----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:21:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.423348620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.487196420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.435501020000000 Atomic positions (fractional): *1 Be 0.40749991500781 0.25000000000000 0.56702625612382 9.012 2 Be 0.59250008499219 0.75000000000000 0.43297374387618 9.012 3 Be 0.90749991500781 0.25000000000000 0.93297374387618 9.012 4 Be 0.09250008499219 0.75000000000000 0.06702625612382 9.012 *5 O 0.66349720504937 0.51564492347942 0.25643621993708 15.999 6 O 0.83650279495063 0.48435507652058 0.75643621993708 15.999 7 O 0.33650279495063 0.01564492347942 0.74356378006292 15.999 8 O 0.16349720504937 0.98435507652058 0.24356378006292 15.999 9 O 0.83650279495063 0.01564492347942 0.75643621993708 15.999 10 O 0.33650279495063 0.48435507652058 0.74356378006292 15.999 11 O 0.66349720504937 0.98435507652058 0.25643621993708 15.999 12 O 0.16349720504937 0.51564492347942 0.24356378006292 15.999 *13 O 0.09040552760944 0.75000000000000 0.71314062347022 15.999 14 O 0.40959447239056 0.25000000000000 0.21314062347022 15.999 15 O 0.90959447239056 0.25000000000000 0.28685937652978 15.999 16 O 0.59040552760944 0.75000000000000 0.78685937652978 15.999 *17 O 0.43331803373558 0.75000000000000 0.25956944308551 15.999 18 O 0.06668196626442 0.25000000000000 0.75956944308551 15.999 19 O 0.56668196626442 0.25000000000000 0.74043055691449 15.999 20 O 0.93331803373558 0.75000000000000 0.24043055691449 15.999 *21 Al 0.77254316980769 0.75000000000000 0.99468256416030 26.982 22 Al 0.72745683019231 0.25000000000000 0.49468256416030 26.982 23 Al 0.22745683019231 0.25000000000000 0.00531743583970 26.982 24 Al 0.27254316980769 0.75000000000000 0.50531743583970 26.982 *25 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 26 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 27 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 28 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.423348620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.487196420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.435501020000000 Atomic positions (fractional): *1 Be 0.40749991500781 0.25000000000000 0.56702625612382 9.012 > 1 2 Be 0.59250008499219 0.75000000000000 0.43297374387618 9.012 > 2 3 Be 0.90749991500781 0.25000000000000 0.93297374387618 9.012 > 3 4 Be 0.09250008499219 0.75000000000000 0.06702625612382 9.012 > 4 *5 O 0.66349720504937 0.51564492347942 0.25643621993708 15.999 > 5 6 O 0.83650279495063 0.48435507652058 0.75643621993708 15.999 > 6 7 O 0.33650279495063 0.01564492347942 0.74356378006292 15.999 > 7 8 O 0.16349720504937 0.98435507652058 0.24356378006292 15.999 > 8 9 O 0.83650279495063 0.01564492347942 0.75643621993708 15.999 > 9 10 O 0.33650279495063 0.48435507652058 0.74356378006292 15.999 > 10 11 O 0.66349720504937 0.98435507652058 0.25643621993708 15.999 > 11 12 O 0.16349720504937 0.51564492347942 0.24356378006292 15.999 > 12 *13 O 0.09040552760944 0.75000000000000 0.71314062347022 15.999 > 13 14 O 0.40959447239056 0.25000000000000 0.21314062347022 15.999 > 14 15 O 0.90959447239056 0.25000000000000 0.28685937652978 15.999 > 15 16 O 0.59040552760944 0.75000000000000 0.78685937652978 15.999 > 16 *17 O 0.43331803373558 0.75000000000000 0.25956944308551 15.999 > 17 18 O 0.06668196626442 0.25000000000000 0.75956944308551 15.999 > 18 19 O 0.56668196626442 0.25000000000000 0.74043055691449 15.999 > 19 20 O 0.93331803373558 0.75000000000000 0.24043055691449 15.999 > 20 *21 Al 0.77254316980769 0.75000000000000 0.99468256416030 26.982 > 21 22 Al 0.72745683019231 0.25000000000000 0.49468256416030 26.982 > 22 23 Al 0.22745683019231 0.25000000000000 0.00531743583970 26.982 > 23 24 Al 0.27254316980769 0.75000000000000 0.50531743583970 26.982 > 24 *25 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 25 26 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 26 27 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 27 28 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.423348620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974392840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.871002040000000 Atomic positions (fractional): *1 Be 0.40749991500781 0.12500000000000 0.28351312806191 9.012 > 1 2 Be 0.40749991500781 0.62500000000000 0.28351312806191 9.012 > 1 3 Be 0.40749991500781 0.12500000000000 0.78351312806191 9.012 > 1 4 Be 0.40749991500781 0.62500000000000 0.78351312806191 9.012 > 1 5 Be 0.59250008499219 0.37500000000000 0.21648687193809 9.012 > 2 6 Be 0.59250008499219 0.87500000000000 0.21648687193809 9.012 > 2 7 Be 0.59250008499219 0.37500000000000 0.71648687193809 9.012 > 2 8 Be 0.59250008499219 0.87500000000000 0.71648687193809 9.012 > 2 9 Be 0.90749991500781 0.12500000000000 0.46648687193809 9.012 > 3 10 Be 0.90749991500781 0.62500000000000 0.46648687193809 9.012 > 3 11 Be 0.90749991500781 0.12500000000000 0.96648687193809 9.012 > 3 12 Be 0.90749991500781 0.62500000000000 0.96648687193809 9.012 > 3 13 Be 0.09250008499219 0.37500000000000 0.03351312806191 9.012 > 4 14 Be 0.09250008499219 0.87500000000000 0.03351312806191 9.012 > 4 15 Be 0.09250008499219 0.37500000000000 0.53351312806191 9.012 > 4 16 Be 0.09250008499219 0.87500000000000 0.53351312806191 9.012 > 4 *17 O 0.66349720504937 0.25782246173971 0.12821810996854 15.999 > 5 18 O 0.66349720504937 0.75782246173971 0.12821810996854 15.999 > 5 19 O 0.66349720504937 0.25782246173971 0.62821810996854 15.999 > 5 20 O 0.66349720504937 0.75782246173971 0.62821810996854 15.999 > 5 21 O 0.83650279495063 0.24217753826029 0.37821810996854 15.999 > 6 22 O 0.83650279495063 0.74217753826029 0.37821810996854 15.999 > 6 23 O 0.83650279495063 0.24217753826029 0.87821810996854 15.999 > 6 24 O 0.83650279495063 0.74217753826029 0.87821810996854 15.999 > 6 25 O 0.33650279495063 0.00782246173971 0.37178189003146 15.999 > 7 26 O 0.33650279495063 0.50782246173971 0.37178189003146 15.999 > 7 27 O 0.33650279495063 0.00782246173971 0.87178189003146 15.999 > 7 28 O 0.33650279495063 0.50782246173971 0.87178189003146 15.999 > 7 29 O 0.16349720504937 0.49217753826029 0.12178189003146 15.999 > 8 30 O 0.16349720504937 0.99217753826029 0.12178189003146 15.999 > 8 31 O 0.16349720504937 0.49217753826029 0.62178189003146 15.999 > 8 32 O 0.16349720504937 0.99217753826029 0.62178189003146 15.999 > 8 33 O 0.83650279495063 0.00782246173971 0.37821810996854 15.999 > 9 34 O 0.83650279495063 0.50782246173971 0.37821810996854 15.999 > 9 35 O 0.83650279495063 0.00782246173971 0.87821810996854 15.999 > 9 36 O 0.83650279495063 0.50782246173971 0.87821810996854 15.999 > 9 37 O 0.33650279495063 0.24217753826029 0.37178189003146 15.999 > 10 38 O 0.33650279495063 0.74217753826029 0.37178189003146 15.999 > 10 39 O 0.33650279495063 0.24217753826029 0.87178189003146 15.999 > 10 40 O 0.33650279495063 0.74217753826029 0.87178189003146 15.999 > 10 41 O 0.66349720504937 0.49217753826029 0.12821810996854 15.999 > 11 42 O 0.66349720504937 0.99217753826029 0.12821810996854 15.999 > 11 43 O 0.66349720504937 0.49217753826029 0.62821810996854 15.999 > 11 44 O 0.66349720504937 0.99217753826029 0.62821810996854 15.999 > 11 45 O 0.16349720504937 0.25782246173971 0.12178189003146 15.999 > 12 46 O 0.16349720504937 0.75782246173971 0.12178189003146 15.999 > 12 47 O 0.16349720504937 0.25782246173971 0.62178189003146 15.999 > 12 48 O 0.16349720504937 0.75782246173971 0.62178189003146 15.999 > 12 *49 O 0.09040552760944 0.37500000000000 0.35657031173511 15.999 > 13 50 O 0.09040552760944 0.87500000000000 0.35657031173511 15.999 > 13 51 O 0.09040552760944 0.37500000000000 0.85657031173511 15.999 > 13 52 O 0.09040552760944 0.87500000000000 0.85657031173511 15.999 > 13 53 O 0.40959447239056 0.12500000000000 0.10657031173511 15.999 > 14 54 O 0.40959447239056 0.62500000000000 0.10657031173511 15.999 > 14 55 O 0.40959447239056 0.12500000000000 0.60657031173511 15.999 > 14 56 O 0.40959447239056 0.62500000000000 0.60657031173511 15.999 > 14 57 O 0.90959447239056 0.12500000000000 0.14342968826489 15.999 > 15 58 O 0.90959447239056 0.62500000000000 0.14342968826489 15.999 > 15 59 O 0.90959447239056 0.12500000000000 0.64342968826489 15.999 > 15 60 O 0.90959447239056 0.62500000000000 0.64342968826489 15.999 > 15 61 O 0.59040552760944 0.37500000000000 0.39342968826489 15.999 > 16 62 O 0.59040552760944 0.87500000000000 0.39342968826489 15.999 > 16 63 O 0.59040552760944 0.37500000000000 0.89342968826489 15.999 > 16 64 O 0.59040552760944 0.87500000000000 0.89342968826489 15.999 > 16 *65 O 0.43331803373558 0.37500000000000 0.12978472154275 15.999 > 17 66 O 0.43331803373558 0.87500000000000 0.12978472154275 15.999 > 17 67 O 0.43331803373558 0.37500000000000 0.62978472154275 15.999 > 17 68 O 0.43331803373558 0.87500000000000 0.62978472154275 15.999 > 17 69 O 0.06668196626442 0.12500000000000 0.37978472154275 15.999 > 18 70 O 0.06668196626442 0.62500000000000 0.37978472154275 15.999 > 18 71 O 0.06668196626442 0.12500000000000 