 -3.409) 4.326 17.764 ( -5.304 6.308 -2.651) 8.657 17.942 ( 6.551 3.612 -2.543) 7.901 18.396 ( -3.585 -2.438 -5.695) 7.158 ======================= Grid point 350 (182/250) ======================= q-point: (-0.33 0.22 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.953 -0.118 3.984) 4.438 1.472 ( 0.492 8.061 8.624) 11.815 1.817 ( -8.905 -2.180 -1.186) 9.244 1.911 ( -7.926 0.679 5.561) 9.706 2.276 ( -3.286 -0.837 2.602) 4.275 2.457 ( -0.901 1.705 -2.601) 3.238 2.599 ( 12.403 -0.211 -4.484) 13.190 2.900 ( -0.046 -1.663 -4.005) 4.337 3.876 ( 2.070 -5.853 6.197) 8.772 4.064 ( 7.926 -0.648 -1.624) 8.117 4.742 ( -0.551 5.933 4.661) 7.564 5.293 ( -11.200 3.440 -5.853) 13.097 6.053 ( 3.359 -1.252 -8.610) 9.326 6.284 ( 2.136 -3.087 0.555) 3.795 6.531 ( -3.655 -5.126 -1.725) 6.527 6.736 ( 5.697 -1.186 -0.861) 5.882 7.252 ( -9.328 1.746 4.126) 10.348 7.517 ( -0.434 -2.574 -6.052) 6.591 7.702 ( 5.927 1.637 0.279) 6.156 7.848 ( 6.962 3.457 6.389) 10.062 8.223 ( -6.128 -3.697 -1.591) 7.331 8.620 ( -4.192 -0.972 1.645) 4.607 9.543 ( 8.944 4.836 -5.984) 11.798 9.665 ( -1.635 -3.795 0.648) 4.183 10.208 ( 3.251 -0.383 -0.289) 3.286 10.654 ( -1.378 6.689 -13.003) 14.688 11.451 ( 1.512 3.100 13.832) 14.256 12.354 ( -4.711 0.288 0.178) 4.723 16.218 ( 4.130 0.431 1.124) 4.302 16.567 ( -5.035 0.953 -0.065) 5.125 17.166 ( 0.921 -3.836 4.428) 5.931 17.217 ( 2.728 -0.971 -0.417) 2.926 17.369 ( -0.095 0.728 1.070) 1.297 17.645 ( -3.524 2.417 1.594) 4.561 17.925 ( 5.850 4.180 -3.205) 7.872 18.393 ( -3.779 -4.687 -5.721) 8.305 ======================= Grid point 351 (183/250) ======================= q-point: (-0.22 0.22 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 4.146 0.032 5.495) 6.884 1.426 ( 3.117 2.839 12.448) 13.143 1.761 ( -9.900 -2.705 0.342) 10.269 1.868 ( -4.248 -0.521 6.248) 7.573 2.255 ( -1.539 0.984 0.355) 1.861 2.397 ( -0.882 2.051 -4.057) 4.631 2.703 ( 8.991 -0.675 -2.821) 9.447 2.936 ( 0.839 -3.987 -4.610) 6.153 4.013 ( -1.085 -4.783 3.421) 5.980 4.113 ( 10.170 2.753 -4.737) 11.552 4.592 ( -5.193 9.039 3.995) 11.164 5.091 ( -9.482 3.341 -6.486) 11.964 6.112 ( 0.960 -4.101 0.363) 4.228 6.376 ( 4.559 -3.330 -1.321) 5.799 6.606 ( 0.134 -5.332 0.770) 5.389 6.822 ( 4.971 -2.262 -0.961) 5.545 7.155 ( -4.988 2.191 5.535) 7.766 7.502 ( -2.637 -0.245 -5.754) 6.334 7.760 ( 4.552 -1.233 0.721) 4.771 7.878 ( 8.225 3.697 2.642) 9.396 8.242 ( -4.725 -4.527 1.785) 6.783 8.582 ( -6.159 -0.488 0.030) 6.179 9.528 ( 8.211 4.358 -3.026) 9.776 9.697 ( -1.690 -2.655 -4.449) 5.450 10.220 ( -2.838 1.303 1.645) 3.530 10.554 ( 8.181 1.231 -9.291) 12.440 11.453 ( -0.030 4.734 13.619) 14.418 12.201 ( -9.280 6.783 -6.046) 12.988 16.260 ( 3.311 0.093 0.972) 3.452 16.456 ( -5.123 3.014 -3.634) 6.967 17.176 ( 0.547 1.246 -1.756) 2.222 17.231 ( -2.551 0.891 0.992) 2.878 17.505 ( 7.453 -3.769 6.588) 10.637 17.615 ( -3.467 -2.780 4.003) 5.981 17.907 ( 6.120 2.673 0.260) 6.683 18.431 ( -3.432 -7.129 -6.495) 10.237 ======================= Grid point 352 (184/250) ======================= q-point: (-0.11 0.22 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.306 2.961 8.310) 8.827 1.549 ( 8.209 -0.904 8.660) 11.967 1.726 ( -6.903 -3.529 0.521) 7.770 1.902 ( -1.075 -2.681 6.614) 7.218 2.215 ( 1.264 2.319 -2.503) 3.638 2.354 ( 0.257 0.453 -3.155) 3.198 2.779 ( 4.262 -1.572 -2.203) 5.049 2.998 ( 0.961 -4.091 -4.729) 6.326 3.973 ( -6.462 3.084 -2.996) 7.762 4.155 ( 1.466 2.690 -1.245) 3.307 4.437 ( -1.022 4.167 6.569) 7.846 4.945 ( -0.317 3.607 -8.269) 9.027 6.187 ( -2.143 -3.594 3.821) 5.667 6.470 ( 4.288 -2.771 -1.262) 5.259 6.702 ( 1.683 -2.929 1.504) 3.698 6.867 ( -0.184 -1.105 -1.910) 2.214 7.182 ( 5.337 -2.463 6.965) 9.114 7.430 ( -4.479 0.912 -5.534) 7.178 7.817 ( 0.362 -2.192 -0.332) 2.246 7.927 ( 9.770 2.620 1.145) 10.180 8.289 ( -3.698 -4.131 4.650) 7.237 8.519 ( -6.891 -0.305 0.014) 6.898 9.535 ( 5.113 2.060 -1.154) 5.631 9.687 ( 0.838 -0.485 -8.741) 8.795 10.133 ( -6.883 2.337 2.140) 7.578 10.681 ( 16.689 -3.587 -7.714) 18.732 11.406 ( -2.343 6.075 11.862) 13.532 11.913 ( -8.778 10.785 -7.795) 15.942 16.259 ( -3.067 1.004 -0.627) 3.288 16.382 ( 2.013 1.319 -2.297) 3.327 17.139 ( -1.217 2.006 0.675) 2.441 17.196 ( -1.071 1.226 0.012) 1.628 17.568 ( 1.490 -0.594 0.498) 1.680 17.666 ( -0.102 -0.121 -0.657) 0.676 18.030 ( 6.742 -5.121 10.885) 13.790 18.506 ( -2.370 -8.520 -7.837) 11.816 ======================= Grid point 356 (185/250) ======================= q-point: ( 0.33 0.33 0.36) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -3.227 0.000 6.690) 7.428 1.852 ( -3.344 0.000 -5.541) 6.472 1.959 ( 1.432 -0.000 5.772) 5.947 2.030 ( 4.126 -0.000 -4.211) 5.896 2.196 ( -5.712 0.000 -3.158) 6.527 2.360 ( 3.697 -0.000 -7.119) 8.022 2.842 ( -3.396 0.000 1.132) 3.580 2.858 ( -2.241 0.000 -3.530) 4.181 3.548 ( -11.291 0.000 17.595) 20.907 3.599 ( 8.062 -0.000 6.284) 10.222 4.678 ( 8.237 -0.000 1.219) 8.326 5.431 ( 18.110 -0.000 -11.915) 21.678 6.126 ( -5.945 0.000 -7.288) 9.405 6.342 ( -6.388 0.000 3.785) 7.425 6.597 ( -11.397 0.000 -7.419) 13.599 6.746 ( 1.284 -0.000 -11.732) 11.802 7.479 ( -13.677 0.000 0.489) 13.686 7.567 ( 12.938 -0.000 3.611) 13.432 7.602 ( -8.784 0.000 -10.011) 13.318 7.787 ( 2.245 -0.000 4.755) 5.258 8.352 ( -6.131 0.000 2.842) 6.758 8.554 ( 0.275 -0.000 1.921) 1.940 9.467 ( -3.495 0.000 5.763) 6.740 9.610 ( 11.186 -0.000 -8.927) 14.312 10.184 ( 3.467 -0.000 -1.317) 3.709 11.032 ( -0.100 0.000 -4.663) 4.665 11.506 ( 12.026 -0.000 -4.880) 12.978 11.819 ( 7.994 -0.000 13.711) 15.871 16.214 ( 4.595 -0.000 1.952) 4.992 16.307 ( -1.486 0.000 3.675) 3.964 17.064 ( 0.448 -0.000 0.344) 0.565 17.217 ( 1.290 -0.000 2.333) 2.666 17.474 ( -4.233 0.000 -1.602) 4.526 17.982 ( 8.720 -0.000 -1.529) 8.853 18.169 ( -9.277 0.000 3.485) 9.910 18.387 ( -5.663 0.000 -17.808) 18.686 ======================= Grid point 357 (186/250) ======================= q-point: (-0.56 -0.67 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -3.254 2.688 5.187) 6.688 1.795 ( -7.886 -2.581 -4.722) 9.548 1.911 ( -0.456 6.138 2.279) 6.564 2.053 ( -7.395 2.171 -1.861) 7.928 2.117 ( 0.436 -2.794 -0.282) 2.842 2.404 ( 4.826 -2.871 -6.955) 8.939 2.717 ( -0.826 6.697 1.100) 6.837 2.901 ( -0.280 -2.374 -1.915) 3.063 3.554 ( -9.077 -4.094 16.941) 19.651 3.770 ( 12.815 -3.156 5.709) 14.380 4.777 ( 8.985 0.210 2.843) 9.427 5.524 ( 10.823 1.722 -11.327) 15.761 6.038 ( -4.612 -2.113 -11.941) 12.974 6.281 ( -8.226 1.438 4.030) 9.272 6.439 ( -12.120 -2.087 -9.904) 15.791 6.714 ( 3.002 1.069 -8.793) 9.352 7.353 ( -9.057 0.554 1.672) 9.227 7.491 ( -5.234 -0.265 -7.674) 9.293 7.705 ( 10.680 0.742 3.850) 11.377 7.834 ( 2.592 -0.316 5.830) 6.388 8.277 ( -7.154 1.454 0.183) 7.303 8.556 ( -3.162 -1.750 -0.256) 3.623 9.488 ( -1.046 -1.627 7.016) 7.278 9.673 ( 10.815 1.937 -6.910) 12.979 10.200 ( 2.323 0.607 -1.346) 2.752 10.981 ( -1.793 0.922 -13.045) 13.200 11.570 ( 10.161 4.772 4.071) 11.941 12.024 ( 6.103 -6.993 11.837) 15.042 16.245 ( 4.006 2.413 2.658) 5.379 16.376 ( 2.818 -4.295 5.736) 7.700 17.064 ( 0.358 0.803 0.770) 1.169 17.238 ( 0.172 -0.114 1.405) 1.420 17.426 ( -3.342 -0.303 -2.712) 4.315 17.993 ( -5.899 5.148 -3.468) 8.564 18.053 ( 1.007 2.555 0.478) 2.787 18.297 ( -3.494 -3.143 -13.819) 14.596 ======================= Grid point 358 (187/250) ======================= q-point: (-0.44 -0.67 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -1.858 3.050 3.691) 5.136 1.730 ( -10.631 -2.144 -1.362) 10.931 1.786 ( 0.235 7.727 0.267) 7.735 1.928 ( -9.566 1.130 3.793) 10.352 2.183 ( -2.166 -3.992 1.861) 4.908 2.464 ( 1.613 -2.327 -6.559) 7.144 2.643 ( 5.917 4.085 0.977) 7.256 2.902 ( 0.200 0.718 -3.740) 3.813 3.649 ( -5.889 -6.872 15.432) 17.890 3.991 ( 15.304 -2.799 2.300) 15.727 4.863 ( 6.353 1.513 4.818) 8.115 5.450 ( -3.837 5.414 -10.536) 12.452 6.013 ( 1.235 -2.941 -14.149) 14.505 6.182 ( -7.799 -1.063 -0.908) 7.924 6.362 ( -7.770 -4.239 -3.260) 9.433 6.710 ( 4.575 -0.276 -5.822) 7.409 7.281 ( -6.828 0.171 2.054) 7.132 7.445 ( 0.470 -1.056 -6.082) 6.191 7.771 ( 4.824 2.303 3.048) 6.153 7.924 ( 6.683 -0.215 8.522) 10.832 8.171 ( -6.631 1.135 -2.861) 7.311 8.548 ( -5.857 -2.800 -0.774) 6.538 9.547 ( -1.014 -2.584 5.451) 6.117 9.702 ( 9.891 3.840 -5.107) 11.775 10.209 ( 2.467 0.371 -0.909) 2.655 10.841 ( -4.152 3.426 -17.321) 18.138 11.608 ( 8.421 5.590 11.227) 15.106 12.231 ( 0.987 -6.352 6.989) 9.496 16.260 ( 4.324 2.098 3.063) 5.699 16.517 ( 3.090 -3.698 5.251) 7.127 17.060 ( -0.092 -0.244 2.735) 2.747 17.231 ( -0.005 0.608 -0.802) 1.007 17.396 ( -1.497 -0.236 -2.610) 3.018 17.794 ( -6.749 5.436 -2.639) 9.058 18.040 ( 0.908 1.456 -0.529) 1.796 18.264 ( -2.017 -2.192 -11.348) 11.732 ======================= Grid point 359 (188/250) ======================= q-point: (-0.33 -0.67 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 2.036 0.081 5.001) 5.400 1.643 ( -2.579 5.130 7.447) 9.403 1.677 ( -7.624 0.231 -2.007) 7.887 1.853 ( -8.352 -0.636 6.138) 10.384 2.221 ( -3.527 -2.769 2.506) 5.137 2.444 ( -1.662 0.588 -4.692) 5.012 2.708 ( 10.367 -0.457 -1.800) 10.532 2.858 ( -0.748 1.001 -5.803) 5.936 3.794 ( -2.662 -7.326 12.083) 14.379 4.175 ( 14.897 0.166 -2.263) 15.068 4.871 ( 1.472 5.561 5.246) 7.786 5.212 ( -12.150 5.285 -8.967) 15.999 6.012 ( 1.252 -1.686 -6.456) 6.788 6.196 ( -1.196 -6.876 -6.312) 9.410 6.391 ( -3.614 -6.038 1.092) 7.121 6.761 ( 5.770 -1.482 -3.613) 6.967 7.215 ( -5.265 1.157 2.289) 5.857 7.468 ( 3.493 -1.396 -5.483) 6.650 7.769 ( -0.607 1.825 2.774) 3.376 8.009 ( 7.350 3.137 4.139) 9.000 8.121 ( -1.909 -2.278 0.992) 3.134 8.521 ( -8.021 -2.805 -1.398) 8.612 9.592 ( -2.457 -2.764 1.059) 3.847 9.701 ( 8.579 4.975 -2.960) 10.349 10.235 ( 2.855 -0.135 0.193) 2.865 10.653 ( -3.471 3.651 -15.875) 16.656 11.646 ( 6.521 6.076 15.335) 17.737 12.294 ( -5.187 -1.313 0.214) 5.355 16.287 ( 4.175 1.615 3.201) 5.503 16.547 ( -2.575 1.690 -1.528) 3.438 17.133 ( 1.389 -3.822 5.944) 7.202 17.234 ( 2.665 -0.119 -1.131) 2.898 17.383 ( 1.212 -0.481 1.421) 1.928 17.664 ( -4.050 3.155 0.930) 5.217 18.023 ( 1.049 1.039 -1.640) 2.207 18.223 ( -3.683 -2.584 -11.022) 11.905 ======================= Grid point 360 (189/250) ======================= q-point: (-0.22 -0.67 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 2.451 -2.219 5.129) 6.102 1.564 ( -1.426 4.352 1.736) 4.898 1.629 ( -5.330 -2.105 10.240) 11.734 1.837 ( -3.950 -1.439 6.923) 8.100 2.235 ( -2.563 -1.470 1.976) 3.554 2.389 ( -1.161 1.205 -5.571) 5.817 2.788 ( 5.944 2.523 -4.319) 7.768 2.840 ( 0.520 -4.663 -5.086) 6.919 3.930 ( -1.808 -5.307 5.497) 7.852 4.253 ( 9.387 3.644 -4.667) 11.098 4.737 ( -3.403 10.385 4.730) 11.908 5.015 ( -7.133 1.205 -4.631) 8.589 6.058 ( 1.361 -3.383 -0.115) 3.648 6.299 ( 1.556 -7.528 -6.908) 10.335 6.493 ( -1.292 -7.305 2.569) 7.851 6.829 ( 4.538 -1.310 -2.965) 5.577 7.167 ( -2.063 0.847 3.316) 3.996 7.486 ( 2.691 1.442 -3.566) 4.695 7.735 ( -4.908 -1.421 -0.612) 5.146 8.037 ( 9.552 3.032 -2.527) 10.336 8.185 ( 0.640 -1.799 8.660) 8.869 8.470 ( -9.071 -2.459 -1.711) 9.553 9.595 ( -3.814 -1.810 -3.900) 5.747 9.693 ( 7.855 4.118 -0.968) 8.922 10.230 ( -2.089 2.377 -0.877) 3.284 10.571 ( 4.998 -1.856 -10.685) 11.941 11.655 ( 3.373 7.587 16.923) 18.850 12.183 ( -7.933 4.232 -4.732) 10.160 16.301 ( 0.242 1.684 1.979) 2.610 16.458 ( -0.920 2.897 -3.340) 4.516 17.192 ( 0.792 -0.558 0.764) 1.234 17.227 ( -1.775 1.499 -0.130) 2.327 17.533 ( 7.930 -5.991 8.685) 13.198 17.592 ( -2.728 1.945 1.655) 3.736 18.011 ( 3.374 1.986 -0.291) 3.926 18.203 ( -5.957 -7.077 -10.886) 14.285 ======================= Grid point 361 (190/250) ======================= q-point: (-0.11 0.33 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -1.518 1.892 5.778) 6.266 1.510 ( -6.542 -4.158 -1.319) 7.862 1.738 ( 7.999 -0.924 12.097) 14.532 1.879 ( -0.849 -2.267 7.472) 7.855 2.238 ( -0.921 -0.203 0.529) 1.081 2.338 ( 0.764 0.876 -6.879) 6.976 2.768 ( -1.056 -0.983 -4.744) 4.959 2.918 ( 2.595 -3.588 -4.223) 6.119 3.939 ( -4.934 1.513 -3.642) 6.317 4.212 ( -1.519 4.215 -0.920) 4.574 4.565 ( -2.448 7.532 9.653) 12.487 4.972 ( 5.631 0.847 -5.863) 8.173 6.132 ( -0.216 -3.082 2.948) 4.270 6.412 ( 1.909 -6.485 -5.624) 8.794 6.629 ( 0.103 -7.224 1.527) 7.384 6.848 ( 0.533 0.490 -3.158) 3.240 7.196 ( 1.792 -2.317 4.057) 5.004 7.444 ( 1.625 3.727 -1.056) 4.201 7.723 ( -5.068 -3.827 -3.898) 7.452 8.065 ( 6.738 2.711 -3.207) 7.940 8.264 ( 1.482 -1.516 9.761) 9.989 8.418 ( -7.047 -2.065 -0.238) 7.347 9.546 ( -4.067 -0.063 -5.418) 6.775 9.712 ( 6.753 2.077 -2.240) 7.412 10.131 ( -3.739 3.228 -1.700) 5.224 10.700 ( 11.530 -6.558 -8.476) 15.742 11.580 ( -3.642 9.338 13.349) 16.693 11.992 ( -2.713 8.200 -2.156) 8.902 16.244 ( -3.801 1.862 -1.100) 4.373 16.427 ( 2.774 1.901 -0.055) 3.363 17.166 ( -1.796 2.532 0.814) 3.209 17.207 ( 0.146 0.250 0.798) 0.849 17.557 ( -1.451 -0.152 0.391) 1.511 17.689 ( 4.162 -0.428 1.516) 4.450 18.063 ( 3.195 -2.904 5.505) 6.996 18.259 ( -3.190 -10.297 -9.154) 14.142 ======================= Grid point 366 (191/250) ======================= q-point: (-0.56 -0.56 0.36) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -2.885 0.000 6.527) 7.136 1.649 ( -11.136 0.000 -3.809) 11.770 1.946 ( -9.207 0.000 4.456) 10.229 2.010 ( -0.979 0.000 -4.978) 5.073 2.063 ( -2.636 0.000 -0.876) 2.777 2.387 ( 3.966 -0.000 -7.307) 8.314 2.791 ( -3.286 0.000 3.621) 4.889 2.883 ( 6.452 -0.000 -2.942) 7.091 3.495 ( -9.474 0.000 19.046) 21.272 3.933 ( 17.325 -0.000 5.994) 18.332 4.887 ( 9.241 -0.000 2.188) 9.497 5.577 ( 4.788 -0.000 -13.136) 13.982 5.909 ( -4.478 0.000 -11.608) 12.442 6.232 ( -11.223 0.000 -13.646) 17.669 6.236 ( -9.500 0.000 6.542) 11.534 6.710 ( 3.334 -0.000 -9.502) 10.069 7.281 ( -6.303 0.000 1.845) 6.567 7.434 ( 0.448 -0.000 -6.266) 6.282 7.850 ( 10.811 -0.000 4.485) 11.705 7.867 ( 0.054 -0.000 7.479) 7.479 8.222 ( -6.778 0.000 0.018) 6.778 8.478 ( -5.919 0.000 -3.660) 6.959 9.500 ( -0.724 0.000 7.397) 7.432 9.776 ( 10.240 -0.000 -4.563) 11.211 10.219 ( 1.408 -0.000 -0.561) 1.515 10.897 ( -3.628 0.000 -16.826) 17.213 11.748 ( 10.492 -0.000 6.408) 12.295 12.062 ( 4.156 -0.000 10.152) 10.970 16.367 ( 7.238 -0.000 4.181) 8.358 16.370 ( 3.219 -0.000 6.175) 6.964 17.083 ( 0.855 -0.000 0.395) 0.941 17.242 ( -0.478 0.000 0.531) 0.715 17.375 ( -2.711 0.000 -3.037) 4.072 17.960 ( -9.303 0.000 -11.250) 14.598 17.994 ( -10.582 0.000 4.213) 11.390 18.243 ( 8.569 -0.000 -10.698) 13.707 ======================= Grid point 367 (192/250) ======================= q-point: (-0.44 -0.56 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -2.889 3.087 5.478) 6.920 1.559 ( -11.081 -3.623 0.611) 11.674 1.849 ( -9.473 0.999 4.268) 10.438 1.909 ( -1.612 5.461 -3.326) 6.594 2.090 ( -2.959 -4.052 0.926) 5.102 2.410 ( 1.758 -1.946 -5.959) 6.510 2.746 ( -0.556 2.637 2.436) 3.633 2.927 ( 5.023 1.368 -4.068) 6.607 3.548 ( -6.045 -5.359 18.678) 20.350 4.149 ( 17.767 -0.896 3.143) 18.065 4.971 ( 6.057 1.143 3.302) 6.993 5.451 ( -6.355 6.362 -13.592) 16.298 5.889 ( 0.349 -5.728 -10.741) 12.178 6.060 ( -8.388 0.627 -9.219) 12.480 6.211 ( -7.286 -4.079 3.056) 8.892 6.720 ( 5.594 -0.678 -7.562) 9.431 7.239 ( -3.652 0.272 1.467) 3.945 7.439 ( 4.897 -0.218 -5.282) 7.206 7.858 ( -1.981 2.741 6.721) 7.524 8.001 ( 6.971 -2.364 7.125) 10.245 8.144 ( -2.410 2.065 -1.823) 3.660 8.416 ( -7.511 -2.520 -3.787) 8.781 9.525 ( -2.413 -0.999 5.261) 5.874 9.837 ( 8.954 2.326 -3.112) 9.760 10.233 ( 1.862 0.050 0.618) 1.962 10.752 ( -5.994 1.651 -18.678) 19.686 11.842 ( 9.765 4.418 9.413) 14.265 12.170 ( -0.116 -4.140 5.800) 7.127 16.381 ( 5.702 3.726 5.184) 8.560 16.521 ( 5.165 -3.244 4.206) 7.410 17.079 ( 0.235 1.015 1.711) 2.003 17.231 ( -0.507 -0.250 -1.475) 1.580 17.360 ( -0.543 -1.277 -1.728) 2.216 17.770 ( -8.624 2.385 -8.268) 12.183 17.935 ( -11.039 -2.826 0.336) 11.400 18.279 ( 8.388 2.193 -8.077) 11.849 ======================= Grid point 368 (193/250) ======================= q-point: (-0.33 -0.56 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -1.760 0.101 6.835) 7.059 1.518 ( -10.948 -2.763 3.829) 11.923 1.785 ( -5.665 -0.715 5.475) 7.911 1.792 ( -0.111 5.717 0.341) 5.728 2.133 ( -3.734 -4.083 2.046) 5.899 2.415 ( -0.671 -0.171 -3.501) 3.569 2.726 ( -0.794 -0.776 -2.054) 2.335 2.911 ( 5.025 3.480 -4.359) 7.508 3.697 ( -2.351 -7.160 14.599) 16.429 4.325 ( 13.950 0.437 -2.551) 14.188 4.998 ( 2.732 3.026 6.414) 7.600 5.162 ( -11.144 8.508 -11.188) 17.938 5.972 ( -0.129 -1.476 -6.290) 6.462 5.987 ( -1.348 -9.161 -9.946) 13.590 6.261 ( -3.233 -5.925 3.735) 7.715 6.777 ( 6.632 -1.519 -5.248) 8.592 7.203 ( -2.401 0.943 1.127) 2.815 7.489 ( 7.581 -0.620 -4.770) 8.979 7.772 ( -9.268 3.046 4.372) 10.691 8.111 ( 4.347 0.546 -2.280) 4.939 8.144 ( 6.285 -0.448 8.930) 10.929 8.367 ( -8.621 -3.037 -3.104) 9.652 9.524 ( -4.629 -1.469 0.863) 4.932 9.854 ( 7.554 4.040 -1.682) 8.730 10.263 ( 2.097 -0.058 1.382) 2.512 10.574 ( -5.691 1.381 -16.938) 17.922 11.896 ( 8.245 5.865 12.439) 16.035 12.210 ( -5.353 -1.929 -0.029) 5.690 16.393 ( 3.930 3.710 4.522) 7.047 16.560 ( 0.154 2.236 -2.263) 3.186 17.120 ( 1.676 -2.382 5.448) 6.178 17.245 ( 1.745 -1.048 -1.607) 2.594 17.390 ( 2.889 -1.971 2.280) 4.175 17.654 ( -4.956 0.166 -3.883) 6.298 17.872 ( -11.482 -4.395 -2.989) 12.652 18.257 ( 6.337 4.989 -6.832) 10.570 ======================= Grid point 369 (194/250) ======================= q-point: (-0.22 -0.56 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -7.557 -1.295 7.449) 10.690 1.482 ( -6.826 -2.986 1.492) 7.599 1.741 ( 3.755 3.231 8.750) 10.055 1.810 ( 0.126 -2.162 5.360) 5.782 2.173 ( -3.015 -3.362 2.185) 5.017 2.380 ( -0.899 1.283 -2.301) 2.784 2.712 ( -4.131 -2.428 -7.455) 8.863 2.897 ( 6.038 2.537 -2.619) 7.054 3.846 ( -1.187 -5.588 6.892) 8.952 4.366 ( 4.101 3.704 -6.004) 8.160 4.872 ( -9.331 7.963 -3.221) 12.683 5.010 ( 5.662 3.061 6.240) 8.964 6.002 ( 0.098 -5.263 -4.462) 6.901 6.115 ( 1.572 -8.599 -8.076) 11.901 6.375 ( 0.148 -6.693 4.473) 8.051 6.844 ( 5.153 -1.025 -4.304) 6.792 7.175 ( -0.848 0.633 1.959) 2.226 7.559 ( 8.175 0.927 -2.620) 8.634 7.635 ( -11.281 0.734 0.954) 11.345 8.132 ( 3.456 0.882 -4.533) 5.768 8.243 ( 2.364 0.052 11.073) 11.322 8.331 ( -3.843 -2.677 -1.816) 5.023 9.494 ( -5.300 -1.944 -3.748) 6.776 9.845 ( 6.425 4.616 -0.271) 7.916 10.240 ( -2.961 2.534 -3.506) 5.243 10.507 ( 1.860 -3.941 -8.916) 9.924 11.888 ( 0.229 7.910 11.407) 13.883 12.156 ( -2.716 1.286 -0.921) 3.143 16.340 ( -2.910 3.955 -0.583) 4.945 16.516 ( 3.529 3.048 0.733) 4.720 17.180 ( -0.083 -1.382 2.529) 2.883 17.245 ( -0.022 1.400 -1.387) 1.971 17.553 ( 7.354 -5.005 7.755) 11.802 17.603 ( -1.667 0.231 -0.293) 1.708 17.842 ( -10.778 -8.482 -8.100) 15.928 18.194 ( 4.937 5.344 -3.357) 8.013 ======================= Grid point 370 (195/250) ======================= q-point: (-0.11 -0.56 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -9.521 -4.115 5.915) 11.941 1.450 ( -5.249 -0.003 -0.258) 5.256 1.842 ( 4.984 -1.985 12.061) 13.200 1.893 ( 5.385 -1.467 4.529) 7.188 2.202 ( -1.544 -1.676 0.512) 2.336 2.349 ( 1.265 0.928 -2.072) 2.599 2.664 ( -6.047 -2.371 -7.673) 10.053 2.915 ( 3.937 0.280 -2.588) 4.720 3.894 ( -2.405 -0.445 -3.026) 3.891 4.254 ( -4.871 5.114 -2.224) 7.405 4.686 ( -5.435 5.582 6.635) 10.233 5.075 ( 12.367 2.314 1.510) 12.672 6.089 ( 1.141 -4.567 -0.992) 4.810 6.236 ( -0.030 -8.996 -8.974) 12.707 6.518 ( 1.184 -6.344 3.234) 7.218 6.858 ( 1.259 1.135 -4.293) 4.615 7.202 ( 2.330 -1.425 4.337) 5.125 7.509 ( -5.731 1.623 1.773) 6.215 7.620 ( 2.681 -0.491 -3.390) 4.349 8.078 ( -6.818 0.292 -5.369) 8.683 8.316 ( 4.359 -0.720 6.656) 7.989 8.367 ( 2.301 -0.751 3.544) 4.291 9.455 ( -3.891 -1.781 -6.632) 7.893 9.825 ( 4.269 4.217 -0.007) 6.000 10.136 ( -2.396 2.397 -4.956) 6.004 10.626 ( 5.811 -7.852 -6.473) 11.718 11.714 ( -9.904 8.933 4.176) 13.976 12.136 ( 5.446 4.975 7.016) 10.180 16.236 ( -3.658 2.504 -2.407) 5.045 16.513 ( 3.616 3.407 3.866) 6.295 17.187 ( -1.912 1.215 0.728) 2.379 17.218 ( 0.408 0.529 1.233) 1.402 17.553 ( -1.236 1.012 -0.226) 1.613 17.725 ( 3.663 -1.591 1.341) 4.213 17.871 ( -8.142 -10.609 -10.324) 16.895 18.199 ( 6.519 -0.301 4.133) 7.724 ======================= Grid point 376 (196/250) ======================= q-point: (-0.44 -0.44 0.36) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -11.500 0.000 2.928) 11.867 1.427 ( -3.607 0.000 8.440) 9.179 1.786 ( -6.956 0.000 3.926) 7.987 1.923 ( -4.169 0.000 -1.587) 4.461 2.022 ( -1.265 0.000 -1.052) 1.646 2.390 ( 1.684 -0.000 -3.816) 4.171 2.752 ( -3.133 0.000 0.759) 3.223 2.977 ( 3.851 -0.000 -3.721) 5.355 3.540 ( -2.435 0.000 19.365) 19.518 4.323 ( 14.871 -0.000 -0.046) 14.871 5.053 ( 4.643 -0.000 4.390) 6.390 5.366 ( -10.268 0.000 -15.583) 18.662 5.784 ( 0.049 -0.000 -7.291) 7.291 5.954 ( -4.503 0.000 -12.183) 12.989 6.134 ( -3.245 0.000 6.659) 7.408 6.746 ( 7.021 -0.000 -6.748) 9.738 7.221 ( -1.902 0.000 1.176) 2.236 7.479 ( 7.202 -0.000 -4.914) 8.719 7.859 ( -9.496 0.000 7.117) 11.867 8.072 ( 5.565 -0.000 4.769) 7.329 8.162 ( 2.470 -0.000 1.991) 3.173 8.304 ( -5.143 0.000 -4.898) 7.102 9.500 ( -4.844 0.000 3.321) 5.873 9.930 ( 7.490 -0.000 -2.562) 7.916 10.259 ( 1.860 -0.000 2.596) 3.194 10.608 ( -7.890 0.000 -19.063) 20.631 12.017 ( 8.591 -0.000 7.587) 11.462 12.145 ( -2.179 0.000 3.400) 4.039 16.514 ( 4.611 -0.000 3.457) 5.763 16.559 ( 6.674 -0.000 4.397) 7.992 17.106 ( 0.930 -0.000 1.785) 2.013 17.191 ( -2.567 0.000 -3.526) 4.362 17.347 ( 1.265 -0.000 0.673) 1.433 17.624 ( -9.614 0.000 -13.054) 16.213 17.830 ( -9.405 0.000 5.735) 11.016 18.358 ( 8.586 -0.000 -6.989) 11.071 ======================= Grid point 377 (197/250) ======================= q-point: (-0.33 -0.44 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -7.521 -1.472 8.030) 11.100 1.412 ( -9.074 -0.024 8.953) 12.747 1.761 ( -0.702 -0.138 4.372) 4.430 1.857 ( -2.051 2.010 0.513) 2.918 2.036 ( -2.277 -3.241 0.069) 3.962 2.397 ( 0.583 -0.489 -1.752) 1.910 2.699 ( -3.547 1.528 -2.285) 4.488 2.978 ( 2.487 1.185 -3.149) 4.184 3.651 ( 0.144 -4.068 15.187) 15.724 4.427 ( 7.450 0.290 -5.715) 9.394 5.067 ( -4.732 4.928 -3.374) 7.620 5.177 ( -1.190 2.316 -1.340) 2.929 5.783 ( -2.651 -3.523 -8.489) 9.566 5.918 ( 1.986 -4.151 -7.261) 8.597 6.195 ( 3.071 -3.010 6.210) 7.553 6.800 ( 6.719 -0.975 -5.398) 8.674 7.205 ( -1.128 0.669 1.265) 1.822 7.535 ( 6.201 -0.551 -4.248) 7.536 7.741 ( -11.314 2.926 4.423) 12.495 8.123 ( -2.160 -1.172 0.441) 2.496 8.229 ( 5.878 -0.810 5.950) 8.403 8.272 ( 1.391 -0.346 -1.818) 2.315 9.452 ( -6.590 -0.467 -0.078) 6.607 9.969 ( 6.003 1.989 -2.431) 6.775 10.290 ( 0.830 0.459 2.784) 2.941 10.441 ( -7.302 -0.311 -15.892) 17.492 12.093 ( 2.736 3.288 5.005) 6.584 12.132 ( -1.649 -1.308 1.459) 2.561 16.505 ( -0.162 4.428 -0.943) 4.531 16.614 ( 3.793 1.978 1.274) 4.463 17.140 ( 3.072 -0.633 5.056) 5.950 17.197 ( -0.963 -3.903 -2.974) 5.001 17.400 ( 4.055 -2.466 3.841) 6.105 17.508 ( -6.976 -2.606 -10.249) 12.669 17.758 ( -8.328 0.850 5.134) 9.821 18.379 ( 7.284 3.645 -6.308) 10.302 ======================= Grid point 378 (198/250) ======================= q-point: (-0.22 -0.44 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -11.355 1.198 11.485) 16.195 1.366 ( -6.815 -3.179 5.183) 9.133 1.814 ( 2.352 -1.696 4.037) 4.970 1.850 ( 4.331 0.692 5.088) 6.718 2.082 ( -2.673 -4.476 2.209) 5.662 2.393 ( -0.464 0.867 0.917) 1.345 2.618 ( -3.820 0.701 -7.048) 8.047 2.969 ( 2.912 1.602 -2.475) 4.144 3.784 ( 0.152 -4.387 7.442) 8.640 4.406 ( -0.734 2.629 -7.601) 8.076 4.840 ( -9.621 4.560 -6.692) 12.575 5.219 ( 8.747 3.812 10.099) 13.894 5.806 ( -1.480 -7.519 -11.358) 13.701 6.027 ( 4.509 -5.319 -1.990) 7.251 6.332 ( 5.811 -3.908 5.609) 8.972 6.857 ( 4.856 -0.978 -5.030) 7.059 7.192 ( -0.105 0.633 2.488) 2.569 7.530 ( -8.465 0.649 -0.079) 8.490 7.652 ( 2.041 0.798 0.903) 2.370 8.073 ( -6.888 0.071 -3.564) 7.756 8.309 ( 3.615 0.232 6.408) 7.361 8.342 ( 7.243 -1.094 1.577) 7.493 9.391 ( -5.792 -1.329 -3.727) 7.014 9.969 ( 4.728 3.249 -1.801) 6.013 10.213 ( -5.512 2.140 -8.155) 10.073 10.417 ( 0.349 -4.134 -1.808) 4.526 11.968 ( -9.469 5.116 -2.236) 10.992 12.203 ( 5.690 -0.132 6.164) 8.390 16.367 ( -4.974 5.009 -4.719) 8.491 16.629 ( 4.426 2.635 4.104) 6.587 17.183 ( 1.222 0.201 2.495) 2.785 17.240 ( -0.088 -1.672 -2.109) 2.693 17.467 ( -6.190 -6.135 -9.872) 13.169 17.574 ( 7.663 -5.682 7.567) 12.176 17.681 ( -6.253 1.332 3.757) 7.415 18.335 ( 5.817 5.834 -3.349) 8.893 ======================= Grid point 379 (199/250) ======================= q-point: (-0.11 -0.44 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -10.130 -0.990 10.912) 14.922 1.362 ( -6.490 -1.928 1.366) 6.907 1.888 ( 2.588 -1.725 5.036) 5.919 1.945 ( 4.936 -1.561 4.497) 6.857 2.164 ( 1.105 -4.289 4.516) 6.325 2.373 ( -0.562 1.290 2.767) 3.104 2.538 ( -3.894 -0.469 -9.624) 10.392 2.958 ( 2.426 1.705 -2.319) 3.764 3.853 ( 0.136 -1.580 -1.781) 2.385 4.271 ( -5.626 4.892 -4.139) 8.528 4.699 ( -6.266 1.260 1.466) 6.557 5.292 ( 10.682 4.048 8.004) 13.948 5.904 ( 0.262 -10.189 -13.153) 16.640 6.146 ( 3.988 -3.279 0.869) 5.236 6.479 ( 5.149 -3.578 4.001) 7.438 6.866 ( 0.570 1.044 -5.097) 5.234 7.227 ( 2.617 -1.662 4.993) 5.877 7.430 ( -7.814 -0.100 2.026) 8.073 7.676 ( 1.090 0.291 0.575) 1.266 7.964 ( -7.723 1.387 -5.076) 9.346 8.387 ( 4.768 -0.827 7.423) 8.861 8.417 ( 4.743 0.378 0.441) 4.778 9.358 ( -2.141 -2.308 -6.657) 7.364 9.929 ( 1.051 4.540 -0.711) 4.714 10.114 ( -1.104 0.364 -7.388) 7.479 10.512 ( 0.920 -6.567 -1.660) 6.835 11.739 ( -11.574 6.812 -2.052) 13.585 12.286 ( 5.391 0.861 6.910) 8.806 16.231 ( -3.692 2.846 -3.618) 5.901 16.639 ( 2.905 3.331 5.979) 7.435 17.190 ( -0.129 0.770 1.376) 1.582 17.236 ( -0.275 0.639 -0.592) 0.914 17.477 ( -5.795 -6.702 -10.118) 13.449 17.631 ( -3.218 -0.250 1.431) 3.530 17.752 ( 4.444 -3.310 2.422) 6.047 18.309 ( 6.379 3.049 3.056) 7.703 ======================= Grid point 386 (200/250) ======================= q-point: (-0.33 -0.33 0.36) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -5.955 0.000 11.479) 12.932 1.371 ( -10.453 0.000 12.253) 16.106 