0.87978472154275 15.999 > 18 72 O 0.06668196626442 0.62500000000000 0.87978472154275 15.999 > 18 73 O 0.56668196626442 0.12500000000000 0.37021527845725 15.999 > 19 74 O 0.56668196626442 0.62500000000000 0.37021527845725 15.999 > 19 75 O 0.56668196626442 0.12500000000000 0.87021527845725 15.999 > 19 76 O 0.56668196626442 0.62500000000000 0.87021527845725 15.999 > 19 77 O 0.93331803373558 0.37500000000000 0.12021527845725 15.999 > 20 78 O 0.93331803373558 0.87500000000000 0.12021527845725 15.999 > 20 79 O 0.93331803373558 0.37500000000000 0.62021527845725 15.999 > 20 80 O 0.93331803373558 0.87500000000000 0.62021527845725 15.999 > 20 *81 Al 0.77254316980769 0.37500000000000 0.49734128208015 26.982 > 21 82 Al 0.77254316980769 0.87500000000000 0.49734128208015 26.982 > 21 83 Al 0.77254316980769 0.37500000000000 0.99734128208015 26.982 > 21 84 Al 0.77254316980769 0.87500000000000 0.99734128208015 26.982 > 21 85 Al 0.72745683019231 0.12500000000000 0.24734128208015 26.982 > 22 86 Al 0.72745683019231 0.62500000000000 0.24734128208015 26.982 > 22 87 Al 0.72745683019231 0.12500000000000 0.74734128208015 26.982 > 22 88 Al 0.72745683019231 0.62500000000000 0.74734128208015 26.982 > 22 89 Al 0.22745683019231 0.12500000000000 0.00265871791985 26.982 > 23 90 Al 0.22745683019231 0.62500000000000 0.00265871791985 26.982 > 23 91 Al 0.22745683019231 0.12500000000000 0.50265871791985 26.982 > 23 92 Al 0.22745683019231 0.62500000000000 0.50265871791985 26.982 > 23 93 Al 0.27254316980769 0.37500000000000 0.25265871791985 26.982 > 24 94 Al 0.27254316980769 0.87500000000000 0.25265871791985 26.982 > 24 95 Al 0.27254316980769 0.37500000000000 0.75265871791985 26.982 > 24 96 Al 0.27254316980769 0.87500000000000 0.75265871791985 26.982 > 24 *97 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 25 98 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 25 99 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 25 100 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 25 101 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 26 102 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 26 103 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 26 104 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 26 105 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 27 106 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 27 107 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 27 108 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 27 109 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 28 110 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 28 111 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 28 112 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1754659 0.0000000 0.0000000 0.0000000 3.1974821 0.0000000 0.0000000 0.0000000 3.1677061 -------------------------- Born effective charges -------------------------- 1 Be 1.5942313 0.0000000 0.0044262 0.0000000 1.6843546 0.0000000 0.0083664 0.0000000 1.9521795 2 Be 1.5942313 0.0000000 0.0044262 0.0000000 1.6843546 0.0000000 0.0083664 0.0000000 1.9521795 3 Be 1.5942313 0.0000000 -0.0044262 0.0000000 1.6843546 0.0000000 -0.0083664 0.0000000 1.9521795 4 Be 1.5942313 0.0000000 -0.0044262 0.0000000 1.6843546 0.0000000 -0.0083664 0.0000000 1.9521795 5 O -1.8443868 0.1197107 -0.0770291 0.1125403 -2.0479117 0.1616372 -0.0729321 0.1825432 -1.8030174 6 O -1.8443868 0.1197107 0.0770291 0.1125403 -2.0479117 -0.1616372 0.0729321 -0.1825432 -1.8030174 7 O -1.8443868 -0.1197107 -0.0770291 -0.1125403 -2.0479117 -0.1616372 -0.0729321 -0.1825432 -1.8030174 8 O -1.8443868 -0.1197107 0.0770291 -0.1125403 -2.0479117 0.1616372 0.0729321 0.1825432 -1.8030174 9 O -1.8443868 -0.1197107 0.0770291 -0.1125403 -2.0479117 0.1616372 0.0729321 0.1825432 -1.8030174 10 O -1.8443868 0.1197107 -0.0770291 0.1125403 -2.0479117 0.1616372 -0.0729321 0.1825432 -1.8030174 11 O -1.8443868 -0.1197107 -0.0770291 -0.1125403 -2.0479117 -0.1616372 -0.0729321 -0.1825432 -1.8030174 12 O -1.8443868 0.1197107 0.0770291 0.1125403 -2.0479117 -0.1616372 0.0729321 -0.1825432 -1.8030174 13 O -1.7688615 0.0000000 0.0045454 0.0000000 -1.7680547 0.0000000 -0.0078903 0.0000000 -2.1681454 14 O -1.7688615 0.0000000 -0.0045454 0.0000000 -1.7680547 0.0000000 0.0078903 0.0000000 -2.1681454 15 O -1.7688615 0.0000000 0.0045454 0.0000000 -1.7680547 0.0000000 -0.0078903 0.0000000 -2.1681454 16 O -1.7688615 0.0000000 -0.0045454 0.0000000 -1.7680547 0.0000000 0.0078903 0.0000000 -2.1681454 17 O -2.0763543 0.0000000 0.1991236 0.0000000 -1.7821422 0.0000000 0.1913125 0.0000000 -1.8488198 18 O -2.0763543 0.0000000 -0.1991236 0.0000000 -1.7821422 0.0000000 -0.1913125 0.0000000 -1.8488198 19 O -2.0763543 0.0000000 0.1991236 0.0000000 -1.7821422 0.0000000 0.1913125 0.0000000 -1.8488198 20 O -2.0763543 0.0000000 -0.1991236 0.0000000 -1.7821422 0.0000000 -0.1913125 0.0000000 -1.8488198 21 Al 3.1977176 0.0000000 -0.0895364 0.0000000 3.0192043 0.0000000 -0.0846995 0.0000000 2.8882072 22 Al 3.1977176 0.0000000 0.0895364 0.0000000 3.0192043 0.0000000 0.0846995 0.0000000 2.8882072 23 Al 3.1977176 0.0000000 -0.0895364 0.0000000 3.0192043 0.0000000 -0.0846995 0.0000000 2.8882072 24 Al 3.1977176 0.0000000 0.0895364 0.0000000 3.0192043 0.0000000 0.0846995 0.0000000 2.8882072 25 Al 2.7420407 0.1605841 0.0850573 0.1627719 2.9424614 0.1444249 0.0840325 0.1779595 2.7826132 26 Al 2.7420407 0.1605841 -0.0850573 0.1627719 2.9424614 -0.1444249 -0.0840325 -0.1779595 2.7826132 27 Al 2.7420407 -0.1605841 0.0850573 -0.1627719 2.9424614 -0.1444249 0.0840325 -0.1779595 2.7826132 28 Al 2.7420407 -0.1605841 -0.0850573 -0.1627719 2.9424614 0.1444249 -0.0840325 0.1779595 2.7826132 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.012 Solver_block: 200 / 480 - Time: 3.021 Solver_block: 300 / 480 - Time: 3.023 Solver_block: 400 / 480 - Time: 3.023 Solver_block: 480 / 480 - Time: 2.443 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.571 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), 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 2026-01-07 19:22:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:22:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.423348620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.487196420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.435501020000000 Atomic positions (fractional): 1 Be 0.40749991500781 0.25000000000000 0.56702625612382 9.012 2 Be 0.59250008499219 0.75000000000000 0.43297374387618 9.012 3 Be 0.90749991500781 0.25000000000000 0.93297374387618 9.012 4 Be 0.09250008499219 0.75000000000000 0.06702625612382 9.012 5 O 0.66349720504937 0.51564492347942 0.25643621993708 15.999 6 O 0.83650279495063 0.48435507652058 0.75643621993708 15.999 7 O 0.33650279495063 0.01564492347942 0.74356378006292 15.999 8 O 0.16349720504937 0.98435507652058 0.24356378006292 15.999 9 O 0.83650279495063 0.01564492347942 0.75643621993708 15.999 10 O 0.33650279495063 0.48435507652058 0.74356378006292 15.999 11 O 0.66349720504937 0.98435507652058 0.25643621993708 15.999 12 O 0.16349720504937 0.51564492347942 0.24356378006292 15.999 13 O 0.09040552760944 0.75000000000000 0.71314062347022 15.999 14 O 0.40959447239056 0.25000000000000 0.21314062347022 15.999 15 O 0.90959447239056 0.25000000000000 0.28685937652978 15.999 16 O 0.59040552760944 0.75000000000000 0.78685937652978 15.999 17 O 0.43331803373558 0.75000000000000 0.25956944308551 15.999 18 O 0.06668196626442 0.25000000000000 0.75956944308551 15.999 19 O 0.56668196626442 0.25000000000000 0.74043055691449 15.999 20 O 0.93331803373558 0.75000000000000 0.24043055691449 15.999 21 Al 0.77254316980769 0.75000000000000 0.99468256416030 26.982 22 Al 0.72745683019231 0.25000000000000 0.49468256416030 26.982 23 Al 0.22745683019231 0.25000000000000 0.00531743583970 26.982 24 Al 0.27254316980769 0.75000000000000 0.50531743583970 26.982 25 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 26 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 27 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 28 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.423348620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974392840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.871002040000000 Atomic positions (fractional): 1 Be 0.40749991500781 0.12500000000000 0.28351312806191 9.012 > 1 2 Be 0.40749991500781 0.62500000000000 0.28351312806191 9.012 > 1 3 Be 0.40749991500781 0.12500000000000 0.78351312806191 9.012 > 1 4 Be 0.40749991500781 0.62500000000000 0.78351312806191 9.012 > 1 5 Be 0.59250008499219 0.37500000000000 0.21648687193809 9.012 > 5 6 Be 0.59250008499219 0.87500000000000 0.21648687193809 9.012 > 5 7 Be 0.59250008499219 0.37500000000000 0.71648687193809 9.012 > 5 8 Be 0.59250008499219 0.87500000000000 0.71648687193809 9.012 > 5 9 Be 0.90749991500781 0.12500000000000 0.46648687193809 9.012 > 9 10 Be 0.90749991500781 0.62500000000000 0.46648687193809 9.012 > 9 11 Be 0.90749991500781 0.12500000000000 0.96648687193809 9.012 > 9 12 Be 0.90749991500781 0.62500000000000 0.96648687193809 9.012 > 9 13 Be 0.09250008499219 0.37500000000000 0.03351312806191 9.012 > 13 14 Be 0.09250008499219 0.87500000000000 0.03351312806191 9.012 > 13 15 Be 0.09250008499219 0.37500000000000 0.53351312806191 9.012 > 13 16 Be 0.09250008499219 0.87500000000000 0.53351312806191 9.012 > 13 17 O 0.66349720504937 0.25782246173971 0.12821810996854 15.999 > 17 18 O 0.66349720504937 0.75782246173971 0.12821810996854 15.999 > 17 19 O 0.66349720504937 0.25782246173971 0.62821810996854 15.999 > 17 20 O 0.66349720504937 0.75782246173971 0.62821810996854 15.999 > 17 21 O 0.83650279495063 0.24217753826029 0.37821810996854 15.999 > 21 22 O 0.83650279495063 0.74217753826029 0.37821810996854 15.999 > 21 23 O 0.83650279495063 0.24217753826029 0.87821810996854 15.999 > 21 24 O 0.83650279495063 0.74217753826029 0.87821810996854 15.999 > 21 25 O 0.33650279495063 0.00782246173971 0.37178189003146 15.999 > 25 26 O 0.33650279495063 0.50782246173971 0.37178189003146 15.999 > 25 27 O 0.33650279495063 0.00782246173971 0.87178189003146 15.999 > 25 28 O 0.33650279495063 0.50782246173971 0.87178189003146 15.999 > 25 29 O 0.16349720504937 0.49217753826029 0.12178189003146 15.999 > 29 30 O 0.16349720504937 0.99217753826029 0.12178189003146 15.999 > 29 31 O 0.16349720504937 0.49217753826029 0.62178189003146 15.999 > 29 32 O 0.16349720504937 0.99217753826029 0.62178189003146 15.999 > 29 33 O 0.83650279495063 0.00782246173971 0.37821810996854 15.999 > 33 34 O 0.83650279495063 0.50782246173971 0.37821810996854 15.999 > 33 35 O 0.83650279495063 0.00782246173971 0.87821810996854 15.999 > 33 36 O 0.83650279495063 0.50782246173971 0.87821810996854 15.999 > 33 37 O 0.33650279495063 0.24217753826029 0.37178189003146 15.999 > 37 38 O 0.33650279495063 0.74217753826029 0.37178189003146 15.999 > 37 39 O 0.33650279495063 0.24217753826029 0.87178189003146 15.999 > 37 40 O 0.33650279495063 0.74217753826029 0.87178189003146 15.999 > 37 41 O 0.66349720504937 0.49217753826029 0.12821810996854 15.999 > 41 42 O 0.66349720504937 0.99217753826029 0.12821810996854 15.999 > 41 43 O 0.66349720504937 0.49217753826029 0.62821810996854 15.999 > 41 44 O 0.66349720504937 0.99217753826029 0.62821810996854 15.999 > 41 45 O 0.16349720504937 0.25782246173971 0.12178189003146 15.999 > 45 46 O 0.16349720504937 0.75782246173971 0.12178189003146 15.999 > 45 47 O 0.16349720504937 0.25782246173971 0.62178189003146 15.999 > 45 48 O 0.16349720504937 0.75782246173971 0.62178189003146 15.999 > 45 49 O 0.09040552760944 0.37500000000000 0.35657031173511 15.999 > 49 50 O 0.09040552760944 0.87500000000000 0.35657031173511 15.999 > 49 51 O 0.09040552760944 0.37500000000000 0.85657031173511 15.999 > 49 52 O 0.09040552760944 0.87500000000000 0.85657031173511 15.999 > 49 53 O 0.40959447239056 0.12500000000000 0.10657031173511 15.999 > 53 54 O 0.40959447239056 0.62500000000000 0.10657031173511 15.999 > 53 55 O 0.40959447239056 0.12500000000000 0.60657031173511 15.999 > 53 56 O 0.40959447239056 0.62500000000000 0.60657031173511 15.999 > 53 57 O 0.90959447239056 0.12500000000000 0.14342968826489 15.999 > 57 58 O 0.90959447239056 0.62500000000000 0.14342968826489 15.999 > 57 59 O 0.90959447239056 0.12500000000000 0.64342968826489 15.999 > 57 60 O 0.90959447239056 0.62500000000000 0.64342968826489 15.999 > 57 61 O 0.59040552760944 0.37500000000000 0.39342968826489 15.999 > 61 62 O 0.59040552760944 0.87500000000000 0.39342968826489 15.999 > 61 63 O 0.59040552760944 0.37500000000000 0.89342968826489 15.999 > 61 64 O 0.59040552760944 0.87500000000000 0.89342968826489 15.999 > 61 65 O 0.43331803373558 0.37500000000000 0.12978472154275 15.999 > 65 66 O 0.43331803373558 0.87500000000000 0.12978472154275 15.999 > 65 67 O 0.43331803373558 0.37500000000000 0.62978472154275 15.999 > 65 68 O 0.43331803373558 0.87500000000000 0.62978472154275 15.999 > 65 69 O 0.06668196626442 0.12500000000000 0.37978472154275 15.999 > 69 70 O 0.06668196626442 0.62500000000000 0.37978472154275 15.999 > 69 71 O 0.06668196626442 0.12500000000000 0.87978472154275 15.999 > 69 72 O 0.06668196626442 0.62500000000000 0.87978472154275 15.999 > 69 73 O 0.56668196626442 0.12500000000000 0.37021527845725 15.999 > 73 74 O 0.56668196626442 0.62500000000000 0.37021527845725 15.999 > 73 75 O 0.56668196626442 0.12500000000000 0.87021527845725 15.999 > 73 76 O 0.56668196626442 0.62500000000000 0.87021527845725 15.999 > 73 77 O 0.93331803373558 0.37500000000000 0.12021527845725 15.999 > 77 78 O 0.93331803373558 0.87500000000000 0.12021527845725 15.999 > 77 79 O 0.93331803373558 0.37500000000000 0.62021527845725 15.999 > 77 80 O 0.93331803373558 0.87500000000000 0.62021527845725 15.999 > 77 81 Al 0.77254316980769 0.37500000000000 0.49734128208015 26.982 > 81 82 Al 0.77254316980769 0.87500000000000 0.49734128208015 26.982 > 81 83 Al 0.77254316980769 0.37500000000000 0.99734128208015 26.982 > 81 84 Al 0.77254316980769 0.87500000000000 0.99734128208015 26.982 > 81 85 Al 0.72745683019231 0.12500000000000 0.24734128208015 26.982 > 85 86 Al 0.72745683019231 0.62500000000000 0.24734128208015 26.982 > 85 87 Al 0.72745683019231 0.12500000000000 0.74734128208015 26.982 > 85 88 Al 0.72745683019231 0.62500000000000 0.74734128208015 26.982 > 85 89 Al 0.22745683019231 0.12500000000000 0.00265871791985 26.982 > 89 90 Al 0.22745683019231 0.62500000000000 0.00265871791985 26.982 > 89 91 Al 0.22745683019231 0.12500000000000 0.50265871791985 26.982 > 89 92 Al 0.22745683019231 0.62500000000000 0.50265871791985 26.982 > 89 93 Al 0.27254316980769 0.37500000000000 0.25265871791985 26.982 > 93 94 Al 0.27254316980769 0.87500000000000 0.25265871791985 26.982 > 93 95 Al 0.27254316980769 0.37500000000000 0.75265871791985 26.982 > 93 96 Al 0.27254316980769 0.87500000000000 0.75265871791985 26.982 > 93 97 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 97 98 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 97 99 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 97 100 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 97 101 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 101 102 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 101 103 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 101 104 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 101 105 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 105 106 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 105 107 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 105 108 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 105 109 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 109 110 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 109 111 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 109 112 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1754659 0.0000000 0.0000000 0.0000000 3.1974821 0.0000000 0.0000000 0.0000000 3.1677061 -------------------------- Born effective charges -------------------------- 1 Be 1.5942313 0.0000000 0.0044262 0.0000000 1.6843546 0.0000000 0.0083664 0.0000000 1.9521795 2 Be 1.5942313 0.0000000 0.0044262 0.0000000 1.6843546 0.0000000 0.0083664 0.0000000 1.9521795 3 Be 1.5942313 0.0000000 -0.0044262 0.0000000 1.6843546 0.0000000 -0.0083664 0.0000000 1.9521795 4 Be 1.5942313 0.0000000 -0.0044262 0.0000000 1.6843546 0.0000000 -0.0083664 0.0000000 1.9521795 5 O -1.8443868 0.1197107 -0.0770291 0.1125403 -2.0479117 0.1616372 -0.0729321 0.1825432 -1.8030174 6 O -1.8443868 0.1197107 0.0770291 0.1125403 -2.0479117 -0.1616372 0.0729321 -0.1825432 -1.8030174 7 O -1.8443868 -0.1197107 -0.0770291 -0.1125403 -2.0479117 -0.1616372 -0.0729321 -0.1825432 -1.8030174 8 O -1.8443868 -0.1197107 0.0770291 -0.1125403 -2.0479117 0.1616372 0.0729321 0.1825432 -1.8030174 9 O -1.8443868 -0.1197107 0.0770291 -0.1125403 -2.0479117 0.1616372 0.0729321 0.1825432 -1.8030174 10 O -1.8443868 0.1197107 -0.0770291 0.1125403 -2.0479117 0.1616372 -0.0729321 0.1825432 -1.8030174 11 O -1.8443868 -0.1197107 -0.0770291 -0.1125403 -2.0479117 -0.1616372 -0.0729321 -0.1825432 -1.8030174 12 O -1.8443868 0.1197107 0.0770291 0.1125403 -2.0479117 -0.1616372 0.0729321 -0.1825432 -1.8030174 13 O -1.7688615 0.0000000 0.0045454 0.0000000 -1.7680547 0.0000000 -0.0078903 0.0000000 -2.1681454 14 O -1.7688615 0.0000000 -0.0045454 0.0000000 -1.7680547 0.0000000 0.0078903 0.0000000 -2.1681454 15 O -1.7688615 0.0000000 0.0045454 0.0000000 -1.7680547 0.0000000 -0.0078903 0.0000000 -2.1681454 16 O -1.7688615 0.0000000 -0.0045454 0.0000000 -1.7680547 0.0000000 0.0078903 0.0000000 -2.1681454 17 O -2.0763543 0.0000000 0.1991236 0.0000000 -1.7821422 0.0000000 0.1913125 0.0000000 -1.8488198 18 O -2.0763543 0.0000000 -0.1991236 0.0000000 -1.7821422 0.0000000 -0.1913125 0.0000000 -1.8488198 19 O -2.0763543 0.0000000 0.1991236 0.0000000 -1.7821422 0.0000000 0.1913125 0.0000000 -1.8488198 20 O -2.0763543 0.0000000 -0.1991236 0.0000000 -1.7821422 0.0000000 -0.1913125 0.0000000 -1.8488198 21 Al 3.1977176 0.0000000 -0.0895364 0.0000000 3.0192043 0.0000000 -0.0846995 0.0000000 2.8882072 22 Al 