1.801 ( 4.211 -0.000 3.911) 5.747 1.831 ( -5.843 0.000 5.482) 8.012 1.998 ( 1.146 -0.000 -3.345) 3.536 2.390 ( 0.128 -0.000 -1.790) 1.795 2.673 ( -3.170 0.000 -2.062) 3.781 2.987 ( 1.150 -0.000 -2.438) 2.695 3.691 ( 1.450 -0.000 12.282) 12.367 4.438 ( 0.906 -0.000 -7.987) 8.038 4.997 ( -11.136 0.000 -13.692) 17.649 5.200 ( 2.785 -0.000 4.767) 5.521 5.773 ( 4.357 -0.000 0.853) 4.440 5.846 ( 3.436 -0.000 -7.054) 7.847 6.265 ( 8.591 -0.000 6.187) 10.587 6.831 ( 5.588 -0.000 -5.200) 7.634 7.211 ( -0.567 0.000 2.111) 2.186 7.552 ( 0.300 -0.000 -1.856) 1.880 7.656 ( -12.532 0.000 3.186) 12.931 8.088 ( -0.462 0.000 -2.870) 2.907 8.304 ( 5.576 -0.000 5.961) 8.162 8.320 ( 5.734 -0.000 1.663) 5.970 9.371 ( -7.281 0.000 -1.854) 7.513 10.022 ( 4.173 -0.000 -4.581) 6.197 10.280 ( -8.292 0.000 -13.829) 16.124 10.328 ( 0.582 -0.000 5.550) 5.580 12.045 ( -7.100 0.000 -2.891) 7.666 12.201 ( 4.009 -0.000 2.643) 4.801 16.507 ( -4.955 0.000 -6.365) 8.066 16.659 ( 0.614 -0.000 -1.602) 1.716 17.128 ( -1.015 0.000 -0.418) 1.098 17.215 ( 6.799 -0.000 6.746) 9.578 17.398 ( -3.807 0.000 -6.438) 7.479 17.438 ( 4.624 -0.000 5.967) 7.549 17.718 ( -6.120 0.000 5.302) 8.097 18.460 ( 7.404 -0.000 -6.516) 9.863 ======================= Grid point 387 (201/250) ======================= q-point: (-0.22 -0.33 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -9.183 1.877 14.377) 17.162 1.305 ( -6.195 -0.289 10.394) 12.104 1.818 ( -2.004 -1.336 7.196) 7.589 1.900 ( 5.072 -2.399 4.700) 7.319 2.013 ( 0.994 -1.812 -1.659) 2.651 2.380 ( -1.855 -0.857 -2.413) 3.162 2.610 ( -1.088 3.175 -2.429) 4.143 2.995 ( 2.093 0.030 -2.106) 2.970 3.768 ( 1.257 -1.934 6.466) 6.865 4.385 ( -2.593 1.107 -7.435) 7.952 4.786 ( -9.048 4.157 -9.192) 13.551 5.270 ( -1.324 -5.632 -0.787) 5.838 5.775 ( 8.554 4.118 -0.513) 9.507 5.985 ( 7.530 -6.063 1.469) 9.778 6.400 ( 9.864 -1.050 5.495) 11.340 6.864 ( 3.907 -0.639 -5.521) 6.794 7.207 ( -1.862 0.359 3.185) 3.707 7.478 ( -8.033 2.518 2.705) 8.842 7.603 ( -6.744 -3.552 1.959) 7.870 8.058 ( 1.363 2.787 -4.180) 5.205 8.378 ( 2.873 0.243 7.362) 7.906 8.405 ( 7.802 -1.040 -0.056) 7.871 9.297 ( -5.275 -0.895 -4.077) 6.727 10.027 ( 3.233 0.603 -6.011) 6.852 10.139 ( -5.903 1.386 -8.552) 10.484 10.369 ( -1.161 -1.993 5.049) 5.551 11.919 ( -9.399 3.125 -5.252) 11.211 12.246 ( 1.676 -1.829 0.433) 2.518 16.364 ( -6.415 4.097 -6.676) 10.125 16.660 ( -1.771 -2.079 -2.117) 3.455 17.152 ( -0.930 -3.096 -0.909) 3.358 17.284 ( 6.069 3.541 5.799) 9.110 17.344 ( -2.587 -0.055 -4.136) 4.879 17.577 ( 5.144 -5.214 6.770) 9.974 17.684 ( -2.175 1.055 5.715) 6.205 18.470 ( 6.835 3.923 -4.731) 9.192 ======================= Grid point 388 (202/250) ======================= q-point: (-0.11 -0.33 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -8.833 2.056 14.671) 17.248 1.306 ( -4.460 0.154 7.107) 8.392 1.876 ( -0.602 -2.809 4.858) 5.644 1.984 ( 3.202 0.044 0.198) 3.208 2.108 ( 2.032 -6.452 6.895) 9.659 2.358 ( -3.580 -1.300 -2.758) 4.702 2.538 ( 2.673 4.248 -2.751) 5.723 2.998 ( 2.364 1.326 -2.099) 3.428 3.832 ( 2.381 -1.599 -0.448) 2.903 4.276 ( -4.109 3.920 -5.238) 7.726 4.636 ( -6.921 0.220 -2.360) 7.316 5.345 ( -3.862 -6.545 -2.591) 8.029 5.830 ( 12.277 1.414 -1.848) 12.496 6.155 ( 6.671 -3.285 3.277) 8.126 6.535 ( 8.591 -0.572 4.354) 9.649 6.861 ( -0.420 1.124 -5.480) 5.609 7.213 ( -2.335 -3.115 4.120) 5.668 7.401 ( -3.845 1.237 5.331) 6.688 7.603 ( -6.864 -3.068 2.612) 7.959 7.979 ( 0.396 5.006 -4.545) 6.773 8.434 ( 0.160 -0.646 9.300) 9.324 8.483 ( 7.518 0.449 -3.406) 8.266 9.272 ( -0.405 -2.516 -6.457) 6.941 9.988 ( -2.395 3.649 -2.096) 4.842 10.075 ( 3.146 -1.398 -8.272) 8.959 10.417 ( -2.661 -3.709 3.439) 5.716 11.712 ( -10.642 5.322 -4.641) 12.772 12.305 ( -0.160 -3.803 -0.375) 3.825 16.227 ( -3.288 2.713 -3.913) 5.786 16.665 ( -3.887 -2.302 -0.779) 4.584 17.188 ( -1.017 -2.786 -2.263) 3.731 17.284 ( 4.251 4.838 3.592) 7.374 17.316 ( -2.349 -1.513 -1.399) 3.124 17.645 ( 0.201 0.473 1.924) 1.992 17.755 ( 3.045 -2.050 4.922) 6.140 18.451 ( 6.793 4.229 0.446) 8.015 ======================= Grid point 396 (203/250) ======================= q-point: (-0.22 -0.22 0.36) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -9.487 0.000 14.028) 16.934 1.314 ( -3.119 0.000 12.962) 13.332 1.815 ( -3.852 0.000 14.751) 15.246 1.946 ( 5.461 -0.000 2.742) 6.111 2.014 ( 3.662 -0.000 -4.666) 5.932 2.321 ( -3.448 0.000 -6.458) 7.321 2.643 ( 1.497 -0.000 0.967) 1.783 3.011 ( 3.104 -0.000 -1.763) 3.570 3.794 ( 2.112 -0.000 3.984) 4.509 4.333 ( -3.158 0.000 -6.017) 6.795 4.701 ( -6.804 0.000 -10.297) 12.343 5.135 ( -6.593 0.000 -7.007) 9.621 5.981 ( 11.967 -0.000 -0.140) 11.968 6.005 ( 10.047 -0.000 9.596) 13.894 6.530 ( 11.655 -0.000 5.430) 12.857 6.868 ( 2.988 -0.000 -6.195) 6.878 7.174 ( -8.065 0.000 2.584) 8.468 7.439 ( -10.806 0.000 5.950) 12.336 7.520 ( -0.365 0.000 4.536) 4.551 8.088 ( 0.761 -0.000 -3.805) 3.880 8.438 ( 1.637 -0.000 5.320) 5.566 8.472 ( 8.222 -0.000 -0.459) 8.235 9.226 ( -2.524 0.000 -4.354) 5.033 10.022 ( 3.605 -0.000 -9.270) 9.946 10.077 ( -3.605 0.000 -4.000) 5.385 10.357 ( -3.375 0.000 6.592) 7.406 11.832 ( -8.929 0.000 -6.371) 10.969 12.196 ( -3.757 0.000 -5.587) 6.733 16.306 ( -5.855 0.000 -6.190) 8.520 16.573 ( -4.761 0.000 -4.848) 6.795 17.122 ( -0.907 0.000 1.347) 1.624 17.303 ( -2.046 0.000 -2.299) 3.078 17.447 ( 7.776 -0.000 5.121) 9.311 17.578 ( 1.163 -0.000 4.041) 4.205 17.733 ( 3.540 -0.000 10.258) 10.852 18.556 ( 7.443 -0.000 -5.311) 9.144 ======================= Grid point 397 (204/250) ======================= q-point: (-0.11 -0.22 0.36) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -6.909 2.258 14.278) 16.021 1.325 ( -3.678 1.014 11.622) 12.232 1.861 ( -1.860 -0.558 11.852) 12.010 2.014 ( 3.798 0.512 -4.944) 6.255 2.062 ( 2.457 -4.557 5.692) 7.694 2.268 ( -2.870 -1.848 -7.607) 8.338 2.646 ( 3.864 3.258 1.780) 5.359 3.035 ( 3.370 0.579 -1.791) 3.860 3.843 ( 3.869 -0.901 0.665) 4.028 4.266 ( -3.111 1.338 -4.920) 5.973 4.570 ( -5.279 2.359 -6.333) 8.575 5.100 ( -7.982 -8.053 -9.049) 14.507 6.050 ( 13.190 4.621 4.732) 14.756 6.195 ( 8.115 -3.112 4.772) 9.915 6.665 ( 10.919 1.259 5.176) 12.149 6.853 ( -0.270 1.406 -5.660) 5.838 7.112 ( -7.778 -3.582 1.765) 8.743 7.370 ( -9.485 -0.856 9.400) 13.381 7.578 ( 4.651 -0.163 5.358) 7.097 8.030 ( -2.725 3.294 -3.488) 5.518 8.460 ( -1.320 0.152 5.940) 6.087 8.549 ( 7.139 0.152 -3.067) 7.771 9.219 ( 2.798 -1.451 -4.984) 5.897 9.985 ( -4.176 1.385 -4.465) 6.269 10.081 ( 9.241 -0.793 -6.250) 11.184 10.354 ( -5.390 -1.528 5.952) 8.174 11.668 ( -9.390 4.141 -6.195) 11.987 12.158 ( -7.012 -5.807 -7.858) 12.027 16.224 ( -1.433 1.695 -3.361) 4.027 16.531 ( -6.259 -3.453 -4.346) 8.366 17.129 ( -1.601 -1.577 0.616) 2.331 17.273 ( -2.313 -0.079 -1.403) 2.706 17.468 ( 5.263 5.308 4.319) 8.633 17.637 ( 1.727 -2.901 -0.066) 3.377 17.824 ( 4.296 1.740 11.372) 12.280 18.584 ( 7.363 2.909 -2.728) 8.373 ======================= Grid point 406 (205/250) ======================= q-point: (-0.11 -0.11 0.36) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -5.257 0.000 12.776) 13.815 1.345 ( -4.222 0.000 12.278) 12.983 1.921 ( -0.866 0.000 15.066) 15.091 2.027 ( 2.469 -0.000 -7.801) 8.183 2.067 ( 3.477 -0.000 4.125) 5.395 2.191 ( -0.752 0.000 -7.799) 7.835 2.725 ( 4.058 -0.000 2.357) 4.693 3.070 ( 3.678 -0.000 -1.683) 4.045 3.883 ( 4.275 -0.000 1.487) 4.527 4.211 ( -5.056 0.000 -4.544) 6.798 4.543 ( -0.073 0.000 -8.734) 8.734 4.891 ( -8.790 0.000 -8.240) 12.049 6.242 ( 4.992 -0.000 6.579) 8.259 6.262 ( 12.571 -0.000 1.951) 12.722 6.809 ( 5.844 -0.000 5.352) 7.924 6.852 ( 1.178 -0.000 -5.871) 5.988 6.998 ( -3.860 0.000 2.352) 4.520 7.319 ( -6.806 0.000 12.133) 13.912 7.675 ( 7.445 -0.000 6.303) 9.754 7.997 ( -6.182 0.000 -2.814) 6.792 8.460 ( -3.159 0.000 4.961) 5.882 8.598 ( 4.678 -0.000 -4.340) 6.381 9.248 ( 8.354 -0.000 -3.214) 8.951 9.916 ( -5.912 0.000 -6.640) 8.890 10.185 ( 16.444 -0.000 -4.572) 17.068 10.301 ( -7.833 0.000 6.484) 10.168 11.592 ( -8.169 0.000 -6.490) 10.433 11.948 ( -12.124 0.000 -11.493) 16.706 16.229 ( 2.283 -0.000 -2.277) 3.225 16.419 ( -6.076 0.000 -3.306) 6.917 17.103 ( -1.871 0.000 1.363) 2.315 17.240 ( -2.754 0.000 -1.146) 2.983 17.584 ( 2.718 -0.000 0.904) 2.864 17.601 ( 1.249 -0.000 -0.799) 1.483 17.964 ( 5.655 -0.000 14.353) 15.427 18.670 ( 7.332 -0.000 -4.127) 8.414 ======================= Grid point 407 (206/250) ======================= q-point: ( 0.00 0.00 0.45) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -2.710 0.000 11.552) 11.865 1.616 ( 1.490 -0.000 7.852) 7.992 1.768 ( 0.138 -0.000 -11.244) 11.245 1.801 ( 0.302 -0.000 -7.876) 7.882 2.274 ( 1.046 -0.000 4.190) 4.319 2.312 ( 1.949 -0.000 1.375) 2.385 2.881 ( -0.757 0.000 5.679) 5.729 3.019 ( 2.345 -0.000 -6.523) 6.932 3.969 ( -11.024 0.000 0.434) 11.032 3.998 ( 7.645 -0.000 -1.096) 7.723 4.466 ( 1.758 -0.000 2.008) 2.669 4.567 ( -1.491 0.000 -6.177) 6.355 6.413 ( -3.628 0.000 4.513) 5.791 6.470 ( 4.831 -0.000 -1.054) 4.945 6.754 ( -8.105 0.000 1.482) 8.239 6.804 ( 7.862 -0.000 -3.034) 8.427 7.346 ( 10.979 -0.000 5.980) 12.502 7.440 ( -7.513 0.000 -2.158) 7.817 7.864 ( -0.598 0.000 2.168) 2.249 7.890 ( 2.427 -0.000 -0.017) 2.427 8.544 ( -0.208 0.000 2.519) 2.527 8.548 ( -2.636 0.000 0.756) 2.742 9.440 ( 12.079 -0.000 0.845) 12.108 9.525 ( -9.225 0.000 -7.515) 11.898 10.289 ( -13.923 0.000 6.986) 15.577 10.439 ( 19.842 -0.000 -7.372) 21.167 11.367 ( 2.374 -0.000 -0.937) 2.553 11.395 ( -10.659 0.000 -4.208) 11.459 16.263 ( -4.855 0.000 0.115) 4.857 16.280 ( 5.164 -0.000 -1.400) 5.351 17.125 ( -0.138 0.000 1.957) 1.962 17.157 ( -1.749 0.000 -1.030) 2.029 17.587 ( -0.061 0.000 -0.451) 0.455 17.592 ( 0.993 -0.000 -0.906) 1.344 18.423 ( 0.099 -0.000 10.996) 10.997 18.620 ( 2.759 -0.000 -8.221) 8.672 ======================= Grid point 408 (207/250) ======================= q-point: ( 0.11 0.00 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -2.404 0.741 10.256) 10.560 1.674 ( 4.042 0.994 0.205) 4.167 1.745 ( 2.219 -2.135 -1.270) 3.331 1.798 ( 1.166 -2.152 -7.788) 8.164 2.283 ( 0.676 1.371 2.989) 3.357 2.315 ( 0.538 1.280 -2.894) 3.210 2.875 ( -1.475 2.003 4.617) 5.244 2.987 ( 1.302 2.074 -7.133) 7.542 3.864 ( -11.040 -0.899 1.302) 11.153 4.063 ( 2.365 -1.297 1.336) 3.010 4.509 ( 2.699 -0.956 4.702) 5.505 4.593 ( 3.060 -4.757 -6.704) 8.772 6.376 ( -4.867 1.254 3.909) 6.367 6.498 ( 3.824 1.051 -2.867) 4.894 6.698 ( -6.297 -1.363 0.800) 6.492 6.883 ( 9.208 0.380 -1.691) 9.370 7.319 ( -9.566 1.036 -6.108) 11.397 7.445 ( 8.684 2.962 5.208) 10.550 7.861 ( -1.050 1.532 -1.119) 2.168 7.908 ( 3.199 -0.073 -0.654) 3.266 8.513 ( -2.245 1.218 3.820) 4.595 8.543 ( -1.741 0.830 1.642) 2.533 9.412 ( -7.005 -1.025 -8.261) 10.880 9.560 ( 9.898 0.014 1.662) 10.036 10.177 ( -12.633 -0.220 4.499) 13.412 10.590 ( 18.603 1.193 -10.482) 21.386 11.339 ( -7.820 -5.266 2.221) 9.686 11.470 ( 5.502 -6.150 3.257) 8.872 16.220 ( -4.508 -0.404 0.211) 4.531 16.325 ( 4.187 -0.408 -1.117) 4.353 17.136 ( -1.057 -0.261 1.403) 1.776 17.150 ( 0.147 -1.029 0.847) 1.341 17.585 ( 0.445 0.513 -1.259) 1.430 17.603 ( 1.569 -0.509 -0.367) 1.689 18.431 ( -1.964 3.104 8.439) 9.203 18.561 ( 0.476 3.955 -9.682) 10.469 ======================= Grid point 409 (208/250) ======================= q-point: ( 0.22 0.00 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -3.293 1.407 3.724) 5.167 1.655 ( 3.143 3.186 -1.289) 4.657 1.833 ( 2.977 -3.185 -6.264) 7.631 1.876 ( 5.055 -4.613 6.715) 9.588 2.225 ( -2.762 2.693 -6.951) 7.950 2.303 ( 1.908 1.272 3.306) 4.023 2.815 ( -2.836 3.864 -0.146) 4.795 2.928 ( 1.460 2.674 -4.732) 5.628 3.789 ( -9.265 -1.878 0.856) 9.492 4.104 ( -1.891 -2.384 2.134) 3.717 4.601 ( -0.412 -4.948 6.614) 8.270 4.722 ( 10.877 -4.572 -3.546) 12.320 6.311 ( -4.720 2.158 2.311) 5.681 6.476 ( 2.185 3.415 -5.186) 6.583 6.670 ( -5.331 -2.100 -0.299) 5.738 6.907 ( 2.870 5.074 -3.114) 6.609 7.228 ( -2.122 -3.118 -3.355) 5.048 7.485 ( 6.699 3.898 5.138) 9.299 7.762 ( -5.540 3.767 -4.874) 8.284 7.940 ( 2.304 -0.522 -3.041) 3.851 8.487 ( -2.842 2.307 0.055) 3.661 8.523 ( 0.636 0.447 8.429) 8.465 9.339 ( -4.071 -1.630 -9.853) 10.785 9.660 ( 5.810 -0.895 3.780) 6.990 10.088 ( -8.332 -0.514 1.727) 8.525 10.676 ( 14.577 2.906 -11.877) 19.026 11.395 ( -6.437 -7.431 2.880) 10.245 11.725 ( 9.190 -10.347 9.961) 17.051 16.185 ( -3.597 -0.392 -0.302) 3.631 16.378 ( 3.317 -1.679 0.914) 3.829 17.136 ( -1.689 -0.954 1.354) 2.365 17.190 ( 1.623 -1.446 1.883) 2.876 17.561 ( -0.540 1.213 -2.204) 2.572 17.642 ( 2.828 -1.113 0.177) 3.044 18.297 ( -6.757 8.229 -6.883) 12.678 18.474 ( 1.825 4.088 1.649) 4.770 ======================= Grid point 410 (209/250) ======================= q-point: ( 0.33 0.00 -0.55) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -3.673 2.855 -2.280) 5.181 1.624 ( 0.150 3.645 3.162) 4.827 1.915 ( 4.738 -4.309 -3.684) 7.388 1.999 ( 3.212 0.370 2.419) 4.038 2.140 ( -1.656 -1.078 -3.572) 4.082 2.325 ( 1.735 0.217 3.745) 4.134 2.689 ( -3.896 4.852 -4.614) 7.746 2.889 ( 1.803 2.094 -2.157) 3.505 3.745 ( -6.332 -2.097 -0.345) 6.679 4.129 ( -3.529 -2.752 1.813) 4.829 4.710 ( -0.301 -4.746 4.330) 6.432 4.946 ( 13.425 -6.455 4.866) 15.671 6.209 ( -5.009 4.513 -5.554) 8.735 6.372 ( -0.842 5.826 -3.511) 6.854 6.652 ( -3.895 -1.174 -0.982) 4.185 6.790 ( -1.613 4.118 -4.042) 5.992 7.333 ( 4.838 -4.499 3.356) 7.410 7.498 ( 4.291 3.302 3.649) 6.529 7.614 ( -4.773 3.050 -4.978) 7.541 7.928 ( -2.940 -0.325 -5.569) 6.306 8.412 ( -1.555 2.952 0.475) 3.370 8.584 ( 2.447 -0.337 8.922) 9.258 9.288 ( -2.083 -0.974 -9.634) 9.904 9.745 ( 1.445 -2.346 4.697) 5.445 10.041 ( -2.906 -0.371 -1.005) 3.098 10.685 ( 9.361 4.201 -10.510) 14.688 11.470 ( -5.133 -6.327 2.134) 8.422 12.061 ( 9.357 -10.319 11.679) 18.178 16.157 ( -2.381 -0.241 -0.832) 2.533 16.472 ( 3.788 -3.852 4.424) 6.983 17.147 ( -1.542 -1.367 1.552) 2.580 17.241 ( 1.454 -1.191 2.018) 2.757 17.514 ( -1.798 1.395 -3.460) 4.142 17.690 ( 2.362 -0.975 -0.325) 2.576 18.005 ( -7.262 10.505 -11.399) 17.118 18.444 ( 1.791 3.353 4.268) 5.715 ======================= Grid point 411 (210/250) ======================= q-point: (-0.56 0.00 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -2.963 2.108 -2.237) 4.269 1.548 ( -3.226 4.257 3.599) 6.441 1.972 ( 0.689 1.444 -1.906) 2.488 2.041 ( 3.857 -3.824 0.608) 5.465 2.171 ( 1.306 -0.998 0.628) 1.760 2.359 ( 0.898 -0.674 0.946) 1.468 2.554 ( -2.975 3.876 -2.482) 5.480 2.871 ( 1.449 0.771 -2.237) 2.774 3.727 ( -2.625 -1.669 -1.538) 3.470 4.144 ( -3.053 -2.091 1.204) 3.891 4.781 ( -0.754 -1.606 3.428) 3.860 5.249 ( 12.358 -8.433 10.468) 18.259 5.965 ( -6.658 9.699 -15.706) 19.624 6.293 ( 0.083 2.472 2.336) 3.402 6.619 ( -1.533 0.835 -0.209) 1.758 6.731 ( -0.970 -0.025 -3.331) 3.470 7.404 ( -1.274 1.033 4.163) 4.475 7.518 ( 2.287 1.111 1.156) 2.793 7.585 ( 6.545 -1.952 0.412) 6.843 7.833 ( -9.377 0.667 -6.395) 11.370 8.375 ( 0.683 0.976 0.034) 1.192 8.646 ( 1.848 0.334 7.606) 7.834 9.243 ( -0.314 0.174 -7.728) 7.737 9.811 ( -1.548 -3.078 3.695) 5.052 10.025 ( 1.198 0.441 -2.826) 3.102 10.639 ( 3.838 4.165 -6.325) 8.490 11.520 ( -4.135 -3.919 1.225) 5.827 12.330 ( 5.702 -5.648 7.540) 11.012 16.139 ( -1.154 -0.233 -0.910) 1.489 16.625 ( 4.312 -5.146 6.985) 9.688 17.163 ( -0.862 -1.241 1.221) 1.943 17.255 ( -1.603 0.979 0.054) 1.879 17.439 ( -2.956 1.785 -6.257) 7.147 17.685 ( -1.336 2.863 -2.994) 4.353 17.781 ( -0.347 3.215 -3.294) 4.616 18.434 ( 1.959 1.839 3.153) 4.142 ======================= Grid point 412 (211/250) ======================= q-point: (-0.44 0.00 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -0.943 -0.822 0.997) 1.600 1.485 ( -3.490 1.414 8.730) 9.508 1.954 ( -0.248 0.405 -0.228) 0.526 2.052 ( -2.720 3.161 0.251) 4.178 2.243 ( 5.321 -2.563 -5.908) 8.353 2.357 ( 0.338 0.608 0.606) 0.922 2.494 ( -1.290 0.797 3.812) 4.102 2.877 ( 1.161 -1.261 -2.643) 3.150 3.735 ( 1.442 -1.000 -2.421) 2.990 4.150 ( -1.697 -0.955 0.581) 2.032 4.770 ( -3.496 2.204 3.430) 5.371 5.466 ( -2.938 2.351 -1.438) 4.028 5.748 ( 7.220 -0.743 -3.116) 7.899 6.292 ( 1.505 0.247 2.753) 3.147 6.612 ( 2.548 0.408 0.745) 2.686 6.717 ( -1.914 -1.385 -2.367) 3.344 7.415 ( 2.238 -1.132 2.688) 3.677 7.490 ( 0.861 5.029 2.711) 5.777 7.681 ( -11.302 0.248 -5.865) 12.736 7.724 ( 6.077 -3.499 2.919) 7.596 8.384 ( 0.407 -1.451 -1.051) 1.838 8.673 ( 0.520 1.280 5.431) 5.604 9.208 ( 1.751 1.316 -5.012) 5.469 9.848 ( -3.232 -2.649 0.916) 4.278 10.022 ( 4.287 1.464 -3.203) 5.549 10.577 ( -1.320 2.510 -0.327) 2.855 11.529 ( -3.354 -1.240 0.204) 3.581 12.412 ( -0.524 1.510 -0.208) 1.612 16.135 ( 0.171 -0.346 -0.587) 0.702 16.717 ( -2.367 0.725 0.080) 2.477 17.185 ( -0.398 -0.036 -1.040) 1.114 17.215 ( 1.555 -1.887 1.823) 3.050 17.372 ( -0.978 1.412 -0.460) 1.778 17.647 ( 1.390 -0.365 0.895) 1.693 17.764 ( -0.561 -0.366 -0.969) 1.178 18.453 ( 2.354 -0.337 1.368) 2.744 ======================= Grid point 413 (212/250) ======================= q-point: (-0.33 0.00 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.585 -2.905 4.810) 5.650 1.506 ( -3.063 -1.272 13.095) 13.508 1.942 ( -3.328 1.972 -3.871) 5.473 1.963 ( 0.044 0.424 2.155) 2.197 2.206 ( -1.191 3.750 -7.036) 8.062 2.368 ( 1.522 2.198 0.519) 2.724 2.563 ( 2.652 -5.063 6.712) 8.815 2.911 ( 1.547 -2.509 -3.382) 4.486 3.770 ( 5.340 -0.485 -3.086) 6.187 4.148 ( -0.820 -0.225 -0.279) 0.895 4.673 ( -6.158 4.670 4.034) 8.718 5.198 ( -8.164 9.849 -14.123) 19.056 6.005 ( 11.482 -7.488 9.801) 16.851 6.332 ( 1.943 -1.039 3.170) 3.861 6.660 ( 5.468 -0.508 -0.826) 5.553 6.728 ( -0.818 -2.721 0.983) 3.007 7.359 ( -5.942 7.276 1.021) 9.450 7.510 ( 4.850 -2.178 4.729) 7.115 7.590 ( -3.850 -1.997 -3.641) 5.663 7.833 ( 1.872 -2.692 2.787) 4.303 8.421 ( -0.160 -3.062 -0.871) 3.188 8.661 ( -0.759 1.950 2.463) 3.232 9.192 ( 3.954 1.979 -1.647) 4.718 9.839 ( -4.443 -1.288 -3.268) 5.664 10.046 ( 8.189 1.395 -2.234) 8.602 10.524 ( -5.849 0.707 5.020) 7.740 11.498 ( -2.756 0.961 -0.923) 3.061 12.270 ( -6.716 7.976 -7.865) 13.060 16.150 ( 1.749 -0.438 -0.226) 1.818 16.583 ( -6.435 4.804 -5.620) 9.802 17.167 ( -0.665 0.526 -0.717) 1.111 17.272 ( -0.812 0.625 -0.682) 1.231 17.418 ( 4.592 -3.038 5.882) 8.057 17.693 ( 2.293 0.868 -0.117) 2.454 17.807 ( 0.823 -7.088 6.268) 9.497 18.502 ( 2.664 -1.907 -0.871) 3.389 ======================= Grid point 414 (213/250) ======================= q-point: (-0.22 0.00 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -0.879 -2.289 8.038) 8.404 1.552 ( -2.237 -0.495 10.812) 11.052 1.851 ( -2.370 1.044 -6.879) 7.350 1.998 ( -2.114 -0.289 0.084) 2.135 2.102 ( 1.404 1.904 -1.090) 2.605 2.334 ( 0.227 2.534 1.541) 2.974 2.719 ( 3.051 -4.956 6.372) 8.629 2.958 ( 2.376 -2.534 -4.662) 5.814 3.833 ( 8.418 -0.216 -3.501) 9.120 4.134 ( -2.279 -0.052 -1.547) 2.754 4.544 ( -6.318 4.411 5.193) 9.292 4.901 ( -5.746 8.637 -12.871) 16.531 6.250 ( 7.909 -4.520 7.059) 11.524 6.385 ( 1.113 -1.123 3.813) 4.128 6.705 ( 3.822 -0.595 -3.285) 5.075 6.825 ( 2.526 -4.346 4.266) 6.593 7.182 ( -3.993 5.921 1.678) 7.336 7.531 ( -3.621 0.032 2.837) 4.600 7.689 ( 6.837 -4.553 1.155) 8.295 7.880 ( -2.006 -1.760 1.914) 3.284 8.474 ( -0.445 -3.202 0.576) 3.284 8.618 ( -1.501 1.977 -0.053) 2.483 9.218 ( 7.339 1.181 0.978) 7.497 9.772 ( -6.279 0.018 -6.287) 8.885 10.128 ( 13.109 0.565 -2.367) 13.333 10.469 ( -9.589 0.030 7.913) 12.432 11.438 ( -2.173 1.984 -1.983) 3.548 11.963 ( -10.496 10.812 -11.837) 19.162 16.183 ( 3.461 -0.400 -0.221) 3.491 16.427 ( -5.376 3.301 -3.654) 7.291 17.146 ( -0.765 0.858 0.234) 1.173 17.229 ( -1.983 1.122 -1.587) 2.777 17.516 ( 2.199 -1.945 2.339) 3.754 17.662 ( -0.658 1.904 -1.867) 2.747 18.058 ( 5.771 -9.750 13.051) 17.283 18.557 ( 2.871 -2.135 -3.540) 5.034 ======================= Grid point 415 (214/250) ======================= q-point: (-0.11 0.00 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -3.159 -0.799 10.782) 11.263 1.579 ( 0.029 0.478 7.915) 7.929 1.799 ( -1.178 -1.121 -8.769) 8.918 1.891 ( -2.250 3.656 -8.856) 9.841 2.191 ( 2.827 -3.483 7.053) 8.358 2.308 ( 0.986 2.036 2.201) 3.156 2.834 ( 0.789 -2.598 6.193) 6.762 3.001 ( 2.989 -1.761 -5.833) 6.787 3.915 ( 9.506 -0.109 -3.006) 9.971 4.076 ( -7.048 0.525 -1.539) 7.233 4.464 ( -2.861 1.463 4.512) 5.539 4.679 ( -3.064 5.713 -9.472) 11.478 6.389 ( 3.051 -2.184 4.168) 5.608 6.423 ( 1.690 -0.180 2.427) 2.963 6.744 ( 4.830 -0.571 -2.925) 5.676 6.849 ( -7.376 0.572 0.992) 7.465 7.187 ( 9.754 -0.784 6.384) 11.684 7.499 ( -4.847 -0.217 1.423) 5.056 7.823 ( 4.165 -2.875 1.656) 5.325 7.880 ( -2.454 -0.347 1.611) 2.956 8.518 ( -0.780 -1.965 1.829) 2.796 8.575 ( -1.378 0.959 -0.238) 1.696 9.311 ( 10.878 -0.170 1.224) 10.948 9.658 ( -8.439 0.622 -7.305) 11.179 10.268 ( 17.347 -0.110 -4.200) 17.848 10.392 ( -12.248 0.097 8.246) 14.766 11.379 ( -0.992 1.296 -2.470) 2.960 11.623 ( -11.230 8.351 -10.225) 17.332 16.230 ( 4.764 -0.249 -0.720) 4.825 16.326 ( -4.718 1.381 -1.203) 5.061 17.128 ( -0.717 0.589 1.247) 1.554 17.187 ( -1.864 0.598 -1.666) 2.571 17.565 ( 1.035 -1.323 0.583) 1.778 17.615 ( -0.786 1.451 -1.503) 2.232 18.307 ( 3.511 -5.528 12.962) 14.523 18.600 ( 3.411 -1.672 -6.213) 7.282 ======================= Grid point 417 (215/250) ======================= q-point: ( 0.11 0.11 0.45) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -2.341 0.000 8.437) 8.756 1.713 ( 4.630 -0.000 -11.662) 12.548 1.751 ( 4.706 -0.000 6.363) 7.914 1.791 ( 4.210 -0.000 -2.085) 4.698 2.296 ( -0.688 0.000 -0.554) 0.884 2.318 ( 0.061 -0.000 -4.772) 4.773 2.897 ( -1.892 0.000 4.429) 4.816 2.976 ( -0.436 0.000 -7.488) 7.501 3.755 ( -10.119 0.000 3.139) 10.595 4.050 ( -5.554 0.000 7.533) 9.359 4.516 ( 0.493 -0.000 -2.890) 2.932 4.627 ( 13.756 -0.000 -1.723) 13.863 6.346 ( -5.529 0.000 2.190) 5.947 6.530 ( 3.809 -0.000 -4.270) 5.722 6.622 ( -6.726 0.000 1.378) 6.866 6.985 ( 9.971 -0.000 -1.747) 10.123 7.190 ( -10.054 0.000 -7.100) 12.308 7.570 ( 7.055 -0.000 2.083) 7.356 7.867 ( -1.739 0.000 -3.468) 3.880 7.905 ( -0.729 0.000 -1.026) 1.259 8.514 ( -1.223 0.000 3.470) 3.679 8.547 ( -2.415 0.000 3.523) 4.272 9.307 ( -3.248 0.000 -9.042) 9.608 9.651 ( 4.662 -0.000 3.035) 5.563 10.080 ( -7.867 0.000 1.972) 8.111 10.728 ( 16.333 -0.000 -15.099) 22.243 11.254 ( -3.429 0.000 7.922) 8.632 11.511 ( 7.752 -0.000 8.304) 11.360 16.179 ( -3.076 0.000 0.474) 3.113 16.350 ( 2.266 -0.000 -0.651) 2.357 17.121 ( -1.817 0.000 0.927) 2.040 17.160 ( 1.272 -0.000 2.736) 3.017 17.596 ( -0.473 0.000 -0.581) 0.749 17.616 ( 4.427 -0.000 -1.626) 4.716 18.461 ( -4.229 0.000 6.918) 8.108 18.538 ( -1.848 0.000 -12.291) 12.429 ======================= Grid point 418 (216/250) ======================= q-point: ( 0.22 0.11 -0.55) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -2.674 2.472 3.303) 4.916 1.726 ( 5.403 0.287 -7.772) 9.470 1.808 ( 4.670 -0.202 0.358) 4.688 1.895 ( 6.515 -3.780 5.332) 9.228 2.221 ( -2.755 3.810 -7.227) 8.622 2.319 ( -0.051 -1.370 -1.896) 2.340 2.850 ( -3.169 4.008 -0.772) 5.167 2.939 ( -0.564 0.001 -3.566) 3.610 3.690 ( -7.219 -0.875 4.232) 8.413 4.033 ( -8.046 -2.075 9.239) 12.426 4.548 ( 1.749 -3.110 0.651) 3.627 4.796 ( 16.574 -2.268 -2.591) 16.928 6.282 ( -6.226 0.721 -1.545) 6.455 6.520 ( 0.820 2.337 -4.456) 5.098 6.585 ( -3.889 -1.800 0.936) 4.387 6.942 ( -8.944 2.998 -7.664) 12.154 7.186 ( 9.275 -2.521 -1.054) 9.669 7.619 ( 5.475 1.972 0.701) 5.862 7.749 ( -7.138 4.596 -4.897) 9.801 7.906 ( -3.436 -1.625 -1.366) 4.039 8.503 ( -2.460 1.960 1.982) 3.717 8.553 ( 0.349 -1.192 5.417) 5.557 9.264 ( 1.888 -0.283 -9.657) 9.844 9.684 ( -2.630 -0.973 5.438) 6.118 10.042 ( -0.114 0.248 -0.588) 0.648 10.786 ( 11.483 1.268 -16.602) 20.226 11.309 ( 0.518 -2.072 10.332) 10.551 11.711 ( 9.437 -7.392 11.776) 16.804 16.159 ( -1.243 0.160 0.456) 1.334 16.377 ( 1.059 -1.473 1.437) 2.315 17.111 ( -1.983 -0.470 1.880) 2.773 17.196 ( 1.660 -0.963 2.538) 3.182 17.570 ( -1.506 1.184 -1.321) 2.327 17.670 ( 6.295 -0.247 -1.888) 6.577 18.335 ( -6.560 7.563 -7.001) 12.217 18.492 ( -3.132 -1.267 -1.899) 3.875 ======================= Grid point 419 (217/250) ======================= q-point: ( 0.33 0.11 -0.55) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -2.923 3.693 -0.372) 4.725 1.715 ( 3.191 3.813 -2.549) 5.587 1.889 ( 5.528 -3.305 -1.287) 6.568 2.045 ( 3.749 -0.196 1.267) 3.962 2.092 ( -1.364 -0.162 -4.066) 4.291 2.337 ( 0.068 -1.288 -0.839) 1.539 2.711 ( -4.731 5.241 -4.111) 8.171 2.920 ( 0.131 1.041 -1.472) 1.808 3.674 ( -2.985 -1.201 3.952) 5.096 4.043 ( -6.682 -3.297 7.931) 10.882 4.654 ( 2.439 -4.757 3.787) 6.552 5.018 ( 16.315 -4.390 0.098) 16.895 6.169 ( -7.746 2.114 -8.577) 11.749 6.434 ( -1.899 4.567 -3.084) 5.829 6.589 ( -1.805 -1.530 -1.445) 2.773 6.767 ( -8.999 1.377 -5.246) 10.507 7.346 ( 10.423 -3.141 0.589) 10.901 7.565 ( -7.657 4.221 -3.193) 9.308 7.639 ( 4.392 1.634 0.892) 4.770 7.858 ( -6.598 0.336 -2.098) 6.931 8.437 ( -3.564 2.303 0.991) 4.358 8.617 ( 1.403 -1.820 4.685) 5.218 9.257 ( 5.392 0.741 -9.011) 10.527 9.701 ( -5.130 -2.819 6.841) 9.003 10.048 ( 3.777 0.927 -2.147) 4.443 10.774 ( 6.812 2.703 -15.164) 16.842 11.403 ( 1.651 -1.975 9.469) 9.813 12.026 ( 8.913 -10.316 11.906) 18.100 16.149 ( 0.270 0.676 0.297) 0.786 16.452 ( 1.776 -4.107 5.055) 6.751 17.114 ( -2.078 -1.085 2.561) 3.471 17.243 ( 1.268 -1.185 1.988) 2.639 17.510 ( -2.909 2.028 -3.337) 4.869 17.725 ( 6.531 0.667 -2.284) 6.951 18.065 ( -6.779 9.851 -9.936) 15.547 18.469 ( -3.635 -0.521 -0.223) 3.679 ======================= Grid point 420 (218/250) ======================= q-point: ( 0.44 0.11 -0.55) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -2.455 3.414 -0.744) 4.270 1.633 ( 0.348 6.056 -0.876) 6.129 1.959 ( -3.427 -0.558 -3.302) 4.792 2.024 ( 5.221 -2.734 -0.463) 5.912 2.191 ( 4.899 -1.663 2.965) 5.963 2.352 ( 0.076 -0.783 -1.668) 1.845 2.563 ( -4.557 3.513 -3.446) 6.707 2.890 ( -0.073 1.498 -1.752) 2.307 3.702 ( 1.693 -0.866 2.780) 3.368 4.077 ( -4.200 -3.236 6.268) 8.210 4.766 ( 2.039 -2.628 3.878) 5.109 5.278 ( 12.160 -6.754 5.084) 14.810 5.956 ( -7.656 6.140 -16.306) 