3.1977176 0.0000000 0.0895364 0.0000000 3.0192043 0.0000000 0.0846995 0.0000000 2.8882072 23 Al 3.1977176 0.0000000 -0.0895364 0.0000000 3.0192043 0.0000000 -0.0846995 0.0000000 2.8882072 24 Al 3.1977176 0.0000000 0.0895364 0.0000000 3.0192043 0.0000000 0.0846995 0.0000000 2.8882072 25 Al 2.7420407 0.1605841 0.0850573 0.1627719 2.9424614 0.1444249 0.0840325 0.1779595 2.7826132 26 Al 2.7420407 0.1605841 -0.0850573 0.1627719 2.9424614 -0.1444249 -0.0840325 -0.1779595 2.7826132 27 Al 2.7420407 -0.1605841 0.0850573 -0.1627719 2.9424614 -0.1444249 0.0840325 -0.1779595 2.7826132 28 Al 2.7420407 -0.1605841 -0.0850573 -0.1627719 2.9424614 0.1444249 -0.0840325 0.1779595 2.7826132 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (yxy) 0.00000005 (yxy) 0.00000005 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:22:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:22:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.423348620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.487196420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.435501020000000 Atomic positions (fractional): 1 Be 0.40749991500781 0.25000000000000 0.56702625612382 9.012 2 Be 0.59250008499219 0.75000000000000 0.43297374387618 9.012 3 Be 0.90749991500781 0.25000000000000 0.93297374387618 9.012 4 Be 0.09250008499219 0.75000000000000 0.06702625612382 9.012 5 O 0.66349720504937 0.51564492347942 0.25643621993708 15.999 6 O 0.83650279495063 0.48435507652058 0.75643621993708 15.999 7 O 0.33650279495063 0.01564492347942 0.74356378006292 15.999 8 O 0.16349720504937 0.98435507652058 0.24356378006292 15.999 9 O 0.83650279495063 0.01564492347942 0.75643621993708 15.999 10 O 0.33650279495063 0.48435507652058 0.74356378006292 15.999 11 O 0.66349720504937 0.98435507652058 0.25643621993708 15.999 12 O 0.16349720504937 0.51564492347942 0.24356378006292 15.999 13 O 0.09040552760944 0.75000000000000 0.71314062347022 15.999 14 O 0.40959447239056 0.25000000000000 0.21314062347022 15.999 15 O 0.90959447239056 0.25000000000000 0.28685937652978 15.999 16 O 0.59040552760944 0.75000000000000 0.78685937652978 15.999 17 O 0.43331803373558 0.75000000000000 0.25956944308551 15.999 18 O 0.06668196626442 0.25000000000000 0.75956944308551 15.999 19 O 0.56668196626442 0.25000000000000 0.74043055691449 15.999 20 O 0.93331803373558 0.75000000000000 0.24043055691449 15.999 21 Al 0.77254316980769 0.75000000000000 0.99468256416030 26.982 22 Al 0.72745683019231 0.25000000000000 0.49468256416030 26.982 23 Al 0.22745683019231 0.25000000000000 0.00531743583970 26.982 24 Al 0.27254316980769 0.75000000000000 0.50531743583970 26.982 25 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 26 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 27 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 28 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.423348620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.974392840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.871002040000000 Atomic positions (fractional): 1 Be 0.40749991500781 0.12500000000000 0.28351312806191 9.012 > 1 2 Be 0.40749991500781 0.62500000000000 0.28351312806191 9.012 > 1 3 Be 0.40749991500781 0.12500000000000 0.78351312806191 9.012 > 1 4 Be 0.40749991500781 0.62500000000000 0.78351312806191 9.012 > 1 5 Be 0.59250008499219 0.37500000000000 0.21648687193809 9.012 > 5 6 Be 0.59250008499219 0.87500000000000 0.21648687193809 9.012 > 5 7 Be 0.59250008499219 0.37500000000000 0.71648687193809 9.012 > 5 8 Be 0.59250008499219 0.87500000000000 0.71648687193809 9.012 > 5 9 Be 0.90749991500781 0.12500000000000 0.46648687193809 9.012 > 9 10 Be 0.90749991500781 0.62500000000000 0.46648687193809 9.012 > 9 11 Be 0.90749991500781 0.12500000000000 0.96648687193809 9.012 > 9 12 Be 0.90749991500781 0.62500000000000 0.96648687193809 9.012 > 9 13 Be 0.09250008499219 0.37500000000000 0.03351312806191 9.012 > 13 14 Be 0.09250008499219 0.87500000000000 0.03351312806191 9.012 > 13 15 Be 0.09250008499219 0.37500000000000 0.53351312806191 9.012 > 13 16 Be 0.09250008499219 0.87500000000000 0.53351312806191 9.012 > 13 17 O 0.66349720504937 0.25782246173971 0.12821810996854 15.999 > 17 18 O 0.66349720504937 0.75782246173971 0.12821810996854 15.999 > 17 19 O 0.66349720504937 0.25782246173971 0.62821810996854 15.999 > 17 20 O 0.66349720504937 0.75782246173971 0.62821810996854 15.999 > 17 21 O 0.83650279495063 0.24217753826029 0.37821810996854 15.999 > 21 22 O 0.83650279495063 0.74217753826029 0.37821810996854 15.999 > 21 23 O 0.83650279495063 0.24217753826029 0.87821810996854 15.999 > 21 24 O 0.83650279495063 0.74217753826029 0.87821810996854 15.999 > 21 25 O 0.33650279495063 0.00782246173971 0.37178189003146 15.999 > 25 26 O 0.33650279495063 0.50782246173971 0.37178189003146 15.999 > 25 27 O 0.33650279495063 0.00782246173971 0.87178189003146 15.999 > 25 28 O 0.33650279495063 0.50782246173971 0.87178189003146 15.999 > 25 29 O 0.16349720504937 0.49217753826029 0.12178189003146 15.999 > 29 30 O 0.16349720504937 0.99217753826029 0.12178189003146 15.999 > 29 31 O 0.16349720504937 0.49217753826029 0.62178189003146 15.999 > 29 32 O 0.16349720504937 0.99217753826029 0.62178189003146 15.999 > 29 33 O 0.83650279495063 0.00782246173971 0.37821810996854 15.999 > 33 34 O 0.83650279495063 0.50782246173971 0.37821810996854 15.999 > 33 35 O 0.83650279495063 0.00782246173971 0.87821810996854 15.999 > 33 36 O 0.83650279495063 0.50782246173971 0.87821810996854 15.999 > 33 37 O 0.33650279495063 0.24217753826029 0.37178189003146 15.999 > 37 38 O 0.33650279495063 0.74217753826029 0.37178189003146 15.999 > 37 39 O 0.33650279495063 0.24217753826029 0.87178189003146 15.999 > 37 40 O 0.33650279495063 0.74217753826029 0.87178189003146 15.999 > 37 41 O 0.66349720504937 0.49217753826029 0.12821810996854 15.999 > 41 42 O 0.66349720504937 0.99217753826029 0.12821810996854 15.999 > 41 43 O 0.66349720504937 0.49217753826029 0.62821810996854 15.999 > 41 44 O 0.66349720504937 0.99217753826029 0.62821810996854 15.999 > 41 45 O 0.16349720504937 0.25782246173971 0.12178189003146 15.999 > 45 46 O 0.16349720504937 0.75782246173971 0.12178189003146 15.999 > 45 47 O 0.16349720504937 0.25782246173971 0.62178189003146 15.999 > 45 48 O 0.16349720504937 0.75782246173971 0.62178189003146 15.999 > 45 49 O 0.09040552760944 0.37500000000000 0.35657031173511 15.999 > 49 50 O 0.09040552760944 0.87500000000000 0.35657031173511 15.999 > 49 51 O 0.09040552760944 0.37500000000000 0.85657031173511 15.999 > 49 52 O 0.09040552760944 0.87500000000000 0.85657031173511 15.999 > 49 53 O 0.40959447239056 0.12500000000000 0.10657031173511 15.999 > 53 54 O 0.40959447239056 0.62500000000000 0.10657031173511 15.999 > 53 55 O 0.40959447239056 0.12500000000000 0.60657031173511 15.999 > 53 56 O 0.40959447239056 0.62500000000000 0.60657031173511 15.999 > 53 57 O 0.90959447239056 0.12500000000000 0.14342968826489 15.999 > 57 58 O 0.90959447239056 0.62500000000000 0.14342968826489 15.999 > 57 59 O 0.90959447239056 0.12500000000000 0.64342968826489 15.999 > 57 60 O 0.90959447239056 0.62500000000000 0.64342968826489 15.999 > 57 61 O 0.59040552760944 0.37500000000000 0.39342968826489 15.999 > 61 62 O 0.59040552760944 0.87500000000000 0.39342968826489 15.999 > 61 63 O 0.59040552760944 0.37500000000000 0.89342968826489 15.999 > 61 64 O 0.59040552760944 0.87500000000000 0.89342968826489 15.999 > 61 65 O 0.43331803373558 0.37500000000000 0.12978472154275 15.999 > 65 66 O 0.43331803373558 0.87500000000000 0.12978472154275 15.999 > 65 67 O 0.43331803373558 0.37500000000000 0.62978472154275 15.999 > 65 68 O 0.43331803373558 0.87500000000000 0.62978472154275 15.999 > 65 69 O 0.06668196626442 0.12500000000000 0.37978472154275 15.999 > 69 70 O 0.06668196626442 0.62500000000000 0.37978472154275 15.999 > 69 71 O 0.06668196626442 0.12500000000000 0.87978472154275 15.999 > 69 72 O 0.06668196626442 0.62500000000000 0.87978472154275 15.999 > 69 73 O 0.56668196626442 0.12500000000000 0.37021527845725 15.999 > 73 74 O 0.56668196626442 0.62500000000000 0.37021527845725 15.999 > 73 75 O 0.56668196626442 0.12500000000000 0.87021527845725 15.999 > 73 76 O 0.56668196626442 0.62500000000000 0.87021527845725 15.999 > 73 77 O 0.93331803373558 0.37500000000000 0.12021527845725 15.999 > 77 78 O 0.93331803373558 0.87500000000000 0.12021527845725 15.999 > 77 79 O 0.93331803373558 0.37500000000000 0.62021527845725 15.999 > 77 80 O 0.93331803373558 0.87500000000000 0.62021527845725 15.999 > 77 81 Al 0.77254316980769 0.37500000000000 0.49734128208015 26.982 > 81 82 Al 0.77254316980769 0.87500000000000 0.49734128208015 26.982 > 81 83 Al 0.77254316980769 0.37500000000000 0.99734128208015 26.982 > 81 84 Al 0.77254316980769 0.87500000000000 0.99734128208015 26.982 > 81 85 Al 0.72745683019231 0.12500000000000 0.24734128208015 26.982 > 85 86 Al 0.72745683019231 0.62500000000000 0.24734128208015 26.982 > 85 87 Al 0.72745683019231 0.12500000000000 0.74734128208015 26.982 > 85 88 Al 0.72745683019231 0.62500000000000 0.74734128208015 26.982 > 85 89 Al 