19.032 6.332 ( -2.071 2.583 -1.539) 3.651 6.587 ( -1.486 -1.574 -2.236) 3.112 6.680 ( -5.701 -0.919 -0.610) 5.807 7.429 ( -1.464 2.000 1.579) 2.939 7.496 ( 2.928 -3.186 -4.863) 6.509 7.682 ( 3.102 -0.485 3.772) 4.907 7.749 ( -4.463 3.672 -0.584) 5.809 8.369 ( -4.449 0.752 -0.065) 4.513 8.671 ( 0.095 -1.421 2.508) 2.884 9.264 ( 7.493 1.968 -6.752) 10.276 9.737 ( -4.812 -3.442 6.538) 8.818 10.062 ( 4.765 1.105 -2.932) 5.703 10.701 ( 2.081 3.789 -11.511) 12.296 11.488 ( 1.922 -0.834 8.468) 8.723 12.304 ( 4.900 -7.288 7.020) 11.243 16.145 ( 1.410 0.882 0.433) 1.719 16.595 ( 2.348 -5.784 7.536) 9.786 17.131 ( -1.607 -1.803 3.073) 3.909 17.253 ( -2.084 1.186 -0.458) 2.441 17.418 ( -2.422 1.828 -5.516) 6.295 17.745 ( 4.855 3.371 -3.418) 6.828 17.831 ( -2.346 5.725 -4.213) 7.485 18.437 ( -3.747 -0.888 -1.409) 4.100 ======================= Grid point 421 (219/250) ======================= q-point: (-0.44 0.11 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -0.094 0.680 2.270) 2.372 1.548 ( 0.144 4.068 4.141) 5.806 1.925 ( -3.611 -1.036 -1.055) 3.902 2.066 ( -2.894 0.990 0.927) 3.196 2.278 ( 9.508 1.104 -5.477) 11.028 2.355 ( 0.324 -1.699 1.878) 2.553 2.483 ( -3.717 -0.017 -0.669) 3.776 2.860 ( -0.356 0.189 -2.521) 2.553 3.760 ( 5.822 -0.178 1.348) 5.979 4.117 ( -2.389 -2.072 4.792) 5.741 4.799 ( -0.421 1.841 3.049) 3.587 5.435 ( -6.079 0.519 -2.058) 6.439 5.788 ( 7.732 -1.018 -7.224) 10.630 6.296 ( -0.872 -0.792 -1.330) 1.777 6.608 ( -0.725 -3.028 -0.663) 3.183 6.658 ( -2.288 -1.068 0.958) 2.701 7.426 ( 0.726 -1.577 1.123) 2.068 7.519 ( -5.260 -1.956 -4.532) 7.213 7.592 ( -2.345 4.616 -1.889) 5.511 7.799 ( 7.513 0.808 7.866) 10.907 8.327 ( -4.671 -1.813 -0.700) 5.059 8.687 ( -1.627 -0.655 -0.228) 1.769 9.282 ( 8.637 2.963 -3.647) 9.833 9.766 ( -4.941 -2.574 3.979) 6.846 10.087 ( 6.098 0.791 -2.711) 6.721 10.596 ( -2.371 3.329 -6.033) 7.287 11.542 ( 2.156 1.304 7.771) 8.170 12.407 ( -1.463 -0.583 -0.881) 1.804 16.154 ( 2.681 0.723 0.781) 2.885 16.684 ( -4.439 -0.564 0.998) 4.585 17.181 ( -1.194 1.277 -1.832) 2.532 17.197 ( 2.072 -3.938 5.043) 6.725 17.379 ( -0.208 0.231 -0.213) 0.377 17.695 ( 2.126 2.599 0.267) 3.368 17.774 ( 2.046 2.212 -2.674) 4.029 18.419 ( -3.441 -2.600 -3.173) 5.354 ======================= Grid point 422 (220/250) ======================= q-point: (-0.33 0.11 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 2.656 -1.907 5.382) 6.297 1.538 ( -0.152 0.935 9.077) 9.127 1.903 ( -4.537 -0.791 0.045) 4.605 1.990 ( -2.260 2.772 0.770) 3.658 2.243 ( 0.902 3.879 -5.863) 7.088 2.389 ( -0.638 1.024 -4.083) 4.257 2.535 ( 4.198 -5.088 5.719) 8.730 2.862 ( 0.159 -2.216 -3.986) 4.563 3.837 ( 8.970 0.424 -0.182) 8.982 4.134 ( -2.534 -0.496 2.910) 3.891 4.728 ( -3.423 5.320 4.086) 7.531 5.198 ( -9.655 7.493 -12.982) 17.830 6.010 ( 9.677 -8.258 5.955) 14.046 6.321 ( 0.578 -2.556 -1.222) 2.891 6.654 ( -2.945 -3.342 2.963) 5.350 6.697 ( 5.235 -2.121 -0.785) 5.702 7.376 ( -10.481 3.627 1.410) 11.180 7.481 ( -2.137 -3.659 -6.190) 7.501 7.589 ( 9.320 1.081 1.786) 9.551 7.863 ( 1.834 1.138 6.040) 6.414 8.340 ( -2.634 -3.964 0.852) 4.835 8.660 ( -2.997 0.087 -2.768) 4.081 9.307 ( 9.050 3.498 -0.215) 9.705 9.751 ( -5.841 -1.138 -0.836) 6.009 10.145 ( 9.132 0.123 -1.901) 9.329 10.492 ( -6.231 1.768 -0.465) 6.494 11.554 ( 2.402 3.904 7.394) 8.700 12.287 ( -7.374 6.389 -8.213) 12.754 16.183 ( 4.067 0.458 0.985) 4.209 16.559 ( -7.974 3.744 -4.705) 9.987 17.163 ( -0.346 0.123 0.081) 0.376 17.269 ( -0.969 0.366 -0.698) 1.250 17.453 ( 5.687 -2.784 7.120) 9.528 17.720 ( -3.058 -0.902 0.769) 3.280 17.766 ( 7.918 -1.476 3.367) 8.730 18.431 ( -2.927 -4.641 -5.089) 7.484 ======================= Grid point 423 (221/250) ======================= q-point: (-0.22 0.11 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 1.963 -1.406 7.080) 7.480 1.573 ( -0.472 -0.652 7.634) 7.676 1.835 ( -3.570 2.433 -0.881) 4.409 1.974 ( -1.326 -0.237 0.295) 1.380 2.155 ( 1.340 3.261 -1.485) 3.825 2.342 ( -1.862 0.165 -3.659) 4.109 2.695 ( 3.980 -4.682 5.270) 8.095 2.899 ( 1.166 -3.585 -5.908) 7.009 3.924 ( 10.555 0.753 -1.496) 10.687 4.099 ( -5.211 0.719 0.053) 5.261 4.609 ( -4.102 6.089 7.363) 10.398 4.929 ( -5.561 7.425 -12.383) 15.472 6.243 ( 3.719 -6.510 6.463) 9.898 6.375 ( 1.824 -2.694 -1.179) 3.460 6.704 ( 0.765 -2.276 2.692) 3.607 6.797 ( 3.762 -3.121 -1.101) 5.011 7.239 ( -3.529 3.413 3.629) 6.105 7.462 ( -4.672 -1.840 -5.776) 7.653 7.717 ( 9.367 -2.110 2.584) 9.944 7.866 ( -1.829 0.305 3.101) 3.613 8.404 ( -1.413 -4.092 3.556) 5.602 8.606 ( -3.360 0.326 -3.789) 5.075 9.352 ( 9.820 2.749 2.289) 10.451 9.678 ( -6.831 0.298 -5.496) 8.773 10.253 ( 11.670 -0.887 -1.640) 11.818 10.401 ( -8.184 0.690 2.370) 8.548 11.524 ( 2.464 6.126 7.374) 9.898 11.993 ( -10.147 10.717 -11.859) 18.932 16.228 ( 4.951 0.277 0.858) 5.033 16.404 ( -6.423 2.934 -3.581) 7.917 17.156 ( -0.207 0.713 0.907) 1.172 17.224 ( -2.009 1.400 -1.574) 2.911 17.541 ( 3.400 0.044 2.739) 4.366 17.668 ( -1.983 1.543 -2.953) 3.877 18.016 ( 7.853 -9.405 13.267) 18.059 18.468 ( -2.393 -5.761 -7.209) 9.534 ======================= Grid point 424 (222/250) ======================= q-point: (-0.11 0.11 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -1.539 -0.274 9.814) 9.937 1.619 ( 2.014 -1.193 2.286) 3.272 1.770 ( -0.527 2.032 -0.469) 2.151 1.897 ( -1.475 3.821 -7.938) 8.933 2.200 ( 2.875 -2.370 6.545) 7.532 2.316 ( -0.948 -0.677 -3.468) 3.658 2.813 ( 0.613 -3.399 5.090) 6.151 2.950 ( 2.001 -3.565 -7.123) 8.213 3.977 ( -3.843 1.369 1.066) 4.217 4.034 ( 4.172 0.848 -4.126) 5.929 4.520 ( -1.986 4.451 9.300) 10.499 4.723 ( -1.472 6.406 -9.928) 11.906 6.358 ( -2.636 -3.349 5.374) 6.859 6.440 ( 4.095 -2.040 -2.153) 5.056 6.756 ( -0.939 -0.582 2.756) 2.969 6.825 ( 1.716 0.150 -3.578) 3.971 7.275 ( 7.171 -2.151 6.868) 10.160 7.406 ( -7.016 -1.627 -5.627) 9.140 7.843 ( 6.472 -1.318 1.512) 6.775 7.858 ( -2.079 -1.074 0.577) 2.411 8.471 ( -1.588 -3.046 4.973) 6.044 8.559 ( -2.617 -0.234 -2.240) 3.453 9.436 ( 9.939 0.895 2.971) 10.412 9.559 ( -6.744 1.322 -8.384) 10.841 10.287 ( -12.288 -0.197 6.183) 13.758 10.422 ( 16.780 -0.912 -6.924) 18.175 11.464 ( 1.038 6.784 7.722) 10.331 11.650 ( -7.644 10.874 -10.144) 16.720 16.270 ( 0.698 0.418 0.911) 1.221 16.304 ( -0.842 1.368 -2.344) 2.842 17.144 ( -0.263 0.967 1.853) 2.107 17.178 ( -1.276 1.114 -1.290) 2.129 17.573 ( 1.519 -0.077 1.434) 2.090 17.616 ( -0.832 0.995 -2.732) 3.025 18.289 ( 3.945 -7.081 12.431) 14.841 18.513 ( -1.076 -5.879 -9.246) 11.010 ======================= Grid point 427 (223/250) ======================= q-point: ( 0.22 0.22 -0.55) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -2.537 0.000 2.777) 3.762 1.729 ( 5.717 -0.000 -9.666) 11.230 1.896 ( 5.127 -0.000 0.596) 5.161 1.934 ( 6.468 -0.000 6.516) 9.181 2.233 ( -3.010 0.000 -4.876) 5.730 2.239 ( -1.057 0.000 -8.662) 8.726 2.870 ( -3.128 0.000 -6.920) 7.594 2.891 ( -1.739 0.000 2.733) 3.240 3.653 ( -3.293 0.000 6.889) 7.636 3.972 ( -9.947 0.000 13.885) 17.081 4.554 ( 4.804 -0.000 0.153) 4.806 4.942 ( 18.045 -0.000 -3.923) 18.466 6.193 ( -8.482 0.000 -6.434) 10.646 6.525 ( -5.427 0.000 7.119) 8.952 6.551 ( 3.610 -0.000 -9.369) 10.040 6.790 ( -14.596 0.000 -9.358) 17.339 7.295 ( 14.022 -0.000 -0.938) 14.053 7.655 ( -0.184 0.000 -3.445) 3.450 7.695 ( -8.572 0.000 -6.890) 10.998 7.842 ( -4.746 0.000 5.452) 7.228 8.503 ( -4.768 0.000 2.368) 5.323 8.556 ( 1.317 -0.000 1.813) 2.241 9.278 ( 8.302 -0.000 -8.624) 11.971 9.647 ( -6.332 0.000 6.809) 9.298 10.071 ( 4.649 -0.000 -1.444) 4.869 10.811 ( 6.943 -0.000 -17.157) 18.509 11.393 ( 5.968 -0.000 12.964) 14.272 11.792 ( 9.325 -0.000 12.543) 15.629 16.167 ( 1.480 -0.000 1.377) 2.022 16.373 ( -0.296 0.000 2.890) 2.905 17.098 ( -1.672 0.000 2.103) 2.687 17.215 ( 1.540 -0.000 2.568) 2.994 17.548 ( -3.752 0.000 -0.925) 3.865 17.741 ( 9.535 -0.000 -3.665) 10.215 18.327 ( -6.188 0.000 -15.803) 16.971 18.384 ( -7.572 0.000 4.078) 8.601 ======================= Grid point 428 (224/250) ======================= q-point: ( 0.33 0.22 -0.55) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -2.277 3.692 0.992) 4.450 1.759 ( 4.234 -0.947 -7.806) 8.931 1.909 ( 1.571 1.373 0.405) 2.125 2.072 ( 5.442 -3.801 5.911) 8.888 2.092 ( -1.747 4.879 -7.513) 9.127 2.268 ( -0.660 -4.172 -6.348) 7.625 2.745 ( -3.579 5.643 -3.893) 7.733 2.909 ( -1.165 -1.230 -0.132) 1.699 3.681 ( 1.793 -0.272 7.443) 7.660 3.961 ( -8.630 -2.531 14.099) 16.723 4.645 ( 6.502 -2.757 2.349) 7.443 5.124 ( 16.663 -2.126 -3.585) 17.177 6.058 ( -9.459 0.650 -10.284) 13.988 6.457 ( -5.102 3.649 -4.797) 7.897 6.543 ( -2.013 -1.216 -3.649) 4.341 6.631 ( -9.651 -1.558 -3.664) 10.440 7.424 ( 9.184 -0.654 -4.545) 10.268 7.536 ( -6.383 3.584 -1.217) 7.421 7.638 ( -4.351 -2.052 -1.347) 4.996 7.838 ( 0.093 1.044 4.667) 4.783 8.429 ( -6.070 2.261 0.645) 6.509 8.592 ( -0.622 -2.580 0.054) 2.655 9.334 ( 11.585 1.541 -7.362) 13.813 9.638 ( -4.683 -1.756 8.195) 9.601 10.105 ( 4.749 1.007 -1.816) 5.183 10.783 ( 3.393 0.817 -16.332) 16.701 11.505 ( 7.006 1.667 12.659) 14.564 12.009 ( 8.057 -7.183 11.439) 15.728 16.190 ( 3.243 1.378 1.949) 4.027 16.420 ( 0.571 -3.467 5.644) 6.649 17.095 ( -1.363 -0.323 2.433) 2.807 17.247 ( 1.031 -0.663 2.017) 2.360 17.485 ( -4.965 1.232 -2.668) 5.769 17.817 ( 10.097 1.177 -4.258) 11.021 18.100 ( -7.505 7.374 -11.709) 15.742 18.364 ( -7.863 -3.432 -0.834) 8.619 ======================= Grid point 429 (225/250) ======================= q-point: ( 0.44 0.22 -0.55) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -1.749 4.344 0.863) 4.762 1.734 ( 2.581 4.552 -5.773) 7.792 1.878 ( -5.584 -1.070 -1.392) 5.854 2.029 ( 1.171 -0.246 -2.454) 2.730 2.215 ( 4.100 -4.045 5.819) 8.188 2.309 ( 1.640 -3.268 -6.593) 7.539 2.589 ( -2.301 6.486 -3.001) 7.508 2.898 ( -1.429 0.799 -0.938) 1.887 3.757 ( 6.187 0.069 6.333) 8.854 4.004 ( -5.680 -3.938 11.546) 13.457 4.777 ( 6.169 -2.510 3.424) 7.489 5.310 ( 10.006 -3.725 -0.922) 10.717 5.886 ( -6.757 2.641 -14.170) 15.919 6.299 ( -7.602 1.103 -8.862) 11.728 6.521 ( -4.640 -1.501 0.013) 4.876 6.601 ( -2.697 -2.133 -0.547) 3.482 7.397 ( -3.818 -0.101 -4.807) 6.140 7.482 ( -4.047 0.041 -0.772) 4.120 7.660 ( 3.318 -0.039 1.465) 3.627 7.864 ( 6.532 1.805 5.761) 8.895 8.321 ( -7.872 1.577 -0.492) 8.043 8.621 ( -2.690 -2.943 -1.857) 4.398 9.389 ( 12.424 3.031 -5.469) 13.909 9.675 ( -3.377 -2.385 8.342) 9.310 10.120 ( 4.363 1.272 -2.003) 4.966 10.703 ( -0.353 2.171 -14.262) 14.430 11.597 ( 6.807 2.238 12.502) 14.410 12.250 ( 3.975 -7.297 6.234) 10.388 16.203 ( 3.800 2.115 2.237) 4.891 16.548 ( 1.526 -5.559 7.285) 9.290 17.105 ( -1.006 -1.108 3.265) 3.592 17.253 ( -1.811 1.242 0.091) 2.198 17.395 ( -2.757 1.090 -4.642) 5.508 17.856 ( 5.013 4.228 -3.837) 7.598 17.877 ( -1.089 4.443 -6.787) 8.185 18.325 ( -8.343 -2.908 -3.221) 9.404 ======================= Grid point 430 (226/250) ======================= q-point: ( 0.56 0.22 -0.55) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.889 2.018 3.897) 4.477 1.648 ( 1.943 4.934 -1.456) 5.499 1.844 ( -5.846 -2.008 0.210) 6.185 2.031 ( -3.608 -1.137 -0.429) 3.808 2.317 ( -1.402 -1.939 0.205) 2.401 2.378 ( 5.691 -3.892 -1.917) 7.156 2.466 ( 3.014 5.598 -2.622) 6.877 2.849 ( -2.513 1.289 -2.273) 3.625 3.855 ( 8.871 0.547 4.592) 10.004 4.069 ( -3.294 -3.300 7.980) 9.242 4.856 ( 3.787 1.449 2.439) 4.732 5.355 ( -8.432 1.022 -4.399) 9.565 5.803 ( 7.282 -2.244 -7.929) 10.997 6.217 ( -5.181 -3.105 -6.452) 8.838 6.521 ( -4.142 -3.341 3.084) 6.151 6.627 ( 0.864 -2.426 -1.610) 3.037 7.372 ( -0.868 -2.019 -5.238) 5.680 7.412 ( -9.561 -0.384 1.465) 9.680 7.687 ( 7.330 3.092 0.201) 7.958 7.941 ( 6.823 2.479 6.642) 9.839 8.234 ( -6.854 -1.579 0.359) 7.043 8.618 ( -4.371 -2.434 -3.926) 6.360 9.436 ( 11.943 3.789 -3.084) 12.904 9.704 ( -4.437 -1.460 5.631) 7.316 10.146 ( 5.404 0.355 -1.036) 5.514 10.581 ( -3.720 2.748 -10.367) 11.352 11.677 ( 6.670 3.194 12.726) 14.719 12.357 ( -2.217 -2.218 -1.598) 3.520 16.221 ( 4.663 1.883 2.477) 5.605 16.626 ( -4.706 -0.845 0.901) 4.865 17.168 ( 1.042 -3.284 4.824) 5.928 17.195 ( 0.431 0.843 -0.019) 0.947 17.375 ( 0.530 -0.770 -0.129) 0.944 17.743 ( -2.818 2.794 -0.373) 3.985 17.868 ( 7.755 3.999 -4.449) 9.794 18.274 ( -8.478 -3.899 -5.879) 11.029 ======================= Grid point 431 (227/250) ======================= q-point: (-0.33 0.22 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 4.091 -0.806 6.599) 7.806 1.599 ( 0.318 2.465 1.266) 2.789 1.833 ( -4.757 -2.067 4.240) 6.699 1.992 ( -4.344 0.325 0.920) 4.452 2.291 ( 0.018 2.484 -2.496) 3.522 2.363 ( -3.616 1.134 -4.957) 6.240 2.554 ( 10.446 -2.346 2.082) 10.907 2.801 ( -2.550 -1.196 -4.596) 5.391 3.957 ( 10.243 0.862 2.330) 10.540 4.102 ( -3.604 -0.981 3.799) 5.328 4.825 ( 0.417 5.669 3.852) 6.867 5.145 ( -10.867 4.756 -9.642) 15.287 5.980 ( 7.670 -7.435 2.367) 10.941 6.230 ( -2.202 -5.515 -5.490) 8.087 6.578 ( -2.261 -4.436 5.481) 7.405 6.689 ( 3.726 -3.163 -3.422) 5.966 7.322 ( -7.879 0.841 2.356) 8.267 7.385 ( -0.551 -2.303 -5.542) 6.027 