0.22745683019231 0.12500000000000 0.00265871791985 26.982 > 89 90 Al 0.22745683019231 0.62500000000000 0.00265871791985 26.982 > 89 91 Al 0.22745683019231 0.12500000000000 0.50265871791985 26.982 > 89 92 Al 0.22745683019231 0.62500000000000 0.50265871791985 26.982 > 89 93 Al 0.27254316980769 0.37500000000000 0.25265871791985 26.982 > 93 94 Al 0.27254316980769 0.87500000000000 0.25265871791985 26.982 > 93 95 Al 0.27254316980769 0.37500000000000 0.75265871791985 26.982 > 93 96 Al 0.27254316980769 0.87500000000000 0.75265871791985 26.982 > 93 97 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 97 98 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 97 99 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 97 100 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 97 101 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 101 102 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 101 103 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 101 104 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 101 105 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 105 106 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 105 107 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 105 108 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 105 109 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 109 110 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 109 111 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 109 112 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1754659 0.0000000 0.0000000 0.0000000 3.1974821 0.0000000 0.0000000 0.0000000 3.1677061 -------------------------- Born effective charges -------------------------- 1 Be 1.5942313 0.0000000 0.0044262 0.0000000 1.6843546 0.0000000 0.0083664 0.0000000 1.9521795 2 Be 1.5942313 0.0000000 0.0044262 0.0000000 1.6843546 0.0000000 0.0083664 0.0000000 1.9521795 3 Be 1.5942313 0.0000000 -0.0044262 0.0000000 1.6843546 0.0000000 -0.0083664 0.0000000 1.9521795 4 Be 1.5942313 0.0000000 -0.0044262 0.0000000 1.6843546 0.0000000 -0.0083664 0.0000000 1.9521795 5 O -1.8443868 0.1197107 -0.0770291 0.1125403 -2.0479117 0.1616372 -0.0729321 0.1825432 -1.8030174 6 O -1.8443868 0.1197107 0.0770291 0.1125403 -2.0479117 -0.1616372 0.0729321 -0.1825432 -1.8030174 7 O -1.8443868 -0.1197107 -0.0770291 -0.1125403 -2.0479117 -0.1616372 -0.0729321 -0.1825432 -1.8030174 8 O -1.8443868 -0.1197107 0.0770291 -0.1125403 -2.0479117 0.1616372 0.0729321 0.1825432 -1.8030174 9 O -1.8443868 -0.1197107 0.0770291 -0.1125403 -2.0479117 0.1616372 0.0729321 0.1825432 -1.8030174 10 O -1.8443868 0.1197107 -0.0770291 0.1125403 -2.0479117 0.1616372 -0.0729321 0.1825432 -1.8030174 11 O -1.8443868 -0.1197107 -0.0770291 -0.1125403 -2.0479117 -0.1616372 -0.0729321 -0.1825432 -1.8030174 12 O -1.8443868 0.1197107 0.0770291 0.1125403 -2.0479117 -0.1616372 0.0729321 -0.1825432 -1.8030174 13 O -1.7688615 0.0000000 0.0045454 0.0000000 -1.7680547 0.0000000 -0.0078903 0.0000000 -2.1681454 14 O -1.7688615 0.0000000 -0.0045454 0.0000000 -1.7680547 0.0000000 0.0078903 0.0000000 -2.1681454 15 O -1.7688615 0.0000000 0.0045454 0.0000000 -1.7680547 0.0000000 -0.0078903 0.0000000 -2.1681454 16 O -1.7688615 0.0000000 -0.0045454 0.0000000 -1.7680547 0.0000000 0.0078903 0.0000000 -2.1681454 17 O -2.0763543 0.0000000 0.1991236 0.0000000 -1.7821422 0.0000000 0.1913125 0.0000000 -1.8488198 18 O -2.0763543 0.0000000 -0.1991236 0.0000000 -1.7821422 0.0000000 -0.1913125 0.0000000 -1.8488198 19 O -2.0763543 0.0000000 0.1991236 0.0000000 -1.7821422 0.0000000 0.1913125 0.0000000 -1.8488198 20 O -2.0763543 0.0000000 -0.1991236 0.0000000 -1.7821422 0.0000000 -0.1913125 0.0000000 -1.8488198 21 Al 3.1977176 0.0000000 -0.0895364 0.0000000 3.0192043 0.0000000 -0.0846995 0.0000000 2.8882072 22 Al 3.1977176 0.0000000 0.0895364 0.0000000 3.0192043 0.0000000 0.0846995 0.0000000 2.8882072 23 Al 3.1977176 0.0000000 -0.0895364 0.0000000 3.0192043 0.0000000 -0.0846995 0.0000000 2.8882072 24 Al 3.1977176 0.0000000 0.0895364 0.0000000 3.0192043 0.0000000 0.0846995 0.0000000 2.8882072 25 Al 2.7420407 0.1605841 0.0850573 0.1627719 2.9424614 0.1444249 0.0840325 0.1779595 2.7826132 26 Al 2.7420407 0.1605841 -0.0850573 0.1627719 2.9424614 -0.1444249 -0.0840325 -0.1779595 2.7826132 27 Al 2.7420407 -0.1605841 0.0850573 -0.1627719 2.9424614 -0.1444249 0.0840325 -0.1779595 2.7826132 28 Al 2.7420407 -0.1605841 -0.0850573 -0.1627719 2.9424614 0.1444249 -0.0840325 0.1779595 2.7826132 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yxy) 0.00000005 (yxy) 0.00000005 (yyx) 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 ... [ 5 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: 0.68, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 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 4.742 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 7.082 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.412 ( 0.000 0.000 0.000) 0.000 8.625 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 0.000) 0.000 10.510 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.570 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 11.087 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.504 ( 0.000 0.000 0.000) 0.000 12.768 ( 0.000 0.000 0.000) 0.000 12.794 ( 0.000 0.000 0.000) 0.000 12.974 ( 0.000 0.000 0.000) 0.000 13.069 ( 0.000 0.000 0.000) 0.000 13.100 ( 0.000 0.000 0.000) 0.000 13.317 ( 0.000 0.000 0.000) 0.000 13.491 ( 0.000 0.000 0.000) 0.000 13.957 ( 0.000 0.000 0.000) 0.000 14.002 ( 0.000 0.000 0.000) 0.000 14.610 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.692 ( 0.000 0.000 0.000) 0.000 14.692 ( 0.000 0.000 0.000) 0.000 15.151 ( 0.000 0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 15.236 ( 0.000 0.000 0.000) 0.000 15.304 ( 0.000 0.000 0.000) 0.000 15.333 ( 0.000 0.000 0.000) 0.000 15.639 ( 0.000 0.000 0.000) 0.000 15.742 ( 0.000 0.000 0.000) 0.000 16.079 ( 0.000 0.000 0.000) 0.000 16.110 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.294 ( 0.000 0.000 0.000) 0.000 16.584 ( 0.000 0.000 0.000) 0.000 16.649 ( 0.000 0.000 0.000) 0.000 17.664 ( 0.000 0.000 0.000) 0.000 17.749 ( 0.000 0.000 0.000) 0.000 17.794 ( 0.000 0.000 0.000) 0.000 17.998 ( 0.000 0.000 0.000) 0.000 18.198 ( 0.000 0.000 0.000) 0.000 18.321 ( 0.000 0.000 0.000) 0.000 18.843 ( 0.000 0.000 0.000) 0.000 18.898 ( 0.000 0.000 0.000) 0.000 19.221 ( 0.000 0.000 0.000) 0.000 19.276 ( 0.000 0.000 0.000) 0.000 19.330 ( 0.000 0.000 0.000) 0.000 19.463 ( 0.000 0.000 0.000) 0.000 19.919 ( 0.000 0.000 0.000) 0.000 20.513 ( 0.000 0.000 0.000) 0.000 21.027 ( 0.000 0.000 0.000) 0.000 21.281 ( 0.000 0.000 0.000) 0.000 21.582 ( 0.000 0.000 0.000) 0.000 22.036 ( 0.000 0.000 0.000) 0.000 22.038 ( 0.000 0.000 0.000) 0.000 22.129 ( 0.000 0.000 0.000) 0.000 22.516 ( 0.000 0.000 0.000) 0.000 22.588 ( 0.000 0.000 0.000) 0.000 22.624 ( 0.000 0.000 0.000) 0.000 22.963 ( 0.000 0.000 0.000) 0.000 23.461 ( 0.000 0.000 0.000) 0.000 24.164 ( 0.000 0.000 0.000) 0.000 24.309 ( 0.000 0.000 0.000) 0.000 27.037 ( 0.000 0.000 0.000) 0.000 28.088 ( 0.000 0.000 0.000) 0.000 28.326 ( 0.000 0.000 0.000) 0.000 28.433 ( 0.000 0.000 0.000) 0.000 28.911 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 60.652 0.000 0.000) 60.652 1.382 ( 64.638 0.000 0.000) 64.638 2.261 ( 105.533 0.000 0.000) 105.533 4.443 ( -27.387 0.000 0.000) 27.387 5.225 ( -51.981 0.000 0.000) 51.981 6.864 ( 5.295 0.000 0.000) 5.295 7.775 ( 45.771 0.000 0.000) 45.771 8.013 ( -23.598 0.000 0.000) 23.598 8.383 ( -77.768 0.000 0.000) 77.768 8.498 ( 20.127 0.000 0.000) 20.127 8.932 ( 14.660 0.000 0.000) 14.660 9.533 ( 3.464 0.000 0.000) 3.464 10.092 ( -5.089 0.000 0.000) 5.089 10.248 ( 5.533 0.000 0.000) 5.533 10.294 ( -18.160 0.000 0.000) 18.160 10.315 ( -6.546 0.000 0.000) 6.546 10.410 ( -11.812 0.000 0.000) 11.812 10.443 ( -4.727 0.000 0.000) 4.727 10.876 ( 15.934 0.000 0.000) 15.934 10.876 ( -7.233 0.000 0.000) 7.233 10.948 ( 12.348 0.000 0.000) 12.348 11.188 ( 18.789 0.000 0.000) 18.789 11.361 ( 4.987 0.000 0.000) 4.987 11.679 ( 8.551 0.000 0.000) 8.551 12.392 ( 6.659 0.000 0.000) 6.659 12.585 ( -23.632 0.000 0.000) 23.632 12.661 ( 1.294 0.000 0.000) 1.294 12.676 ( -9.953 0.000 0.000) 9.953 13.100 ( -5.878 0.000 0.000) 5.878 13.363 ( 3.862 0.000 0.000) 3.862 13.464 ( 12.065 0.000 0.000) 12.065 13.469 ( -4.664 0.000 0.000) 4.664 13.484 ( 36.264 0.000 0.000) 36.264 13.978 ( 3.306 0.000 0.000) 3.306 14.077 ( 6.347 0.000 0.000) 6.347 14.389 ( -9.143 0.000 0.000) 9.143 14.632 ( 1.363 0.000 0.000) 1.363 14.838 ( 2.168 0.000 0.000) 2.168 14.875 ( -19.022 0.000 0.000) 19.022 15.184 ( -8.158 0.000 0.000) 8.158 15.228 ( 1.732 0.000 0.000) 1.732 15.282 ( 3.675 0.000 0.000) 3.675 15.414 ( 8.500 0.000 0.000) 8.500 15.599 ( -4.419 0.000 0.000) 4.419 15.655 ( -6.215 0.000 0.000) 6.215 16.054 ( -5.215 0.000 0.000) 5.215 16.104 ( 2.491 0.000 0.000) 2.491 16.198 ( 0.011 0.000 0.000) 0.011 16.354 ( 5.893 0.000 0.000) 5.893 16.433 ( -6.082 0.000 0.000) 6.082 16.517 ( -5.947 0.000 0.000) 5.947 16.825 ( -12.681 0.000 0.000) 12.681 17.833 ( 3.451 0.000 0.000) 3.451 17.914 ( 15.020 0.000 0.000) 15.020 18.020 ( 1.235 0.000 0.000) 1.235 18.326 ( 1.176 0.000 0.000) 1.176 18.372 ( 13.745 0.000 0.000) 13.745 18.778 ( -9.036 0.000 0.000) 9.036 18.853 ( 0.533 0.000 0.000) 0.533 19.253 ( -8.878 0.000 0.000) 8.878 19.300 ( 2.228 0.000 0.000) 2.228 19.344 ( 3.295 0.000 0.000) 3.295 19.453 ( 9.127 0.000 0.000) 9.127 19.892 ( -2.620 0.000 0.000) 2.620 19.912 ( -11.578 0.000 0.000) 11.578 20.376 ( -11.762 0.000 0.000) 11.762 21.239 ( 15.322 0.000 0.000) 15.322 21.327 ( 4.374 0.000 0.000) 4.374 21.671 ( 6.880 0.000 0.000) 6.880 21.925 ( -9.533 0.000 0.000) 9.533 22.064 ( -5.007 0.000 0.000) 5.007 22.327 ( -5.563 0.000 0.000) 5.563 22.527 ( -2.420 0.000 0.000) 2.420 22.595 ( 0.128 0.000 0.000) 0.128 22.956 ( 16.506 0.000 0.000) 16.506 23.561 ( 8.486 0.000 0.000) 8.486 24.116 ( -4.523 0.000 0.000) 4.523 24.163 ( -13.093 0.000 0.000) 13.093 27.115 ( 6.824 0.000 0.000) 6.824 27.609 ( -4.289 0.000 0.000) 4.289 28.096 ( 0.833 0.000 0.000) 0.833 28.252 ( -4.244 0.000 0.000) 4.244 28.541 ( 7.316 0.000 0.000) 7.316 28.986 ( -3.976 0.000 0.000) 3.976 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 55.880 0.000 0.000) 55.880 2.734 ( 62.489 0.000 0.000) 62.489 3.645 ( -46.050 0.000 0.000) 46.050 4.012 ( -52.959 0.000 0.000) 52.959 4.485 ( 95.227 0.000 0.000) 95.227 6.543 ( -93.316 0.000 0.000) 93.316 7.094 ( 16.144 0.000 0.000) 16.144 7.515 ( -22.530 0.000 0.000) 22.530 8.756 ( 45.066 0.000 0.000) 45.066 8.941 ( 17.764 0.000 0.000) 17.764 9.121 ( 1.468 0.000 0.000) 1.468 9.637 ( -36.473 0.000 0.000) 36.473 9.670 ( 10.531 0.000 0.000) 10.531 10.000 ( -18.906 0.000 0.000) 18.906 10.129 ( 3.173 0.000 0.000) 3.173 10.247 ( -5.770 0.000 0.000) 5.770 10.287 ( -0.760 0.000 0.000) 0.760 10.336 ( -4.613 0.000 0.000) 4.613 10.935 ( 12.302 0.000 0.000) 12.302 11.193 ( 0.422 0.000 0.000) 0.422 11.257 ( 0.279 0.000 0.000) 0.279 11.306 ( 23.173 0.000 0.000) 23.173 11.384 ( -3.101 0.000 0.000) 3.101 11.739 ( -11.078 0.000 0.000) 11.078 12.237 ( -1.511 0.000 0.000) 1.511 12.423 ( -12.754 0.000 0.000) 12.754 12.666 ( 15.933 0.000 0.000) 15.933 12.828 ( 13.830 0.000 0.000) 13.830 12.932 ( -9.782 0.000 0.000) 9.782 13.214 ( -18.389 0.000 0.000) 18.389 13.464 ( 5.271 0.000 0.000) 5.271 13.558 ( -2.125 0.000 0.000) 2.125 14.142 ( 11.880 0.000 0.000) 11.880 14.221 ( 5.795 0.000 0.000) 5.795 14.290 ( -1.642 0.000 0.000) 1.642 14.344 ( 37.602 0.000 0.000) 37.602 14.473 ( -13.864 0.000 0.000) 13.864 14.679 ( 3.303 0.000 0.000) 3.303 14.779 ( -5.465 0.000 0.000) 5.465 15.016 ( -12.503 0.000 0.000) 12.503 15.214 ( -2.224 0.000 0.000) 2.224 15.301 ( -17.622 0.000 0.000) 17.622 15.395 ( 6.364 0.000 0.000) 6.364 15.531 ( -5.945 0.000 0.000) 5.945 15.656 ( 12.427 0.000 0.000) 12.427 15.894 ( -9.612 0.000 0.000) 9.612 16.195 ( 6.227 0.000 0.000) 6.227 16.226 ( 3.357 0.000 0.000) 3.357 16.314 ( -4.554 0.000 0.000) 4.554 16.357 ( -8.398 0.000 0.000) 8.398 16.459 ( 3.883 0.000 0.000) 3.883 16.578 ( -8.756 0.000 0.000) 8.756 17.925 ( 4.678 0.000 0.000) 4.678 18.009 ( -2.633 0.000 0.000) 2.633 18.341 ( 23.704 0.000 0.000) 23.704 18.404 ( 6.311 0.000 0.000) 6.311 18.576 ( -9.338 0.000 0.000) 9.338 18.661 ( 11.171 0.000 0.000) 11.171 18.830 ( -3.690 0.000 0.000) 3.690 18.862 ( -22.872 0.000 0.000) 22.872 19.374 ( 4.683 0.000 0.000) 4.683 19.456 ( -0.051 0.000 0.000) 0.051 19.650 ( 8.688 0.000 0.000) 8.688 19.804 ( -5.718 0.000 0.000) 5.718 19.806 ( 5.598 0.000 0.000) 5.598 20.072 ( -15.493 0.000 0.000) 15.493 21.467 ( 8.783 0.000 0.000) 8.783 21.547 ( 12.582 0.000 0.000) 12.582 21.689 ( -11.618 0.000 0.000) 11.618 21.742 ( -3.992 0.000 0.000) 3.992 22.024 ( 4.410 0.000 0.000) 4.410 22.181 ( -7.999 0.000 0.000) 7.999 22.528 ( 1.923 0.000 0.000) 1.923 22.577 ( -1.932 0.000 0.000) 1.932 23.355 ( 20.573 0.000 0.000) 20.573 23.772 ( 10.448 0.000 0.000) 10.448 23.798 ( -20.156 0.000 0.000) 20.156 23.977 ( -8.369 0.000 0.000) 8.369 27.294 ( 9.199 0.000 0.000) 9.199 27.479 ( -7.754 0.000 0.000) 7.754 28.124 ( 1.798 0.000 0.000) 1.798 28.174 ( -2.995 0.000 0.000) 2.995 28.707 ( 8.003 0.000 0.000) 8.003 28.868 ( -6.850 0.000 0.000) 6.850 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 60.135 0.000) 60.135 1.252 ( 0.000 62.162 0.000) 62.162 2.223 ( 0.000 108.596 0.000) 108.596 5.157 ( 0.000 38.622 0.000) 38.622 6.069 ( 0.000 8.698 0.000) 8.698 6.940 ( 0.000 10.129 0.000) 10.129 7.181 ( 0.000 9.579 0.000) 9.579 8.157 ( 0.000 -8.674 0.000) 8.674 8.537 ( 0.000 6.665 0.000) 6.665 8.850 ( 0.000 21.095 0.000) 21.095 9.222 ( 0.000 -28.580 0.000) 28.580 9.572 ( 0.000 9.716 0.000) 9.716 9.948 ( 0.000 -18.776 0.000) 18.776 10.176 ( 0.000 -22.372 0.000) 22.372 10.205 ( 0.000 -1.892 0.000) 1.892 10.416 ( 0.000 -4.779 0.000) 4.779 10.450 ( 0.000 15.139 0.000) 15.139 10.705 ( 0.000 9.725 0.000) 9.725 10.782 ( 0.000 -0.738 0.000) 0.738 10.875 ( 0.000 3.324 0.000) 3.324 10.887 ( 0.000 -17.173 0.000) 17.173 11.170 ( 0.000 24.647 0.000) 24.647 11.583 ( 0.000 -1.991 0.000) 1.991 11.626 ( 0.000 26.949 0.000) 26.949 12.406 ( 0.000 6.507 0.000) 6.507 12.579 ( 0.000 6.113 0.000) 6.113 12.626 ( 0.000 -13.139 0.000) 13.139 12.711 ( 0.000 -5.366 0.000) 5.366 13.051 ( 0.000 5.931 0.000) 5.931 13.062 ( 0.000 -2.993 0.000) 2.993 13.171 ( 0.000 -3.981 0.000) 3.981 13.362 ( 0.000 4.302 0.000) 4.302 13.648 ( 0.000 10.935 0.000) 10.935 14.099 ( 0.000 13.749 0.000) 13.749 14.190 ( 0.000 16.338 0.000) 16.338 14.517 ( 0.000 -10.321 0.000) 10.321 14.677 ( 0.000 5.468 0.000) 5.468 14.704 ( 0.000 -3.506 0.000) 3.506 15.068 ( 0.000 -0.825 0.000) 0.825 15.094 ( 0.000 -14.478 0.000) 14.478 15.107 ( 0.000 -9.993 0.000) 9.993 15.130 ( 0.000 -2.122 0.000) 2.122 15.164 ( 0.000 -3.425 0.000) 3.425 15.423 ( 0.000 1.792 0.000) 1.792 15.700 ( 0.000 5.623 0.000) 5.623 15.813 ( 0.000 7.074 0.000) 7.074 15.869 ( 0.000 -15.929 0.000) 15.929 16.156 ( 0.000 -1.265 0.000) 1.265 16.453 ( 0.000 7.912 0.000) 7.912 16.618 ( 0.000 2.807 0.000) 2.807 16.658 ( 0.000 0.750 0.000) 0.750 17.482 ( 0.000 -16.948 0.000) 16.948 17.602 ( 0.000 -5.737 0.000) 5.737 17.682 ( 0.000 -6.914 0.000) 6.914 17.897 ( 0.000 -9.580 0.000) 9.580 18.008 ( 0.000 -1.180 0.000) 1.180 18.260 ( 0.000 -3.300 0.000) 3.300 18.485 ( 0.000 18.506 0.000) 18.506 18.680 ( 0.000 -13.531 0.000) 13.531 19.276 ( 0.000 5.232 0.000) 5.232 19.288 ( 0.000 -1.962 0.000) 1.962 19.291 ( 0.000 0.845 0.000) 0.845 19.590 ( 0.000 0.087 0.000) 0.087 19.601 ( 0.000 10.525 0.000) 10.525 19.930 ( 0.000 -0.765 0.000) 0.765 20.374 ( 0.000 -12.070 0.000) 12.070 21.017 ( 0.000 -0.892 0.000) 0.892 21.513 ( 0.000 -6.592 0.000) 6.592 21.896 ( 0.000 -8.889 0.000) 8.889 21.933 ( 0.000 -10.236 0.000) 10.236 21.960 ( 0.000 -11.254 0.000) 11.254 22.409 ( 0.000 -22.176 0.000) 22.176 22.589 ( 0.000 -13.946 0.000) 13.946 22.615 ( 0.000 -0.929 0.000) 0.929 22.813 ( 0.000 17.147 0.000) 17.147 23.777 ( 0.000 22.523 0.000) 22.523 24.366 ( 0.000 7.816 0.000) 7.816 24.622 ( 0.000 34.558 0.000) 34.558 26.983 ( 0.000 -5.294 0.000) 5.294 27.976 ( 0.000 -7.083 0.000) 7.083 28.147 ( 0.000 2.252 0.000) 2.252 28.311 ( 0.000 -1.397 0.000) 1.397 28.407 ( 0.000 -2.511 0.000) 2.511 28.868 ( 0.000 -4.160 0.000) 4.160 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 48.349 39.145 0.000) 62.209 1.946 ( 47.927 44.507 0.000) 65.406 3.068 ( 71.143 73.692 0.000) 102.430 4.841 ( -28.360 36.435 0.000) 46.172 5.337 ( -50.383 11.372 0.000) 51.651 6.942 ( 1.055 7.563 0.000) 7.636 7.847 ( 44.095 7.214 0.000) 44.681 8.188 ( -22.080 13.198 0.000) 25.724 8.400 ( 18.404 -7.859 0.000) 20.012 8.595 ( -67.894 19.136 0.000) 70.539 9.093 ( 11.959 13.847 0.000) 18.296 9.251 ( 2.717 -28.410 0.000) 28.539 9.860 ( -8.433 -21.246 0.000) 22.859 10.058 ( -6.657 -23.984 0.000) 24.890 10.150 ( -8.776 2.355 0.000) 9.087 10.231 ( 0.966 5.442 0.000) 5.527 10.569 ( -16.411 7.159 0.000) 17.904 10.673 ( -2.400 9.319 0.000) 9.624 10.865 ( 15.009 5.733 0.000) 16.066 10.964 ( 1.948 1.558 0.000) 2.494 11.029 ( 15.670 2.824 0.000) 15.923 11.405 ( 10.174 16.443 0.000) 19.336 11.418 ( -2.163 9.883 0.000) 10.117 11.741 ( 6.172 2.597 0.000) 6.696 12.452 ( 4.272 3.561 0.000) 5.561 12.548 ( -1.474 -6.062 0.000) 6.239 12.563 ( -23.019 0.361 0.000) 23.022 12.696 ( 0.596 -0.905 0.000) 1.084 12.916 ( 4.316 -9.687 0.000) 10.605 13.388 ( 2.888 2.438 0.000) 3.780 13.438 ( 14.009 -1.864 0.000) 14.133 13.442 ( 30.220 -1.478 0.000) 30.256 13.570 ( -7.937 8.151 0.000) 11.377 14.085 ( -0.112 9.814 0.000) 9.814 14.265 ( 6.094 15.567 0.000) 16.717 14.393 ( -5.375 0.184 0.000) 5.378 14.689 ( 0.827 4.655 0.000) 4.728 14.748 ( -1.683 -6.428 0.000) 6.644 14.904 ( -14.539 3.273 0.000) 14.903 15.111 ( 3.421 -10.435 0.000) 10.982 15.166 ( 5.050 -9.889 0.000) 11.103 15.199 ( -0.108 -4.385 0.000) 4.387 15.269 ( -3.027 -9.273 0.000) 9.755 15.598 ( 17.924 -15.826 0.000) 23.911 15.652 ( -6.081 4.481 0.000) 7.554 15.787 ( -2.158 9.439 0.000) 9.683 15.836 ( -2.358 -14.571 0.000) 14.761 16.242 ( 1.610 0.113 0.000) 1.614 16.340 ( -3.870 -1.038 0.000) 4.007 16.617 ( -3.198 2.201 0.000) 3.882 16.658 ( 1.401 10.827 0.000) 