7.727 ( 9.324 2.404 1.614) 9.763 7.928 ( -1.818 3.263 1.332) 3.965 8.267 ( 0.096 -3.647 5.703) 6.770 8.582 ( -5.474 -1.773 -5.564) 8.004 9.476 ( 10.769 4.017 -0.378) 11.500 9.677 ( -6.127 -0.226 0.387) 6.143 10.215 ( 6.802 -0.949 0.775) 6.911 10.452 ( -5.383 2.082 -6.296) 8.541 11.732 ( 6.503 5.228 13.332) 15.728 12.264 ( -7.572 4.151 -8.592) 12.182 16.256 ( 5.507 1.479 2.604) 6.268 16.513 ( -8.000 3.035 -4.381) 9.613 17.173 ( 0.903 0.503 0.789) 1.301 17.255 ( -1.000 -0.422 -0.806) 1.352 17.486 ( 6.404 -4.979 9.186) 12.255 17.689 ( -3.386 0.750 1.856) 3.934 17.870 ( 8.418 2.350 -1.020) 8.799 18.244 ( -8.103 -6.279 -8.478) 13.302 ======================= Grid point 432 (228/250) ======================= q-point: (-0.22 0.22 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 3.659 -0.739 6.301) 7.324 1.570 ( -2.392 -0.313 -0.612) 2.489 1.845 ( -2.597 0.458 8.929) 9.310 1.966 ( -1.184 -0.180 0.650) 1.362 2.228 ( 1.635 3.957 -1.222) 4.452 2.288 ( -3.275 -0.023 -5.624) 6.509 2.693 ( 4.855 -2.755 2.873) 6.278 2.808 ( -0.014 -4.126 -7.129) 8.237 4.047 ( -1.585 -0.064 0.409) 1.638 4.056 ( 5.065 2.637 -1.030) 5.803 4.734 ( -1.091 7.027 9.158) 11.595 4.930 ( -5.532 5.093 -9.299) 11.959 6.176 ( 1.418 -6.793 5.571) 8.899 6.303 ( 1.198 -6.132 -5.771) 8.505 6.666 ( -0.354 -4.433 4.693) 6.465 6.765 ( 2.637 -3.035 -4.333) 5.911 7.263 ( -2.824 0.601 5.349) 6.078 7.378 ( -0.211 -0.146 -5.975) 5.981 7.795 ( 2.383 -0.325 2.872) 3.746 7.863 ( 1.765 1.413 -3.164) 3.888 8.367 ( 1.260 -2.671 8.754) 9.239 8.527 ( -5.478 -1.647 -5.727) 8.095 9.518 ( 9.302 3.469 2.055) 10.138 9.596 ( -6.205 0.723 -4.961) 7.977 10.278 ( -5.332 -0.285 4.115) 6.741 10.389 ( 7.355 -0.660 -6.796) 10.035 11.742 ( 4.808 7.881 14.222) 16.956 12.013 ( -8.206 8.683 -11.848) 16.826 16.298 ( 3.748 1.341 2.801) 4.868 16.372 ( -4.590 2.490 -4.183) 6.690 17.179 ( 0.992 0.871 1.606) 2.079 17.220 ( -1.655 1.035 -1.790) 2.648 17.599 ( 1.975 1.285 3.504) 4.222 17.654 ( -1.480 0.405 -1.236) 1.970 18.021 ( 9.080 -6.209 10.376) 15.121 18.251 ( -7.030 -8.478 -10.809) 15.431 ======================= Grid point 433 (229/250) ======================= q-point: (-0.11 0.22 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -2.476 0.206 4.850) 5.449 1.586 ( 1.009 -2.952 -1.528) 3.474 1.846 ( 1.364 2.740 8.230) 8.781 1.930 ( 0.737 3.506 -4.682) 5.895 2.228 ( 2.152 -0.389 4.707) 5.191 2.250 ( -1.796 -1.786 -6.199) 6.697 2.771 ( -1.068 -3.395 1.377) 3.816 2.869 ( 2.687 -4.162 -6.430) 8.117 3.926 ( -9.305 2.356 -1.283) 9.684 4.115 ( 6.479 1.534 -1.710) 6.875 4.657 ( -0.447 6.566 12.801) 14.393 4.777 ( 1.088 5.232 -8.013) 9.632 6.282 ( -3.187 -4.250 4.443) 6.925 6.401 ( 2.722 -5.074 -5.190) 7.752 6.736 ( -2.316 -0.909 1.195) 2.760 6.806 ( 1.889 -3.566 -3.202) 5.152 7.297 ( -1.460 -1.282 0.921) 2.151 7.350 ( 4.102 0.529 1.378) 4.360 7.781 ( -5.697 -2.596 -2.918) 6.907 7.909 ( 7.045 0.411 -1.713) 7.262 8.456 ( 0.557 -1.696 9.496) 9.663 8.489 ( -3.950 -2.172 -3.293) 5.582 9.468 ( -6.350 1.807 -7.485) 9.980 9.588 ( 9.079 1.865 2.083) 9.500 10.190 ( -10.867 0.576 3.336) 11.382 10.518 ( 14.101 -2.766 -7.616) 16.263 11.627 ( -8.025 9.773 3.864) 13.223 11.789 ( 6.115 10.193 1.287) 11.956 16.249 ( -5.314 1.270 -0.804) 5.523 16.358 ( 5.242 1.530 0.525) 5.486 17.165 ( -1.139 1.263 1.087) 2.019 17.194 ( 1.122 1.199 0.261) 1.663 17.575 ( -2.473 0.342 -0.271) 2.512 17.639 ( 2.615 1.643 -0.636) 3.153 18.238 ( -2.790 -7.436 2.155) 8.230 18.323 ( 2.213 -8.759 -3.384) 9.647 ======================= Grid point 437 (230/250) ======================= q-point: ( 0.33 0.33 -0.55) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -1.822 0.000 1.665) 2.468 1.730 ( -0.338 0.000 -5.808) 5.818 1.932 ( 0.702 -0.000 -4.890) 4.941 2.094 ( -4.854 0.000 -6.549) 8.152 2.109 ( 1.956 -0.000 8.694) 8.911 2.180 ( 4.471 -0.000 -9.656) 10.641 2.771 ( 0.146 -0.000 -4.733) 4.735 2.875 ( -1.974 0.000 2.227) 2.976 3.762 ( 7.101 -0.000 7.776) 10.531 3.915 ( -9.345 0.000 17.572) 19.902 4.715 ( 9.278 -0.000 2.339) 9.569 5.247 ( 14.341 -0.000 -5.752) 15.451 5.921 ( -8.906 0.000 -9.944) 13.350 6.336 ( -12.884 0.000 -17.030) 21.355 6.496 ( -6.291 0.000 9.310) 11.236 6.553 ( -0.414 0.000 -7.676) 7.687 7.406 ( -3.171 0.000 -7.843) 8.460 7.492 ( -10.669 0.000 0.876) 10.704 7.649 ( 11.054 -0.000 3.011) 11.457 7.889 ( 3.004 -0.000 5.218) 6.021 8.388 ( -7.598 0.000 0.475) 7.613 8.534 ( -3.359 0.000 -3.446) 4.812 9.453 ( 13.695 -0.000 -6.207) 15.036 9.628 ( -2.297 0.000 9.562) 9.834 10.151 ( 3.816 -0.000 -1.419) 4.071 10.737 ( 0.492 -0.000 -16.108) 16.116 11.668 ( 8.748 -0.000 12.782) 15.489 12.065 ( 6.342 -0.000 9.793) 11.667 16.270 ( 6.148 -0.000 3.744) 7.198 16.413 ( 0.363 -0.000 6.457) 6.467 17.094 ( -0.518 0.000 2.048) 2.112 17.260 ( 0.603 -0.000 1.943) 2.034 17.427 ( -5.794 0.000 -3.136) 6.588 17.918 ( 11.087 -0.000 -5.327) 12.300 18.014 ( -9.305 0.000 -17.463) 19.787 18.245 ( -9.091 0.000 4.056) 9.955 ======================= Grid point 438 (231/250) ======================= q-point: ( 0.44 0.33 -0.55) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -1.130 3.972 1.870) 4.534 1.714 ( -4.177 -2.808 -3.994) 6.425 1.870 ( -0.316 4.250 -3.879) 5.763 2.005 ( -3.693 0.421 -4.244) 5.642 2.184 ( -1.654 -3.722 6.767) 7.898 2.234 ( 4.909 -3.854 -9.003) 10.955 2.707 ( 3.609 6.286 -1.726) 7.451 2.879 ( -2.067 -0.608 0.321) 2.179 3.874 ( 7.150 0.691 8.519) 11.144 3.939 ( -4.358 -3.240 13.794) 14.824 4.839 ( 9.205 -1.247 3.069) 9.783 5.342 ( 6.034 -0.550 -6.254) 8.707 5.798 ( -4.491 0.347 -9.536) 10.547 6.139 ( -11.442 -1.102 -13.785) 17.949 6.459 ( -7.245 -0.269 5.903) 9.349 6.538 ( 0.310 -2.125 -6.464) 6.812 7.345 ( -1.442 0.115 -5.234) 5.430 7.398 ( -9.166 -0.290 1.730) 9.333 7.772 ( 10.992 1.668 2.369) 11.367 7.963 ( 5.961 -0.973 6.401) 8.801 8.270 ( -9.018 2.958 -0.884) 9.532 8.505 ( -5.531 -3.499 -4.494) 7.939 9.548 ( 13.407 2.121 -5.076) 14.492 9.660 ( -2.264 -0.819 9.370) 9.674 10.174 ( 3.613 0.849 -0.701) 3.777 10.648 ( -2.640 0.922 -14.978) 15.237 11.786 ( 8.674 2.831 12.669) 15.612 12.201 ( 2.693 -4.793 5.031) 7.452 16.317 ( 5.896 3.435 4.398) 8.118 16.507 ( 1.957 -4.630 6.597) 8.294 17.101 ( -0.173 -0.272 2.475) 2.496 17.258 ( -1.942 1.109 0.574) 2.309 17.357 ( -2.543 -0.140 -3.566) 4.383 17.825 ( -8.475 1.366 -13.007) 15.585 17.986 ( 10.359 2.126 -5.646) 11.988 18.182 ( -9.653 -1.354 1.942) 9.939 ======================= Grid point 439 (232/250) ======================= q-point: (-0.44 -0.67 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.253 2.548 5.123) 5.857 1.681 ( -4.400 -0.455 -5.566) 7.110 1.798 ( -0.451 2.152 2.532) 3.353 1.956 ( -5.174 -1.225 -1.991) 5.678 2.248 ( -4.143 -4.035 4.297) 7.205 2.313 ( 3.621 -3.616 -7.398) 8.995 2.649 ( 8.157 6.207 0.399) 10.258 2.833 ( -3.694 1.917 -2.200) 4.708 3.955 ( -1.393 -1.649 12.734) 12.916 4.043 ( 7.351 -1.366 2.145) 7.778 4.946 ( 7.143 0.891 2.774) 7.715 5.273 ( -9.019 3.075 -6.945) 11.791 5.791 ( 6.008 -3.360 -5.842) 9.028 6.036 ( -8.460 -4.675 -9.016) 13.218 6.443 ( -5.777 -2.816 6.812) 9.366 6.572 ( 2.813 -3.343 -6.782) 8.068 7.325 ( -6.741 -0.090 1.473) 6.901 7.331 ( 1.129 -0.646 -3.805) 4.021 7.834 ( 8.686 3.370 2.500) 9.646 8.065 ( 1.978 3.477 2.187) 4.559 8.149 ( -3.245 -2.505 3.708) 5.528 8.484 ( -6.834 -3.744 -5.376) 9.467 9.611 ( 12.094 3.404 -3.718) 13.103 9.670 ( -5.043 -0.149 6.297) 8.069 10.205 ( 4.926 0.386 1.181) 5.080 10.521 ( -5.244 1.611 -12.301) 13.469 11.877 ( 8.417 3.351 13.306) 16.097 12.278 ( -2.879 -2.589 -2.333) 4.520 16.337 ( 6.098 3.268 4.507) 8.257 16.576 ( -3.316 -0.224 0.013) 3.323 17.147 ( 1.352 -2.922 4.832) 5.806 17.214 ( -0.010 0.786 -0.417) 0.890 17.365 ( 1.608 -1.668 0.938) 2.499 17.704 ( -6.085 -1.110 -7.236) 9.519 18.004 ( 7.950 3.932 -4.250) 9.835 18.104 ( -9.423 -1.226 -2.027) 9.716 ======================= Grid point 440 (233/250) ======================= q-point: (-0.33 -0.67 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 3.645 -0.007 7.759) 8.572 1.599 ( -4.839 0.953 -5.652) 7.501 1.812 ( 0.394 -0.647 8.192) 8.227 1.922 ( -5.078 -1.988 -0.973) 5.539 2.271 ( -4.787 -1.998 2.670) 5.834 2.343 ( 1.807 0.423 -4.364) 4.742 2.676 ( 9.368 1.661 0.029) 9.514 2.736 ( -4.109 1.739 -5.363) 6.976 4.011 ( -4.664 -2.178 8.531) 9.964 4.129 ( 9.645 1.290 -3.293) 10.272 4.966 ( 4.375 5.584 4.424) 8.360 5.068 ( -10.486 3.331 -5.715) 12.398 5.941 ( 6.426 -6.084 0.843) 8.889 6.039 ( -5.341 -8.077 -7.671) 12.353 6.494 ( -4.416 -5.014 7.290) 9.889 6.648 ( 5.704 -3.582 -7.104) 9.789 7.270 ( -5.723 0.022 3.458) 6.686 7.358 ( 5.103 -0.866 -5.042) 7.226 7.851 ( -0.946 3.224 4.838) 5.890 7.954 ( 1.364 3.469 -4.976) 6.217 8.279 ( 5.280 -2.728 9.450) 11.163 8.444 ( -7.548 -3.179 -6.167) 10.252 9.615 ( -7.485 0.706 1.360) 7.640 9.650 ( 10.289 3.718 -2.069) 11.134 10.268 ( 3.513 -0.170 3.453) 4.929 10.394 ( -3.787 0.819 -9.302) 10.076 11.957 ( 7.425 4.379 14.398) 16.781 12.202 ( -7.051 2.129 -8.865) 11.525 16.369 ( 5.353 2.782 4.749) 7.677 16.472 ( -5.492 3.164 -5.005) 8.076 17.196 ( 0.875 -0.172 1.740) 1.955 17.232 ( -0.357 -0.547 -1.132) 1.307 17.499 ( 6.780 -5.807 9.395) 12.960 17.655 ( -4.467 -1.552 -3.664) 5.982 17.986 ( -0.802 0.696 -1.115) 1.540 18.030 ( -1.821 -0.242 -6.387) 6.646 ======================= Grid point 441 (234/250) ======================= q-point: (-0.22 -0.67 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -5.418 -0.160 -3.681) 6.552 1.528 ( 1.320 -0.432 5.293) 5.473 1.882 ( 1.170 -0.888 9.837) 9.946 1.927 ( -0.990 -2.530 0.549) 2.771 2.243 ( -3.673 0.710 -0.417) 3.764 2.310 ( 1.659 3.426 -0.101) 3.808 2.667 ( -4.172 -2.526 -7.072) 8.591 2.759 ( 7.570 -0.662 -1.259) 7.703 3.984 ( -7.554 0.392 0.090) 7.565 4.175 ( 7.472 1.817 -3.314) 8.374 4.874 ( -4.988 4.708 3.872) 7.876 4.957 ( 3.541 5.814 2.691) 7.320 6.080 ( -2.371 -7.576 -1.254) 8.037 6.149 ( 2.297 -8.128 -3.165) 9.020 6.580 ( -2.721 -5.797 4.949) 8.093 6.727 ( 4.377 -2.354 -6.382) 8.089 7.250 ( -2.317 -0.784 5.022) 5.586 7.410 ( 7.482 0.646 -3.802) 8.417 7.740 ( -10.481 1.164 0.414) 10.554 7.961 ( 8.609 2.541 -2.939) 9.445 8.392 ( -5.490 -2.607 -2.637) 6.625 8.411 ( 2.705 -1.886 7.876) 8.538 9.514 ( -7.961 0.954 -3.513) 8.753 9.682 ( 8.924 3.259 -0.223) 9.503 10.224 ( -8.141 1.336 0.045) 8.250 10.422 ( 8.363 -2.426 -3.443) 9.364 11.931 ( -7.790 7.009 1.873) 10.645 12.072 ( 6.025 5.408 2.038) 8.349 16.313 ( -6.215 2.532 -1.962) 6.992 16.432 ( 7.036 2.709 2.256) 7.870 17.207 ( -1.351 0.779 -1.817) 2.394 17.216 ( 1.516 0.219 1.949) 2.479 17.610 ( -4.370 0.412 -1.446) 4.621 17.672 ( 4.644 -1.447 3.913) 6.243 17.955 ( -10.449 -7.223 -8.638) 15.361 18.087 ( 9.254 -2.561 4.949) 10.802 ======================= Grid point 442 (235/250) ======================= q-point: (-0.11 0.33 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -4.819 -1.680 -3.858) 6.398 1.568 ( -1.152 -1.587 5.113) 5.476 1.942 ( 2.896 0.703 6.483) 7.135 1.956 ( 1.367 0.404 -1.735) 2.245 2.188 ( -2.205 0.744 -2.671) 3.543 2.291 ( 2.685 1.786 3.642) 4.865 2.666 ( -3.431 -4.561 -5.671) 8.045 2.834 ( 4.134 -1.855 -2.188) 5.032 3.867 ( -7.974 2.227 -2.805) 8.741 4.181 ( 1.787 1.868 -1.889) 3.202 4.780 ( -2.447 3.859 3.475) 5.740 4.926 ( 8.583 7.455 7.484) 13.611 6.169 ( -3.273 -7.186 -4.157) 8.924 6.281 ( 0.348 -6.510 -1.730) 6.745 6.668 ( -2.778 -4.554 1.897) 5.662 6.752 ( 1.601 -1.043 -5.583) 5.901 7.302 ( 2.310 -1.476 6.159) 6.741 7.437 ( 6.057 3.018 -0.105) 6.768 7.645 ( -7.988 -2.371 -3.508) 9.041 7.971 ( 3.101 1.638 -4.775) 5.925 8.380 ( -3.152 -3.333 -2.074) 5.035 8.509 ( 2.781 -0.657 10.682) 11.057 9.395 ( -6.362 1.276 -7.504) 9.920 9.720 ( 7.143 2.387 1.783) 7.739 10.117 ( -7.962 1.135 0.439) 8.055 10.551 ( 9.624 -3.737 -5.666) 11.777 11.682 ( -9.760 7.975 -3.610) 13.110 12.077 ( 9.488 8.342 10.499) 16.427 16.213 ( -4.662 1.313 -1.775) 5.159 16.465 ( 6.014 3.203 3.716) 7.761 17.175 ( -0.831 1.002 -0.396) 1.361 17.234 ( 1.546 0.695 1.988) 2.612 17.547 ( -3.655 0.595 -1.880) 4.153 17.697 ( 2.075 1.917 0.338) 2.845 17.960 ( -8.807 -9.995 -11.851) 17.830 18.289 ( 6.850 -5.581 8.061) 11.961 ======================= Grid point 447 (236/250) ======================= q-point: (-0.56 -0.56 0.45) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.162 -0.000 2.135) 2.141 1.604 ( -7.294 0.000 -0.826) 7.341 1.902 ( 1.213 -0.000 -5.060) 5.204 1.935 ( -5.329 0.000 -3.563) 6.411 2.139 ( -5.512 0.000 7.222) 9.085 2.223 ( 6.782 -0.000 -8.514) 10.885 2.817 ( 6.459 -0.000 -3.151) 7.186 2.845 ( -3.389 0.000 2.477) 4.198 3.897 ( -8.567 0.000 19.043) 20.882 4.028 ( 12.944 -0.000 0.671) 12.962 4.943 ( 9.498 -0.000 3.971) 10.294 5.338 ( -0.631 0.000 -10.097) 10.116 5.730 ( -2.014 0.000 -4.272) 4.723 5.955 ( -8.968 0.000 -12.842) 15.664 6.397 ( -10.711 0.000 8.886) 13.917 6.501 ( 4.828 -0.000 -10.529) 11.583 7.324 ( -6.638 0.000 2.537) 7.107 7.327 ( 1.872 -0.000 -4.272) 4.665 7.927 ( 11.971 -0.000 2.767) 12.287 8.025 ( 3.825 -0.000 7.752) 8.645 8.211 ( -8.570 0.000 -1.275) 8.665 8.375 ( -6.997 0.000 -6.212) 9.357 9.667 ( -3.923 0.000 8.664) 9.511 9.678 ( 12.234 -0.000 -5.008) 13.219 10.219 ( 3.809 -0.000 1.310) 4.028 10.551 ( -4.872 0.000 -14.246) 15.056 11.954 ( 8.120 -0.000 10.710) 13.440 12.193 ( 0.361 -0.000 2.407) 2.434 16.459 ( 7.387 -0.000 4.575) 8.689 16.499 ( 1.870 -0.000 6.033) 6.316 17.111 ( 0.490 -0.000 1.879) 1.942 17.234 ( -4.539 0.000 -1.831) 4.894 17.330 ( 0.630 -0.000 -0.166) 0.652 17.663 ( -9.536 0.000 -15.160) 17.910 18.086 ( 10.248 -0.000 -6.401) 12.083 18.097 ( -9.505 0.000 5.743) 11.105 ======================= Grid point 448 (237/250) ======================= q-point: (-0.44 -0.56 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.162 2.010 5.528) 5.884 1.575 ( -4.886 -2.221 -1.233) 5.507 1.855 ( -0.266 2.163 -0.356) 2.209 1.886 ( -3.605 0.250 -1.368) 3.863 2.144 ( -5.986 -3.796 5.237) 8.813 2.279 ( 5.877 -2.352 -6.982) 9.424 2.785 ( -2.928 3.072 2.204) 4.783 2.846 ( 4.411 2.448 -3.688) 6.249 3.918 ( -7.317 -2.285 16.156) 17.882 4.147 ( 11.861 0.011 -5.249) 12.971 5.054 ( 7.914 0.473 5.373) 9.577 5.209 ( -8.505 3.412 -9.846) 13.451 5.757 ( 2.954 -4.039 -0.924) 5.089 5.849 ( -6.107 -2.153 -8.813) 10.936 6.353 ( -8.655 -2.520 8.760) 12.570 6.543 ( 8.232 -1.914 -9.448) 12.676 7.277 ( -4.508 0.259 2.516) 5.169 7.344 ( 4.987 0.000 -3.984) 6.383 7.985 ( 1.003 4.212 5.406) 6.926 8.072 ( -2.616 2.062 -2.701) 4.289 8.173 ( 7.285 -2.466 6.856) 10.303 8.314 ( -7.553 -3.776 -6.205) 10.479 9.640 ( -7.401 0.506 5.886) 9.470 9.754 ( 10.308 1.788 -5.028) 11.608 10.271 ( 4.637 0.254 3.898) 6.063 10.425 ( -6.479 0.697 -11.855) 13.528 12.058 ( 7.115 1.665 9.807) 12.230 12.197 ( -3.718 -1.322 -3.138) 5.042 16.486 ( 5.240 3.602 4.836) 7.989 16.555 ( -0.622 0.606 -1.184) 1.469 17.141 ( 1.652 -1.598 3.580) 4.254 17.197 ( -1.807 -1.436 -1.875) 2.974 17.369 ( 3.312 -1.635 3.841) 5.329 17.536 ( -7.802 -2.713 -11.553) 14.202 18.014 ( -9.720 1.309 5.549) 11.269 18.136 ( 9.205 2.397 -6.361) 11.443 ======================= Grid point 449 (238/250) ======================= q-point: (-0.33 -0.56 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -3.290 -0.903 2.660) 4.326 1.538 ( -1.495 1.404 2.566) 3.285 1.839 ( -2.475 -0.930 0.967) 2.815 1.865 ( 1.497 -0.034 4.575) 4.814 2.180 ( -4.873 -4.096 3.985) 7.510 2.348 ( 4.412 -1.957 -3.845) 6.171 2.672 ( -7.347 3.477 -2.115) 8.399 2.837 ( 6.952 3.424 -2.447) 8.126 3.946 ( -6.790 -2.151 8.537) 11.118 4.217 ( 8.380 0.408 -8.720) 12.101 4.997 ( -10.401 3.211 -3.754) 11.515 5.145 ( 8.786 3.662 6.205) 11.362 5.804 ( -7.461 -6.178 -6.209) 11.506 5.914 ( 6.674 -5.661 1.665) 8.909 6.388 ( -4.353 -4.755 7.591) 9.959 6.635 ( 8.667 -2.592 -8.120) 12.156 7.245 ( -2.725 0.398 3.152) 4.185 7.396 ( 7.879 -0.554 -4.119) 8.908 7.845 ( -11.435 3.985 1.905) 12.258 8.068 ( 7.715 3.430 -0.903) 8.491 8.273 ( -6.757 -3.990 -5.485) 9.574 8.338 ( 6.148 -2.720 8.365) 10.732 9.551 ( -9.790 1.225 2.055) 10.078 9.789 ( 8.390 2.492 -4.804) 9.984 10.275 ( -6.604 1.523 -4.105) 7.924 10.363 ( 4.497 -0.970 1.224) 4.760 12.095 ( -6.382 2.515 -3.532) 7.715 12.161 ( 5.029 0.340 4.937) 7.056 16.429 ( -5.806 4.019 -3.148) 7.731 16.535 ( 7.131 2.889 2.319) 8.036 17.194 ( 0.259 -0.963 1.967) 2.205 17.215 ( 0.091 -1.464 -2.014) 2.492 17.485 ( -6.123 -5.341 -8.817) 11.990 17.518 ( 6.858 -5.037 8.576) 12.081 17.903 ( -9.738 2.265 4.386) 10.918 18.145 ( 8.423 3.653 -4.274) 10.127 ======================= Grid point 450 (239/250) ======================= q-point: (-0.22 -0.56 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -5.372 0.776 -3.968) 6.724 1.540 ( -3.965 0.256 7.793) 8.747 1.865 ( 1.545 -2.380 0.008) 2.837 1.943 ( 3.172 -1.826 8.144) 8.929 2.213 ( -2.685 -1.761 3.914) 5.063 2.385 ( 2.573 2.107 1.955) 3.858 2.537 ( -6.447 -0.822 -8.757) 10.906 2.845 ( 5.697 2.234 -1.809) 6.381 3.912 ( -6.944 0.062 -0.348) 6.953 4.228 ( 3.409 0.854 -7.415) 8.206 4.861 ( -6.740 1.412 1.074) 6.970 5.188 ( 9.870 6.479 10.221) 15.616 5.837 ( -6.405 -9.487 -8.574) 14.302 6.089 ( 4.937 -5.277 4.223) 8.370 6.481 ( -0.893 -5.244 5.162) 7.413 6.715 ( 5.868 -1.678 -7.372) 9.571 7.250 ( 0.220 -0.680 5.215) 5.264 7.480 ( 8.674 -0.946 -4.011) 9.603 7.674 ( -9.968 3.542 1.598) 10.699 8.048 ( -0.496 2.410 -4.103) 4.784 8.273 ( 0.115 -2.682 -2.883) 3.939 8.470 ( 3.963 -1.668 9.843) 10.741 9.430 ( -9.404 1.043 -2.006) 9.672 9.806 ( 7.103 2.221 -3.754) 8.335 10.158 ( -7.426 1.166 -2.769) 8.011 10.451 ( 5.251 -1.773 2.366) 6.026 11.905 ( -10.248 4.710 -8.399) 14.062 12.246 ( 6.744 1.389 8.213) 10.718 16.286 ( -5.663 3.040 -3.590) 7.362 16.580 ( 7.781 2.918 4.174) 9.299 17.197 ( -0.453 0.473 -1.046) 1.234 17.230 ( 0.145 -1.051 0.148) 1.071 17.481 ( -5.645 -5.811 -9.402) 12.411 17.701 ( 4.929 -2.881 4.930) 7.543 17.785 ( -8.929 1.653 2.432) 9.401 18.183 ( 8.869 0.533 2.317) 9.182 ======================= Grid point 451 (240/250) ======================= q-point: (-0.11 -0.56 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -4.189 -0.409 -2.901) 5.112 1.525 ( -5.494 -1.470 5.667) 8.029 1.929 ( 2.415 -2.162 -0.545) 3.287 2.029 ( 2.737 -0.271 5.127) 5.818 2.200 ( -0.632 2.617 1.612) 3.138 2.360 ( 1.110 1.916 1.715) 2.800 2.520 ( -2.860 -4.837 -5.323) 7.740 2.856 ( 3.363 0.773 -2.136) 4.058 3.816 ( -5.705 1.690 -3.781) 7.050 4.199 ( -0.893 1.173 -3.260) 3.577 4.806 ( -3.024 0.777 2.705) 4.131 5.220 ( 11.297 8.211 12.629) 18.829 5.908 ( -5.829 -10.975 -12.628) 17.717 6.220 ( 2.014 -3.376 4.340) 5.856 6.579 ( -0.444 -4.205 2.428) 4.876 6.743 ( 2.756 -0.074 -6.165) 6.753 7.326 ( 3.179 -2.429 7.188) 8.227 7.526 ( -6.537 -1.225 -1.458) 6.809 7.569 ( 7.118 3.937 -0.189) 8.136 7.951 ( -6.838 0.887 -6.833) 9.708 8.328 ( 3.593 -1.596 -0.532) 3.967 8.569 ( 2.387 -1.077 9.958) 10.296 9.315 ( -6.262 0.587 -5.771) 8.536 9.825 ( 5.246 1.969 -1.090) 5.709 10.063 ( -5.617 0.743 -1.320) 5.818 10.547 ( 4.671 -3.025 -1.049) 5.663 11.681 ( -8.732 5.349 -5.416) 11.584 12.311 ( 6.390 3.319 7.987) 10.754 16.185 ( -3.642 1.503 -2.212) 4.518 16.619 ( 6.527 3.884 5.662) 9.473 17.180 ( -0.025 0.539 -0.955) 1.097 17.248 ( -0.592 -0.940 0.789) 1.362 17.470 ( -4.669 -3.257 -7.856) 9.702 17.700 ( -6.691 -1.239 -1.152) 6.901 17.758 ( 1.812 -0.230 -1.008) 2.086 18.319 ( 6.999 -2.912 6.210) 9.800 ======================= Grid point 457 (241/250) ======================= q-point: (-0.44 -0.44 0.45) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -5.028 0.000 4.366) 6.659 1.566 ( 1.543 -0.000 4.355) 4.620 1.834 ( -3.052 0.000 1.418) 3.366 1.897 ( 0.991 -0.000 -0.287) 1.032 2.065 ( -6.524 0.000 5.973) 8.845 2.287 ( 5.518 -0.000 -6.511) 8.535 2.767 ( -5.782 0.000 1.491) 5.972 2.904 ( 3.962 -0.000 -3.316) 5.166 3.894 ( -6.645 0.000 13.510) 15.056 4.217 ( 9.073 -0.000 -11.055) 14.302 5.090 ( -10.721 0.000 -10.837) 15.244 5.167 ( 6.521 -0.000 6.813) 9.431 5.756 ( 3.087 -0.000 5.107) 5.968 5.757 ( -2.013 0.000 -6.341) 6.653 6.297 ( -4.420 0.000 9.201) 10.207 6.583 ( 10.135 -0.000 -8.931) 13.509 7.258 ( -2.261 0.000 2.565) 3.419 7.389 ( 7.102 -0.000 -3.833) 8.071 7.948 ( -12.765 0.000 1.252) 12.827 8.142 ( -2.267 0.000 0.303) 2.287 8.197 ( 4.580 -0.000 -3.789) 5.944 8.243 ( 6.913 -0.000 5.939) 9.114 9.579 ( -10.130 0.000 4.462) 11.070 9.834 ( 7.426 -0.000 -6.943) 10.167 10.313 ( -7.024 0.000 -9.025) 11.436 10.344 ( 4.278 -0.000 6.478) 7.763 12.125 ( -5.376 0.000 -5.195) 7.476 12.161 ( 4.362 -0.000 5.164) 6.760 16.531 ( -2.592 0.000 -1.787) 3.148 16.589 ( 2.886 -0.000 -1.931) 3.473 17.145 ( -1.638 0.000 -1.386) 2.146 17.168 ( 3.724 -0.000 3.824) 5.338 17.405 ( -4.803 0.000 -7.585) 8.977 17.419 ( 4.960 -0.000 7.610) 9.084 17.956 ( -9.578 0.000 6.382) 11.509 18.222 ( 8.767 -0.000 -6.436) 10.876 ======================= Grid point 458 (242/250) ======================= q-point: (-0.33 -0.44 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -3.375 0.494 3.244) 4.708 1.583 ( -2.225 1.242 8.141) 8.530 1.824 ( 0.649 0.171 1.624) 1.757 1.906 ( 1.392 0.279 4.355) 4.581 2.076 ( -4.361 -4.414 5.182) 8.084 2.327 ( 3.244 -2.304 -5.863) 7.086 2.673 ( -5.805 4.388 0.664) 7.307 2.915 ( 3.222 0.931 -2.797) 4.366 3.886 ( -6.032 -0.903 6.220) 8.712 4.240 ( 5.717 -0.081 -12.731) 13.956 4.915 ( -10.562 1.740 -5.454) 12.013 5.260 ( 3.273 -2.331 3.130) 5.093 5.696 ( -0.564 2.331 0.242) 2.411 5.901 ( 6.485 -5.346 6.911) 10.881 6.344 ( 1.331 -2.198 8.147) 8.543 6.655 ( 8.635 -1.266 -8.388) 12.105 7.253 ( -0.358 0.432 3.476) 3.521 7.454 ( 8.072 -0.306 -3.486) 8.798 7.792 ( -11.861 2.568 0.587) 12.150 8.079 ( -7.270 -1.085 -4.472) 8.604 8.249 ( 8.638 2.106 0.711) 8.920 8.383 ( 5.965 -3.199 7.067) 9.786 9.472 ( -11.591 1.016 2.316) 11.864 9.853 ( 4.818 0.482 -8.691) 9.948 10.202 ( -6.358 1.145 -4.612) 7.938 10.419 ( 3.225 -0.396 7.618) 8.282 12.014 ( -7.920 1.715 -8.771) 11.942 12.222 ( 2.466 -1.537 2.819) 4.049 16.421 ( -6.039 4.197 -5.509) 9.189 16.613 ( 2.463 -1.498 -2.800) 4.019 17.150 ( -0.732 -2.200 -2.103) 3.130 17.229 ( 4.271 1.177 3.566) 5.687 17.351 ( -2.919 -1.099 -4.182) 5.216 17.560 ( 7.152 -3.700 11.332) 13.901 17.871 ( -8.963 1.806 5.716) 10.783 18.262 ( 8.222 2.152 -5.111) 9.917 ======================= Grid point 459 (243/250) ======================= q-point: (-0.22 -0.44 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -2.839 2.475 0.061) 3.767 1.546 ( -6.863 2.173 11.486) 13.555 1.864 ( 3.479 -1.170 0.965) 3.795 1.960 ( 1.223 -1.966 4.365) 4.941 2.161 ( -0.399 -4.823 6.583) 8.170 2.367 ( -1.340 -3.799 -6.682) 7.802 2.529 ( -2.040 6.806 1.371) 7.237 2.915 ( 3.037 1.546 -2.323) 4.125 3.846 ( -5.095 0.084 -1.377) 5.278 4.223 ( 1.908 0.468 -10.007) 10.198 4.796 ( -8.160 -0.603 0.542) 8.201 5.348 ( 1.612 -4.215 -0.381) 4.529 5.676 ( 2.079 1.655 2.922) 3.950 6.092 ( 6.549 -4.155 8.139) 11.243 6.449 ( 3.846 -2.718 5.518) 7.255 6.716 ( 5.804 -1.309 -8.005) 9.975 7.276 ( 1.561 -0.337 5.514) 5.740 7.505 ( 0.906 0.223 -1.734) 1.969 7.670 ( -2.497 1.363 0.397) 2.872 7.982 ( -7.853 0.827 -5.373) 9.550 8.313 ( 8.095 0.860 0.093) 8.142 8.513 ( 3.063 -2.290 8.103) 8.960 9.341 ( -10.165 1.048 -0.577) 10.235 9.856 ( 4.396 -0.283 -8.648) 9.705 10.102 ( -5.768 1.713 -1.140) 6.124 10.488 ( 1.705 -0.763 7.058) 7.301 11.832 ( -9.273 3.499 -9.917) 14.020 12.296 ( 1.477 -3.301 1.667) 3.981 16.269 ( -5.172 3.356 -4.228) 7.476 16.660 ( 2.145 -2.311 -2.313) 3.911 17.175 ( -0.575 -2.581 -3.159) 4.120 17.235 ( 3.001 3.174 1.659) 4.673 17.342 ( -1.873 -1.910 -1.326) 2.985 17.731 ( 3.115 -2.501 7.501) 8.498 17.771 ( -5.417 3.046 4.517) 7.683 18.296 ( 8.412 1.439 -0.345) 8.541 ======================= Grid point 460 (244/250) ======================= q-point: (-0.11 -0.44 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -2.087 2.212 0.448) 3.074 1.494 ( -6.387 1.232 10.743) 12.558 1.924 ( 2.353 -1.389 0.674) 2.814 2.017 ( -1.206 -2.937 1.298) 3.430 2.258 ( 2.746 -0.333 2.817) 3.948 2.344 ( -3.456 -1.894 -6.949) 7.988 2.469 ( 1.821 1.767 5.398) 5.964 2.900 ( 2.225 1.970 -2.461) 3.859 3.778 ( -2.543 1.140 -4.370) 5.183 4.185 ( -0.830 0.576 -4.471) 4.584 4.763 ( -5.543 -2.162 3.009) 6.667 5.428 ( -0.246 -4.447 -1.829) 4.815 5.702 ( 5.323 1.240 1.741) 5.736 6.230 ( 3.783 -1.744 6.218) 7.485 6.550 ( 3.578 -2.064 2.701) 4.936 6.743 ( 2.751 -0.108 -6.005) 6.606 7.352 ( 3.043 -2.362 6.782) 7.800 7.456 ( -4.592 0.359 0.504) 4.633 7.687 ( 4.315 0.589 0.602) 4.396 7.845 ( -7.992 2.324 -6.385) 10.490 8.374 ( 5.770 0.716 -0.661) 5.852 8.603 ( 1.042 -1.812 8.327) 8.585 9.239 ( -5.378 0.053 -3.751) 6.557 9.877 ( 4.327 -0.061 -5.918) 7.331 10.020 ( -4.249 0.884 -0.062) 4.340 10.541 ( 0.023 -1.360 4.434) 4.638 11.643 ( -7.678 3.194 -6.605) 10.619 12.370 ( 0.524 -3.138 0.636) 3.245 16.171 ( -2.656 1.675 -2.160) 3.811 16.705 ( 0.365 -2.021 -1.303) 2.432 17.192 ( -0.789 -1.304 -2.333) 2.786 17.218 ( 2.843 2.409 1.034) 3.868 17.356 ( -1.510 -2.047 -0.609) 2.616 17.678 ( -3.659 2.488 2.912) 5.297 17.785 ( 0.979 1.339 1.188) 2.040 18.384 ( 7.048 -0.610 3.605) 7.940 ======================= Grid point 467 (245/250) ======================= q-point: (-0.33 -0.33 0.45) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -1.464 0.000 6.272) 6.441 1.592 ( -5.634 0.000 8.767) 10.421 1.862 ( 3.743 -0.000 1.937) 4.214 1.952 ( 1.704 -0.000 6.664) 6.878 2.009 ( -3.270 0.000 5.692) 6.565 2.289 ( -0.436 0.000 -7.940) 7.952 2.683 ( -2.662 0.000 3.190) 4.155 2.930 ( 2.070 -0.000 -2.959) 3.611 3.843 ( -4.527 0.000 1.401) 4.739 4.231 ( 4.162 -0.000 -12.835) 13.493 4.792 ( -10.163 0.000 -6.238) 11.925 5.204 ( -6.379 0.000 -1.074) 6.469 5.789 ( 7.365 -0.000 1.980) 7.626 5.978 ( 8.885 -0.000 16.354) 18.612 6.403 ( 5.967 -0.000 7.173) 9.330 6.686 ( 6.674 -0.000 -8.730) 10.988 7.279 ( 0.828 -0.000 4.681) 4.753 7.517 ( 6.270 -0.000 -1.555) 6.460 7.684 ( -12.045 0.000 -0.303) 12.049 7.997 ( -2.589 0.000 -5.225) 5.831 8.369 ( 6.809 -0.000 2.140) 7.137 8.432 ( 5.157 -0.000 6.116) 8.000 9.368 ( -11.980 0.000 1.912) 12.131 9.841 ( 2.203 -0.000 -10.984) 11.203 10.146 ( -4.668 0.000 -1.522) 4.910 10.475 ( 0.764 -0.000 9.538) 9.568 11.910 ( -8.101 0.000 -9.933) 12.817 12.200 ( -1.794 0.000 -3.210) 3.677 16.371 ( -7.152 0.000 -6.125) 9.417 16.556 ( -0.966 0.000 -7.028) 7.094 17.128 ( 0.375 -0.000 -0.832) 0.912 17.306 ( -0.687 0.000 -2.942) 3.022 17.342 ( 7.081 -0.000 5.247) 8.813 17.650 ( 5.022 -0.000 14.609) 15.449 17.830 ( -6.054 0.000 5.621) 8.261 18.339 ( 8.029 -0.000 -5.273) 9.605 ======================= Grid point 468 (246/250) ======================= q-point: (-0.22 -0.33 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -1.441 3.329 4.453) 5.744 1.560 ( -7.387 0.888 12.069) 14.178 1.902 ( 3.521 0.320 1.008) 3.677 1.962 ( -0.122 0.964 4.036) 4.152 2.108 ( 1.651 -5.822 8.499) 10.433 2.247 ( -3.948 -2.310 -9.231) 10.302 2.645 ( 0.824 4.711 4.789) 6.768 2.943 ( 2.463 0.027 -2.657) 3.623 3.801 ( -2.214 0.265 -3.110) 3.827 4.208 ( 2.268 0.659 -10.171) 10.442 4.684 ( -8.561 -1.524 -2.004) 8.923 5.159 ( -8.897 -5.899 -6.230) 12.361 5.865 ( 10.981 3.849 7.596) 13.896 6.163 ( 7.178 -1.781 14.549) 16.321 6.510 ( 8.196 -0.321 5.002) 9.607 6.714 ( 4.790 -1.066 -8.516) 9.829 7.300 ( -2.464 -0.317 5.812) 6.321 7.520 ( -1.484 2.588 1.377) 3.285 7.626 ( -2.625 -2.850 0.423) 3.897 7.949 ( 0.746 2.191 -5.863) 6.304 8.418 ( 6.220 1.827 1.338) 6.620 8.528 ( 2.053 -2.440 5.869) 6.680 9.254 ( -9.414 0.613 0.488) 9.447 9.830 ( 3.620 -1.360 -10.308) 11.010 10.082 ( -4.575 1.583 0.051) 4.841 10.517 ( -1.670 -0.338 9.751) 9.899 11.750 ( -8.378 2.746 -10.739) 13.894 12.190 ( -4.241 -5.097 -5.979) 8.928 16.251 ( -4.965 2.489 -4.227) 6.979 16.554 ( -2.369 -4.398 -6.922) 8.537 17.138 ( 0.660 -0.969 -1.371) 1.804 17.286 ( -0.928 -0.140 -2.013) 2.221 17.403 ( 6.506 3.708 5.371) 9.215 17.710 ( -5.933 -0.770 6.049) 8.507 17.851 ( 5.276 1.720 10.805) 12.147 18.393 ( 8.143 0.653 -2.802) 8.637 ======================= Grid point 469 (247/250) ======================= q-point: (-0.11 -0.33 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -1.267 3.778 4.609) 6.093 1.523 ( -5.659 2.066 13.424) 14.714 1.935 ( 0.850 -1.100 -0.202) 1.405 1.960 ( -0.648 0.146 0.842) 1.072 2.203 ( -3.705 -3.529 -7.614) 9.174 2.272 ( 2.306 -4.695 4.864) 7.143 2.597 ( 2.827 5.605 6.079) 8.738 2.943 ( 2.249 1.551 -2.817) 3.925 3.767 ( 1.264 0.759 -4.727) 4.951 4.171 ( 0.336 0.766 -5.210) 5.277 4.653 ( -7.193 -3.724 2.319) 8.425 5.167 ( -8.314 -9.550 -11.629) 17.192 5.948 ( 12.280 5.603 10.703) 17.226 6.287 ( 3.538 -0.212 8.764) 9.453 6.605 ( 7.337 0.620 1.465) 7.508 6.744 ( 3.225 -0.343 -4.243) 5.341 7.303 ( -6.669 -4.069 4.156) 8.850 7.493 ( 3.201 2.715 3.742) 5.623 7.643 ( -4.405 -1.604 1.048) 4.804 7.883 ( 2.417 4.417 -4.008) 6.436 8.446 ( 4.099 1.821 -0.478) 4.510 8.604 ( 0.038 -2.359 5.838) 6.296 9.178 ( -3.369 -0.236 -1.535) 3.710 9.867 ( 4.480 -1.823 -8.765) 10.011 10.010 ( -2.573 1.493 1.018) 3.144 10.536 ( -4.024 -0.393 8.419) 9.339 11.580 ( -6.807 2.042 -7.860) 10.596 12.227 ( -5.663 -7.902 -7.217) 12.108 16.169 ( -1.459 1.527 -1.801) 2.775 16.577 ( -4.289 -5.294 -6.455) 9.385 17.158 ( 0.328 -1.255 -1.512) 1.992 17.274 ( -0.810 -0.420 -1.189) 1.499 17.412 ( 4.707 4.442 6.077) 8.878 17.682 ( -2.656 -0.199 1.902) 3.273 17.876 ( 2.912 5.654 7.561) 9.880 18.464 ( 6.957 0.168 0.533) 6.980 ======================= Grid point 477 (248/250) ======================= q-point: (-0.22 -0.22 0.45) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -0.838 0.000 5.907) 5.966 1.526 ( -8.083 0.000 10.674) 13.390 1.920 ( 0.874 -0.000 -2.289) 2.450 2.067 ( 2.629 -0.000 7.261) 7.722 2.069 ( 0.358 -0.000 7.962) 7.971 2.138 ( -3.351 0.000 -8.498) 9.135 2.727 ( 1.575 -0.000 6.444) 6.633 2.958 ( 3.482 -0.000 -3.264) 4.773 3.782 ( 1.318 -0.000 -4.641) 4.825 4.197 ( 1.962 -0.000 -8.195) 8.427 4.576 ( -6.747 0.000 -2.640) 7.245 4.973 ( -10.793 0.000 -6.410) 12.553 6.048 ( 12.213 -0.000 6.194) 13.694 6.280 ( 3.699 -0.000 15.355) 15.794 6.644 ( 12.374 -0.000 5.851) 13.687 6.705 ( 3.876 -0.000 -9.192) 9.976 7.241 ( -11.425 0.000 3.626) 11.987 7.560 ( -3.577 0.000 5.531) 6.587 7.597 ( 4.933 -0.000 3.501) 6.049 7.971 ( 3.310 -0.000 -6.689) 7.463 8.501 ( 4.223 -0.000 1.943) 4.648 8.534 ( 0.383 -0.000 3.489) 3.510 9.183 ( -5.443 0.000 0.731) 5.492 9.819 ( 5.626 -0.000 -9.610) 11.136 10.050 ( -4.095 0.000 0.206) 4.100 10.527 ( -4.717 0.000 10.701) 11.694 11.647 ( -7.486 0.000 -11.279) 13.537 12.031 ( -8.330 0.000 -10.322) 13.264 16.212 ( -3.170 0.000 -3.189) 4.496 16.461 ( -2.479 0.000 -5.375) 5.920 17.131 ( 0.444 -0.000 -0.780) 0.897 17.262 ( -1.383 0.000 -2.012) 2.442 17.519 ( 5.395 -0.000 2.179) 5.818 17.658 ( -6.335 0.000 4.148) 7.572 18.004 ( 7.230 -0.000 15.346) 16.964 18.464 ( 8.040 -0.000 -3.969) 8.966 ======================= Grid point 478 (249/250) ======================= q-point: (-0.11 -0.22 0.45) 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 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -3.456 2.957 8.262) 9.431 1.540 ( -3.752 -0.481 9.647) 10.362 1.899 ( -1.121 0.492 -5.459) 5.594 2.027 ( -2.515 0.692 0.156) 2.614 2.078 ( 0.650 0.019 -1.710) 1.830 2.236 ( 2.201 -4.945 6.462) 8.429 2.740 ( 2.323 3.774 6.706) 8.038 2.976 ( 3.373 0.726 -3.728) 5.079 3.789 ( 5.094 0.405 -4.862) 7.053 4.168 ( 0.051 0.908 -4.893) 4.977 4.532 ( -5.932 -2.584 1.164) 6.574 4.890 ( -8.627 -6.122 -9.846) 14.452 6.178 ( 11.193 2.292 6.825) 13.309 6.357 ( 1.083 0.340 9.754) 9.820 6.693 ( 5.235 1.194 -6.320) 8.293 6.801 ( 9.289 0.897 5.144) 10.656 7.154 ( -10.565 -3.301 2.114) 11.268 7.544 ( -4.437 -0.061 7.066) 8.344 7.669 ( 6.769 1.944 3.718) 7.964 7.941 ( 0.089 2.395 -4.219) 4.853 8.510 ( 1.543 1.982 0.503) 2.561 8.580 ( -0.067 -2.331 2.659) 3.536 9.161 ( 1.411 0.067 0.250) 1.435 9.835 ( 0.802 -0.941 -8.661) 8.749 10.031 ( 3.979 0.419 0.013) 4.001 10.514 ( -7.471 -0.180 10.242) 12.678 11.508 ( -5.847 1.567 -9.071) 10.906 11.956 ( -10.068 -7.635 -11.541) 17.113 16.177 ( 0.470 0.825 -1.428) 1.714 16.437 ( -3.758 -2.788 -4.202) 6.289 17.137 ( -0.188 -0.712 -0.363) 0.821 17.242 ( -1.703 -0.548 -1.847) 2.571 17.534 ( 1.960 3.052 2.348) 4.321 17.642 ( -2.087 -1.852 0.691) 2.874 18.086 ( 5.676 6.050 13.762) 16.069 18.530 ( 6.898 -0.187 -2.719) 7.416 ======================= Grid point 487 (250/250) ======================= q-point: (-0.11 -0.11 0.45) 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 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -5.448 0.000 11.026) 12.299 1.546 ( -0.808 0.000 7.027) 7.073 1.878 ( -0.637 0.000 -6.560) 6.591 1.913 ( -4.359 0.000 -10.739) 11.589 2.187 ( 2.280 -0.000 7.023) 7.384 2.223 ( 2.806 -0.000 6.807) 7.363 2.821 ( 1.105 -0.000 6.861) 6.949 3.003 ( 3.951 -0.000 -4.823) 6.235 3.840 ( 8.236 -0.000 -4.483) 9.377 4.141 ( -3.847 0.000 -2.738) 4.722 4.471 ( -2.822 0.000 0.650) 2.896 4.712 ( -6.854 0.000 -8.250) 10.725 6.323 ( 9.151 -0.000 3.231) 9.704 6.402 ( -0.721 0.000 7.937) 7.969 6.718 ( 5.062 -0.000 -6.742) 8.431 6.914 ( -2.742 0.000 4.775) 5.507 7.068 ( 3.733 -0.000 4.622) 5.942 7.524 ( -4.742 0.000 6.934) 8.400 7.783 ( 6.372 -0.000 4.543) 7.826 7.926 ( -3.303 0.000 -3.165) 4.575 8.536 ( -1.193 0.000 1.705) 2.081 8.566 ( 0.872 -0.000 0.316) 0.927 9.212 ( 7.589 -0.000 0.538) 7.608 9.763 ( -5.898 0.000 -7.471) 9.518 10.119 ( 13.261 -0.000 -2.210) 13.444 10.467 ( -10.400 0.000 10.247) 14.600 11.432 ( -3.847 0.000 -8.778) 9.583 11.712 ( -12.072 0.000 -11.126) 16.418 16.196 ( 3.060 -0.000 -1.136) 3.264 16.363 ( -3.942 0.000 -1.890) 4.371 17.126 ( -0.727 0.000 0.556) 0.915 17.209 ( -1.866 0.000 -1.991) 2.728 17.590 ( 0.912 -0.000 0.067) 0.914 17.594 ( -1.509 0.000 0.349) 1.549 18.262 ( 4.285 -0.000 14.449) 15.071 18.580 ( 6.530 -0.000 -4.925) 8.179 =================== 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 3/32076 10.0 151.515 56.635 219.926 -0.000 47.716 -0.000 3/32076 20.0 55.471 20.833 71.646 -0.000 12.652 -0.000 3/32076 30.0 31.265 12.317 38.349 -0.000 6.616 -0.000 3/32076 40.0 20.950 8.593 25.201 -0.000 4.237 -0.000 3/32076 50.0 15.439 6.538 18.408 -0.000 2.993 -0.000 3/32076 60.0 12.047 5.237 14.284 -0.000 2.236 -0.000 3/32076 70.0 9.755 4.336 11.512 -0.000 1.731 -0.000 3/32076 80.0 8.114 3.676 9.531 -0.000 1.378 -0.000 3/32076 90.0 6.895 3.175 8.063 -0.000 1.125 -0.000 3/32076 100.0 5.966 2.785 6.948 -0.000 0.938 -0.000 3/32076 110.0 5.243 2.475 6.082 -0.000 0.799 -0.000 3/32076 120.0 4.668 2.225 5.398 -0.000 0.692 -0.000 3/32076 130.0 4.204 2.020 4.847 -0.000 0.610 -0.000 3/32076 140.0 3.824 1.850 4.397 -0.000 0.544 -0.000 3/32076 150.0 3.507 1.706 4.023 -0.000 0.491 -0.000 3/32076 160.0 3.239 1.584 3.709 -0.000 0.448 -0.000 3/32076 170.0 3.011 1.479 3.442 -0.000 0.412 -0.000 3/32076 180.0 2.814 1.387 3.211 -0.000 0.382 -0.000 3/32076 190.0 2.642 1.307 3.011 -0.000 0.356 -0.000 3/32076 200.0 2.491 1.236 2.836 -0.000 0.333 -0.000 3/32076 210.0 2.357 1.173 2.680 -0.000 0.314 -0.000 3/32076 220.0 2.238 1.117 2.542 -0.000 0.297 -0.000 3/32076 230.0 2.131 1.066 2.418 -0.000 0.282 -0.000 3/32076 240.0 2.034 1.019 2.306 -0.000 0.268 -0.000 3/32076 250.0 1.946 0.977 2.205 -0.000 0.256 -0.000 3/32076 260.0 1.866 0.939 2.112 -0.000 0.245 -0.000 3/32076 270.0 1.792 0.903 2.028 -0.000 0.235 -0.000 3/32076 280.0 1.724 0.870 1.950 -0.000 0.226 -0.000 3/32076 290.0 1.662 0.840 1.878 -0.000 0.218 -0.000 3/32076 300.0 1.604 0.811 1.812 -0.000 0.210 -0.000 3/32076 310.0 1.550 0.785 1.750 -0.000 0.203 -0.000 3/32076 320.0 1.500 0.760 1.693 -0.000 0.196 -0.000 3/32076 330.0 1.453 0.737 1.639 -0.000 0.190 -0.000 3/32076 340.0 1.409 0.716 1.589 -0.000 0.184 -0.000 3/32076 350.0 1.367 0.695 1.542 -0.000 0.179 -0.000 3/32076 360.0 1.328 0.676 1.497 -0.000 0.174 -0.000 3/32076 370.0 1.292 0.658 1.455 -0.000 0.169 -0.000 3/32076 380.0 1.257 0.641 1.416 -0.000 0.164 -0.000 3/32076 390.0 1.224 0.624 1.379 -0.000 0.160 -0.000 3/32076 400.0 1.193 0.609 1.343 -0.000 0.156 -0.000 3/32076 410.0 1.163 0.594 1.310 -0.000 0.152 -0.000 3/32076 420.0 1.135 0.580 1.278 -0.000 0.148 -0.000 3/32076 430.0 1.109 0.567 1.247 -0.000 0.145 -0.000 3/32076 440.0 1.083 0.554 1.218 -0.000 0.142 -0.000 3/32076 450.0 1.059 0.542 1.191 -0.000 0.138 -0.000 3/32076 460.0 1.035 0.530 1.165 -0.000 0.135 -0.000 3/32076 470.0 1.013 0.519 1.139 -0.000 0.132 -0.000 3/32076 480.0 0.992 0.508 1.115 -0.000 0.130 -0.000 3/32076 490.0 0.972 0.498 1.092 -0.000 0.127 -0.000 3/32076 500.0 0.952 0.488 1.070 -0.000 0.125 -0.000 3/32076 510.0 0.933 0.479 1.049 -0.000 0.122 -0.000 3/32076 520.0 0.915 0.470 1.028 -0.000 0.120 -0.000 3/32076 530.0 0.898 0.461 1.009 -0.000 0.117 -0.000 3/32076 540.0 0.881 0.452 0.990 -0.000 0.115 -0.000 3/32076 550.0 0.865 0.444 0.972 -0.000 0.113 -0.000 3/32076 560.0 0.850 0.436 0.954 -0.000 0.111 -0.000 3/32076 570.0 0.835 0.429 0.937 -0.000 0.109 -0.000 3/32076 580.0 0.820 0.421 0.921 -0.000 0.107 -0.000 3/32076 590.0 0.806 0.414 0.905 -0.000 0.106 -0.000 3/32076 600.0 0.793 0.408 0.890 -0.000 0.104 -0.000 3/32076 610.0 0.780 0.401 0.875 -0.000 0.102 -0.000 3/32076 620.0 0.767 0.395 0.861 -0.000 0.100 -0.000 3/32076 630.0 0.755 0.388 0.847 -0.000 0.099 -0.000 3/32076 640.0 0.743 0.382 0.834 -0.000 0.097 -0.000 3/32076 650.0 0.732 0.377 0.821 -0.000 0.096 -0.000 3/32076 660.0 0.720 0.371 0.809 -0.000 0.094 -0.000 3/32076 670.0 0.710 0.365 0.796 -0.000 0.093 -0.000 3/32076 680.0 0.699 0.360 0.785 -0.000 0.092 -0.000 3/32076 690.0 0.689 0.355 0.773 -0.000 0.090 -0.000 3/32076 700.0 0.679 0.350 0.762 -0.000 0.089 -0.000 3/32076 710.0 0.670 0.345 0.751 -0.000 0.088 -0.000 3/32076 720.0 0.660 0.340 0.741 -0.000 0.087 -0.000 3/32076 730.0 0.651 0.336 0.731 -0.000 0.085 -0.000 3/32076 740.0 0.642 0.331 0.721 -0.000 0.084 -0.000 3/32076 750.0 0.634 0.327 0.711 -0.000 0.083 -0.000 3/32076 760.0 0.626 0.322 0.702 -0.000 0.082 -0.000 3/32076 770.0 0.617 0.318 0.693 -0.000 0.081 -0.000 3/32076 780.0 0.610 0.314 0.684 -0.000 0.080 -0.000 3/32076 790.0 0.602 0.310 0.675 -0.000 0.079 -0.000 3/32076 800.0 0.594 0.306 0.667 -0.000 0.078 -0.000 3/32076 810.0 0.587 0.303 0.658 -0.000 0.077 -0.000 3/32076 820.0 0.580 0.299 0.650 -0.000 0.076 -0.000 3/32076 830.0 0.573 0.295 0.642 -0.000 0.075 -0.000 3/32076 840.0 0.566 0.292 0.635 -0.000 0.074 -0.000 3/32076 850.0 0.559 0.289 0.627 -0.000 0.073 -0.000 3/32076 860.0 0.553 0.285 0.620 -0.000 0.073 -0.000 3/32076 870.0 0.546 0.282 0.613 -0.000 0.072 -0.000 3/32076 880.0 0.540 0.279 0.606 -0.000 0.071 -0.000 3/32076 890.0 0.534 0.276 0.599 -0.000 0.070 -0.000 3/32076 900.0 0.528 0.273 0.592 -0.000 0.069 -0.000 3/32076 910.0 0.522 0.270 0.586 -0.000 0.069 -0.000 3/32076 920.0 0.517 0.267 0.579 -0.000 0.068 -0.000 3/32076 930.0 0.511 0.264 0.573 -0.000 0.067 -0.000 3/32076 940.0 0.506 0.261 0.567 -0.000 0.066 -0.000 3/32076 950.0 0.500 0.258 0.561 -0.000 0.066 -0.000 3/32076 960.0 0.495 0.256 0.555 -0.000 0.065 -0.000 3/32076 970.0 0.490 0.253 0.549 -0.000 0.064 -0.000 3/32076 980.0 0.485 0.250 0.544 -0.000 0.064 -0.000 3/32076 990.0 0.480 0.248 0.538 -0.000 0.063 -0.000 3/32076 1000.0 0.475 0.245 0.533 -0.000 0.062 -0.000 3/32076 Thermal conductivity related properties were written into "kappa-m9911.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:10:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|