10.917 17.175 ( -21.219 16.922 0.000) 27.141 17.658 ( 5.514 -16.296 0.000) 17.204 17.741 ( 5.316 -12.566 0.000) 13.644 18.023 ( 0.301 -6.822 0.000) 6.829 18.139 ( 15.254 -23.992 0.000) 28.430 18.328 ( 7.831 3.333 0.000) 8.511 18.496 ( -1.778 -1.266 0.000) 2.183 18.742 ( 4.586 -9.860 0.000) 10.874 19.266 ( -5.869 0.374 0.000) 5.881 19.279 ( -0.871 -1.558 0.000) 1.785 19.353 ( 5.216 3.473 0.000) 6.267 19.591 ( 1.710 -7.350 0.000) 7.546 19.733 ( 7.080 13.163 0.000) 14.947 19.893 ( -3.483 -2.073 0.000) 4.053 20.293 ( -7.075 -6.764 0.000) 9.788 20.900 ( -2.135 -5.331 0.000) 5.743 21.585 ( 6.061 -8.356 0.000) 10.323 21.672 ( -13.011 -12.950 0.000) 18.357 21.924 ( 1.003 6.442 0.000) 6.520 22.108 ( 5.731 -4.354 0.000) 7.197 22.184 ( -12.534 -16.887 0.000) 21.030 22.489 ( -3.042 -4.258 0.000) 5.233 22.681 ( -10.261 11.953 0.000) 15.753 22.885 ( 18.109 -3.588 0.000) 18.461 23.886 ( 7.528 19.311 0.000) 20.726 24.233 ( -10.881 12.132 0.000) 16.297 24.547 ( -5.668 35.285 0.000) 35.737 27.066 ( 7.310 -4.799 0.000) 8.744 27.731 ( -13.905 3.668 0.000) 14.380 28.105 ( 0.016 1.415 0.000) 1.416 28.240 ( -3.996 -1.090 0.000) 4.142 28.510 ( 6.943 -2.933 0.000) 7.537 28.898 ( -1.308 -6.802 0.000) 6.927 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 56.706 23.184 0.000) 61.262 3.009 ( 50.540 37.492 0.000) 62.928 4.042 ( -44.681 34.929 0.000) 56.713 4.183 ( -54.977 16.471 0.000) 57.391 4.829 ( 86.581 35.662 0.000) 93.638 6.568 ( -63.896 7.892 0.000) 64.381 7.459 ( -7.626 29.805 0.000) 30.765 7.716 ( -20.194 17.196 0.000) 26.523 8.794 ( 41.381 2.779 0.000) 41.474 8.848 ( 19.683 -10.157 0.000) 22.149 9.178 ( -4.895 1.174 0.000) 5.034 9.342 ( 4.088 -25.830 0.000) 26.152 9.612 ( -11.789 -21.991 0.000) 24.952 9.711 ( -29.798 5.628 0.000) 30.325 10.037 ( 4.957 -14.029 0.000) 14.879 10.206 ( -8.585 1.389 0.000) 8.696 10.412 ( 7.106 13.201 0.000) 14.992 10.608 ( -7.458 17.644 0.000) 19.156 11.041 ( 8.745 7.474 0.000) 11.504 11.224 ( 2.028 2.020 0.000) 2.863 11.240 ( 13.541 1.791 0.000) 13.659 11.417 ( -1.418 2.494 0.000) 2.869 11.457 ( 4.394 9.181 0.000) 10.178 11.742 ( -12.025 0.162 0.000) 12.026 12.224 ( -1.578 -2.445 0.000) 2.910 12.363 ( -9.105 -6.511 0.000) 11.193 12.720 ( 9.412 5.296 0.000) 10.800 12.864 ( 17.210 4.419 0.000) 17.768 12.879 ( -5.742 -1.609 0.000) 5.963 13.283 ( -18.645 6.193 0.000) 19.647 13.479 ( 5.442 1.275 0.000) 5.590 13.579 ( -1.769 0.609 0.000) 1.871 14.131 ( 28.878 -10.047 0.000) 30.576 14.175 ( 9.882 3.224 0.000) 10.395 14.360 ( -0.601 7.559 0.000) 7.583 14.373 ( 1.620 7.265 0.000) 7.443 14.529 ( -11.575 5.152 0.000) 12.670 14.607 ( -11.545 -10.160 0.000) 15.379 14.870 ( 12.086 12.975 0.000) 17.731 15.061 ( -2.172 -1.830 0.000) 2.841 15.152 ( -3.354 -5.792 0.000) 6.694 15.253 ( -9.450 -5.510 0.000) 10.939 15.303 ( 7.307 -9.002 0.000) 11.594 15.458 ( -8.333 -3.528 0.000) 9.049 15.721 ( 1.474 -0.985 0.000) 1.772 15.788 ( -2.627 -10.183 0.000) 10.516 15.880 ( 8.285 -5.156 0.000) 9.758 16.071 ( -10.194 -3.078 0.000) 10.648 16.435 ( 6.028 -1.661 0.000) 6.253 16.544 ( -3.880 0.826 0.000) 3.967 16.673 ( 1.225 17.766 0.000) 17.808 16.796 ( -12.218 21.070 0.000) 24.357 17.771 ( 4.766 -14.110 0.000) 14.893 17.833 ( 0.421 -15.304 0.000) 15.310 18.067 ( 6.370 -16.590 0.000) 17.771 18.243 ( -6.986 -21.958 0.000) 23.042 18.583 ( 10.609 -8.488 0.000) 13.586 18.584 ( 13.747 4.935 0.000) 14.606 18.804 ( 0.537 -0.888 0.000) 1.038 19.011 ( -16.037 8.236 0.000) 18.028 19.286 ( 2.653 -6.860 0.000) 7.356 19.380 ( -3.975 -4.694 0.000) 6.151 19.651 ( 5.279 -7.522 0.000) 9.190 19.786 ( -6.316 -4.420 0.000) 7.709 19.894 ( 9.269 15.178 0.000) 17.784 20.105 ( -9.966 4.583 0.000) 10.969 21.056 ( 13.564 -13.881 0.000) 19.408 21.369 ( -14.933 -13.589 0.000) 20.190 21.749 ( 8.511 -11.897 0.000) 14.628 21.923 ( -6.457 -1.549 0.000) 6.640 22.044 ( 3.378 -2.554 0.000) 4.235 22.148 ( -2.743 6.543 0.000) 7.095 22.450 ( -0.700 -4.428 0.000) 4.483 22.488 ( -5.640 -1.089 0.000) 5.744 23.324 ( 22.226 -2.237 0.000) 22.339 23.779 ( -18.824 -1.747 0.000) 18.905 24.197 ( 8.910 34.149 0.000) 35.293 24.396 ( -8.599 34.360 0.000) 35.420 27.260 ( 10.277 -3.395 0.000) 10.823 27.483 ( -10.607 -0.551 0.000) 10.622 28.123 ( 1.513 0.137 0.000) 1.520 28.168 ( -2.731 -0.510 0.000) 2.778 28.667 ( 7.461 -3.853 0.000) 8.397 28.813 ( -5.951 -5.090 0.000) 7.831 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 0.000 61.840 0.000) 61.840 2.520 ( 0.000 63.094 0.000) 63.094 4.374 ( 0.000 103.334 0.000) 103.334 6.170 ( 0.000 57.879 0.000) 57.879 6.339 ( 0.000 18.061 0.000) 18.061 7.176 ( 0.000 11.668 0.000) 11.668 7.452 ( 0.000 16.068 0.000) 16.068 7.921 ( 0.000 -15.132 0.000) 15.132 8.382 ( 0.000 -27.369 0.000) 27.369 8.449 ( 0.000 -42.871 0.000) 42.871 9.398 ( 0.000 29.791 0.000) 29.791 9.622 ( 0.000 -30.939 0.000) 30.939 9.801 ( 0.000 10.970 0.000) 10.970 9.807 ( 0.000 8.840 0.000) 8.840 10.345 ( 0.000 13.042 0.000) 13.042 10.384 ( 0.000 5.637 0.000) 5.637 10.470 ( 0.000 -22.164 0.000) 22.164 10.842 ( 0.000 19.986 0.000) 19.986 10.919 ( 0.000 12.567 0.000) 12.567 10.925 ( 0.000 11.518 0.000) 11.518 10.972 ( 0.000 6.133 0.000) 6.133 11.397 ( 0.000 -17.352 0.000) 17.352 11.615 ( 0.000 19.673 0.000) 19.673 12.117 ( 0.000 21.101 0.000) 21.101 12.342 ( 0.000 -13.843 0.000) 13.843 12.543 ( 0.000 -5.075 0.000) 5.075 12.560 ( 0.000 -12.538 0.000) 12.538 12.608 ( 0.000 7.223 0.000) 7.223 13.088 ( 0.000 6.704 0.000) 6.704 13.125 ( 0.000 -0.272 0.000) 0.272 13.192 ( 0.000 7.522 0.000) 7.522 13.481 ( 0.000 7.148 0.000) 7.148 13.870 ( 0.000 10.977 0.000) 10.977 14.373 ( 0.000 -1.479 0.000) 1.479 14.439 ( 0.000 16.554 0.000) 16.554 14.536 ( 0.000 -13.625 0.000) 13.625 14.569 ( 0.000 18.165 0.000) 18.165 14.796 ( 0.000 3.672 0.000) 3.672 14.819 ( 0.000 -15.966 0.000) 15.966 14.821 ( 0.000 -9.691 0.000) 9.691 15.065 ( 0.000 -7.198 0.000) 7.198 15.072 ( 0.000 -2.360 0.000) 2.360 15.083 ( 0.000 3.740 0.000) 3.740 15.351 ( 0.000 -8.280 0.000) 8.280 15.560 ( 0.000 -12.989 0.000) 12.989 15.846 ( 0.000 8.323 0.000) 8.323 16.003 ( 0.000 10.116 0.000) 10.116 16.134 ( 0.000 -0.344 0.000) 0.344 16.543 ( 0.000 0.862 0.000) 0.862 16.659 ( 0.000 -0.197 0.000) 0.197 16.672 ( 0.000 0.478 0.000) 0.478 17.138 ( 0.000 -15.814 0.000) 15.814 17.450 ( 0.000 -8.909 0.000) 8.909 17.459 ( 0.000 -14.460 0.000) 14.460 17.645 ( 0.000 -15.372 0.000) 15.372 17.871 ( 0.000 -10.448 0.000) 10.448 18.287 ( 0.000 4.104 0.000) 4.104 18.410 ( 0.000 -11.122 0.000) 11.122 18.856 ( 0.000 17.707 0.000) 17.707 19.267 ( 0.000 -0.209 0.000) 0.209 19.279 ( 0.000 -2.379 0.000) 2.379 19.401 ( 0.000 5.172 0.000) 5.172 19.623 ( 0.000 4.996 0.000) 4.996 19.815 ( 0.000 9.165 0.000) 9.165 19.836 ( 0.000 -8.450 0.000) 8.450 20.143 ( 0.000 -7.444 0.000) 7.444 20.995 ( 0.000 -1.216 0.000) 1.216 21.339 ( 0.000 -10.248 0.000) 10.248 21.598 ( 0.000 -24.135 0.000) 24.135 21.758 ( 0.000 -4.867 0.000) 4.867 21.788 ( 0.000 -5.589 0.000) 5.589 21.792 ( 0.000 -26.988 0.000) 26.988 22.502 ( 0.000 -1.925 0.000) 1.925 22.588 ( 0.000 -1.717 0.000) 1.717 23.175 ( 0.000 17.576 0.000) 17.576 24.047 ( 0.000 3.645 0.000) 3.645 24.755 ( 0.000 28.523 0.000) 28.523 25.352 ( 0.000 35.848 0.000) 35.848 26.829 ( 0.000 -9.705 0.000) 9.705 27.792 ( 0.000 -11.249 0.000) 11.249 28.188 ( 0.000 2.011 0.000) 2.011 28.274 ( 0.000 -2.100 0.000) 2.100 28.341 ( 0.000 -3.659 0.000) 3.659 28.751 ( 0.000 -7.026 0.000) 7.026 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 30.902 53.585 0.000) 61.856 2.919 ( 34.201 51.595 0.000) 61.901 4.824 ( 40.022 92.856 0.000) 101.114 5.684 ( -45.653 22.703 0.000) 50.987 5.732 ( -35.882 45.905 0.000) 58.265 7.174 ( -0.881 15.722 0.000) 15.746 8.038 ( 35.315 5.208 0.000) 35.697 8.175 ( 17.553 -13.101 0.000) 21.903 8.223 ( -8.919 -13.156 0.000) 15.894 8.484 ( 3.856 -43.392 0.000) 43.563 9.156 ( -51.134 34.333 0.000) 61.590 9.357 ( -9.713 3.709 0.000) 10.397 9.438 ( -11.387 -18.549 0.000) 21.765 9.838 ( 6.809 16.480 0.000) 17.832 10.189 ( 3.106 0.149 0.000) 3.110 10.478 ( -2.479 16.553 0.000) 16.738 10.625 ( 10.393 -13.513 0.000) 17.048 10.728 ( -15.304 8.930 0.000) 17.719 11.022 ( 9.640 8.874 0.000) 13.103 11.031 ( 10.005 7.315 0.000) 12.394 11.123 ( 10.298 7.654 0.000) 12.831 11.478 ( 4.012 -11.829 0.000) 12.491 11.720 ( 1.219 14.094 0.000) 14.146 11.876 ( -11.826 13.862 0.000) 18.221 12.293 ( -4.136 -12.591 0.000) 13.253 12.516 ( -20.544 -10.177 0.000) 22.927 12.613 ( 11.374 -1.652 0.000) 11.494 12.693 ( 7.305 8.714 0.000) 11.371 12.886 ( 4.830 7.501 0.000) 8.921 13.395 ( 10.816 -2.334 0.000) 11.065 13.402 ( 10.953 -0.006 0.000) 10.953 13.528 ( 10.177 8.016 0.000) 12.955 13.742 ( -10.403 7.894 0.000) 13.059 14.268 ( -5.733 5.817 0.000) 8.167 14.467 ( 2.380 7.990 0.000) 8.337 14.613 ( 2.433 17.014 0.000) 17.188 14.626 ( -1.315 -5.891 0.000) 6.036 14.754 ( -3.905 0.306 0.000) 3.917 14.850 ( 7.445 -11.885 0.000) 14.024 14.868 ( 3.712 -17.744 0.000) 18.128 15.034 ( 0.479 8.874 0.000) 8.886 15.072 ( -1.005 -8.386 0.000) 8.446 15.118 ( -4.800 -2.304 0.000) 5.324 15.390 ( 7.249 -8.807 0.000) 11.407 15.563 ( 0.512 -11.102 0.000) 11.113 15.783 ( -7.275 8.042 0.000) 10.844 16.005 ( 1.148 10.750 0.000) 10.811 16.215 ( 5.676 -1.695 0.000) 5.923 16.314 ( -11.125 -1.520 0.000) 11.228 16.633 ( -3.405 -0.121 0.000) 3.407 16.850 ( 8.393 6.147 0.000) 10.403 17.209 ( 2.007 -13.274 0.000) 13.425 17.342 ( -5.449 -10.264 0.000) 11.621 17.428 ( -1.119 -18.031 0.000) 18.066 17.750 ( 9.086 -16.600 0.000) 18.924 17.811 ( -3.990 -10.111 0.000) 10.870 18.368 ( 6.350 -5.016 0.000) 8.092 18.560 ( 11.852 -4.316 0.000) 12.613 18.606 ( -17.009 9.870 0.000) 19.665 19.227 ( -4.312 -3.359 0.000) 5.466 19.292 ( -2.590 2.388 0.000) 3.523 19.457 ( -6.539 -5.434 0.000) 8.502 19.482 ( 4.306 8.646 0.000) 9.659 19.800 ( -2.955 -5.284 0.000) 6.054 20.040 ( 11.649 13.448 0.000) 17.792 20.155 ( 0.703 -5.970 0.000) 6.011 20.819 ( -7.348 -3.920 0.000) 8.329 21.334 ( -1.647 -13.743 0.000) 13.842 21.546 ( -9.001 -1.305 0.000) 9.095 21.625 ( -2.190 -26.743 0.000) 26.832 21.887 ( 9.062 -11.776 0.000) 14.859 21.984 ( 8.594 -6.616 0.000) 10.846 22.441 ( -2.237 -0.494 0.000) 2.291 22.814 ( 17.153 -4.006 0.000) 17.614 22.985 ( -15.378 16.094 0.000) 22.260 24.008 ( -6.697 -1.400 0.000) 6.842 24.780 ( 4.006 33.474 0.000) 33.713 25.296 ( -5.126 36.415 0.000) 36.774 26.925 ( 8.408 -9.038 0.000) 12.344 27.671 ( -10.321 -8.299 0.000) 13.244 28.152 ( -1.740 2.817 0.000) 3.311 28.214 ( -3.150 -1.274 0.000) 3.398 28.432 ( 5.882 -4.583 0.000) 7.457 28.746 ( -1.312 -7.989 0.000) 8.096 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 45.432 40.254 0.000) 60.700 3.809 ( 46.582 39.701 0.000) 61.205 4.658 ( -49.130 29.992 0.000) 57.561 4.828 ( -46.730 38.030 0.000) 60.249 5.915 ( 58.088 67.802 0.000) 89.282 6.969 ( -28.950 30.038 0.000) 41.717 7.920 ( -9.980 -8.433 0.000) 13.065 8.002 ( -26.184 11.807 0.000) 28.723 8.639 ( 11.349 -40.191 0.000) 41.763 8.725 ( 14.504 10.291 0.000) 17.784 8.777 ( 13.744 -10.287 0.000) 17.167 9.035 ( -14.069 -10.300 0.000) 17.436 9.323 ( 9.008 5.101 0.000) 10.352 9.891 ( -29.277 10.777 0.000) 31.197 10.071 ( 13.500 15.692 0.000) 20.700 10.363 ( -13.138 13.416 0.000) 18.777 10.689 ( 13.615 12.005 0.000) 18.152 10.816 ( 5.187 1.582 0.000) 5.423 11.175 ( 0.249 -3.846 0.000) 3.854 11.199 ( 0.454 6.688 0.000) 6.703 11.381 ( 16.773 7.062 0.000) 18.199 11.439 ( 0.421 -0.190 0.000) 0.462 11.610 ( -7.647 6.562 0.000) 10.076 11.750 ( -8.857 1.651 0.000) 9.009 12.122 ( -7.349 -7.790 0.000) 10.709 12.179 ( -6.225 -11.223 0.000) 12.834 12.834 ( 6.639 4.442 0.000) 7.988 12.930 ( -1.903 5.270 0.000) 5.603 13.004 ( 20.345 8.902 0.000) 22.208 13.425 ( -17.508 6.934 0.000) 18.831 13.502 ( 3.510 0.036 0.000) 3.510 13.547 ( 0.524 -4.039 0.000) 4.073 13.947 ( 20.667 -6.531 0.000) 21.674 14.208 ( -2.479 -2.307 0.000) 3.387 14.494 ( -0.896 4.365 0.000) 4.456 14.567 ( 0.804 7.180 0.000) 7.224 14.573 ( -6.478 11.645 0.000) 13.326 14.646 ( -4.899 4.762 0.000) 6.832 14.945 ( 2.836 -12.317 0.000) 12.639 14.978 ( -0.461 -12.936 0.000) 12.944 15.020 ( 1.007 -3.403 0.000) 3.549 15.036 ( -0.864 -5.763 0.000) 5.828 15.190 ( 12.461 7.184 0.000) 14.384 15.443 ( -6.841 -4.547 0.000) 8.214 15.580 ( 0.775 -8.543 0.000) 8.578 15.612 ( -4.492 0.874 0.000) 4.576 16.028 ( 0.847 11.419 0.000) 11.451 16.091 ( -6.398 4.181 0.000) 7.643 16.392 ( 7.691 -2.118 0.000) 7.978 16.537 ( -5.680 -0.919 0.000) 5.754 16.955 ( 2.686 7.156 0.000) 7.644 17.055 ( -8.179 1.105 0.000) 8.253 17.413 ( 4.964 -19.417 0.000) 20.042 17.453 ( 1.589 -21.051 0.000) 21.110 17.781 ( 3.021 -8.676 0.000) 9.187 17.895 ( -1.279 -11.704 0.000) 11.773 18.363 ( -0.681 -9.577 0.000) 9.601 18.447 ( -1.507 -15.123 0.000) 15.198 18.845 ( 13.982 -1.359 0.000) 14.048 19.124 ( -11.703 0.016 0.000) 11.703 19.168 ( 1.159 -1.000 0.000) 1.530 19.287 ( -7.974 -1.292 0.000) 8.078 19.620 ( 5.895 4.108 0.000) 7.185 19.724 ( -4.121 0.169 0.000) 4.125 20.154 ( 0.751 7.886 0.000) 7.922 20.160 ( -0.154 -0.885 0.000) 0.898 20.893 ( 12.046 -4.057 0.000) 12.711 21.174 ( -12.415 -8.395 0.000) 14.987 21.483 ( 1.836 -9.285 0.000) 9.465 21.549 ( -3.829 -19.766 0.000) 20.134 22.077 ( 7.289 -4.844 0.000) 8.751 22.119 ( 3.341 -6.676 0.000) 7.466 22.434 ( 2.779 3.625 0.000) 4.568 22.633 ( -15.373 11.831 0.000) 19.399 23.252 ( 22.678 -5.134 0.000) 23.252 23.716 ( -19.498 -4.702 0.000) 20.057 24.940 ( 9.776 36.571 0.000) 37.855 25.145 ( -8.820 36.852 0.000) 37.892 27.150 ( 12.082 -7.628 0.000) 14.288 27.417 ( -12.689 -6.517 0.000) 14.265 28.139 ( 0.314 1.480 0.000) 1.513 28.161 ( -1.789 0.033 0.000) 1.789 28.563 ( 6.186 -6.092 0.000) 8.683 28.681 ( -4.645 -7.501 0.000) 8.823 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 0.000 62.455 0.000) 62.455 3.802 ( 0.000 63.279 0.000) 63.279 6.381 ( 0.000 93.873 0.000) 93.873 6.796 ( 0.000 26.746 0.000) 26.746 7.253 ( 0.000 -28.938 0.000) 28.938 7.376 ( 0.000 7.921 0.000) 7.921 7.389 ( 0.000 -42.707 0.000) 42.707 7.401 ( 0.000 35.925 0.000) 35.925 7.853 ( 0.000 -11.387 0.000) 11.387 8.000 ( 0.000 14.141 0.000) 14.141 8.949 ( 0.000 -33.653 0.000) 33.653 9.687 ( 0.000 -15.056 0.000) 15.056 9.742 ( 0.000 -14.008 0.000) 14.008 10.228 ( 0.000 24.650 0.000) 24.650 10.264 ( 0.000 10.395 0.000) 10.395 10.633 ( 0.000 14.142 0.000) 14.142 10.751 ( 0.000 25.038 0.000) 25.038 10.860 ( 0.000 -33.662 0.000) 33.662 11.104 ( 0.000 6.062 0.000) 6.062 11.170 ( 0.000 11.029 0.000) 11.029 11.172 ( 0.000 14.117 0.000) 14.117 11.246 ( 0.000 18.109 0.000) 18.109 11.967 ( 0.000 13.867 0.000) 13.867 12.097 ( 0.000 -9.398 0.000) 9.398 12.163 ( 0.000 -22.668 0.000) 22.668 12.337 ( 0.000 -11.858 0.000) 11.858 12.469 ( 0.000 13.711 0.000) 13.711 12.868 ( 0.000 14.928 0.000) 14.928 13.160 ( 0.000 -2.323 0.000) 2.323 13.188 ( 0.000 7.453 0.000) 7.453 13.331 ( 0.000 5.481 0.000) 5.481 13.632 ( 0.000 7.280 0.000) 7.280 14.086 ( 0.000 9.971 0.000) 9.971 14.196 ( 0.000 -18.504 0.000) 18.504 14.391 ( 0.000 -20.696 0.000) 20.696 14.435 ( 0.000 1.545 0.000) 1.545 14.658 ( 0.000 5.065 0.000) 5.065 14.687 ( 0.000 -11.696 0.000) 11.696 14.794 ( 0.000 10.856 0.000) 10.856 14.866 ( 0.000 -11.780 0.000) 11.780 14.968 ( 0.000 14.962 0.000) 14.962 15.133 ( 0.000 -11.982 0.000) 11.982 15.160 ( 0.000 9.866 0.000) 9.866 15.262 ( 0.000 12.363 0.000) 12.363 15.385 ( 0.000 -3.881 0.000) 3.881 16.015 ( 0.000 7.852 0.000) 7.852 16.168 ( 0.000 4.223 0.000) 4.223 16.169 ( 0.000 5.402 0.000) 5.402 16.513 ( 0.000 -16.602 0.000) 16.602 16.513 ( 0.000 -2.858 0.000) 2.858 16.672 ( 0.000 -0.415 0.000) 0.415 16.873 ( 0.000 -9.904 0.000) 9.904 17.214 ( 0.000 -5.842 0.000) 5.842 17.252 ( 0.000 -10.330 0.000) 10.330 17.297 ( 0.000 -17.770 0.000) 17.770 17.658 ( 0.000 -10.421 0.000) 10.421 18.254 ( 0.000 -4.642 0.000) 4.642 18.322 ( 0.000 -1.827 0.000) 1.827 19.195 ( 0.000 15.644 0.000) 15.644 19.235 ( 0.000 -0.167 0.000) 0.167 19.275 ( 0.000 1.016 0.000) 1.016 19.426 ( 0.000 -1.643 0.000) 1.643 19.629 ( 0.000 -10.698 0.000) 10.698 19.849 ( 0.000 16.271 0.000) 16.271 19.910 ( 0.000 -1.178 0.000) 1.178 20.140 ( 0.000 6.874 0.000) 6.874 20.972 ( 0.000 -0.908 0.000) 0.908 21.086 ( 0.000 -15.032 0.000) 15.032 21.094 ( 0.000 -21.253 0.000) 21.253 21.327 ( 0.000 -20.915 0.000) 20.915 21.694 ( 0.000 -1.640 0.000) 1.640 21.715 ( 0.000 -2.130 0.000) 2.130 22.475 ( 0.000 -0.725 0.000) 0.725 22.548 ( 0.000 -2.159 0.000) 2.159 23.505 ( 0.000 14.744 0.000) 14.744 24.040 ( 0.000 -2.954 0.000) 2.954 25.350 ( 0.000 28.233 0.000) 28.233 26.043 ( 0.000 32.074 0.000) 32.074 26.594 ( 0.000 -13.513 0.000) 13.513 27.515 ( 0.000 -16.172 0.000) 16.172 28.234 ( 0.000 -1.732 0.000) 1.732 28.238 ( 0.000 3.123 0.000) 3.123 28.270 ( 0.000 -3.130 0.000) 3.130 28.597 ( 0.000 -7.919 0.000) 7.919 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.936 ( 21.253 58.342 0.000) 62.093 4.015 ( 20.056 56.059 0.000) 59.538 6.238 ( -38.782 31.287 0.000) 49.829 6.498 ( -45.563 27.834 0.000) 53.392 6.682 ( 26.075 86.973 0.000) 90.798 7.329 ( 4.444 -29.442 0.000) 29.775 7.404 ( -2.026 -44.741 0.000) 44.787 7.585 ( -5.644 -21.321 0.000) 22.056 8.204 ( 23.584 21.859 0.000) 32.156 8.341 ( 13.290 -1.775 0.000) 13.408 8.781 ( 0.185 -16.638 0.000) 16.639 9.767 ( 0.413 6.899 0.000) 6.912 9.833 ( -13.957 20.053 0.000) 24.431 10.168 ( -6.138 7.050 0.000) 9.348 10.287 ( 5.717 21.178 0.000) 21.936 10.373 ( 11.045 -0.882 0.000) 11.081 10.839 ( -8.206 17.838 0.000) 19.635 10.922 ( 7.124 -31.575 0.000) 32.369 10.923 ( -9.850 10.163 0.000) 14.153 11.152 ( 0.902 5.103 0.000) 5.182 11.260 ( 4.920 3.221 0.000) 5.880 11.371 ( 9.267 12.304 0.000) 15.404 11.902 ( -11.163 -4.497 0.000) 12.034 11.994 ( -12.537 -11.305 0.000) 16.881 12.085 ( -0.665 0.363 0.000) 0.757 12.336 ( -13.911 4.285 0.000) 14.556 12.516 ( 16.967 -5.990 0.000) 17.993 12.952 ( 7.932 14.382 0.000) 16.424 13.072 ( -1.451 7.777 0.000) 7.911 13.316 ( 5.154 -4.885 0.000) 7.101 13.409 ( 3.900 0.415 0.000) 3.922 13.692 ( 6.813 7.378 0.000) 10.042 13.847 ( -12.831 0.787 0.000) 12.855 14.335 ( -6.646 -0.108 0.000) 6.647 14.429 ( 8.905 -10.762 0.000) 13.968 14.453 ( 5.315 -20.915 0.000) 21.580 14.636 ( -0.868 8.594 0.000) 8.638 14.661 ( -1.159 -7.802 0.000) 7.888 14.834 ( 1.598 9.657 0.000) 9.789 14.837 ( -2.806 -5.982 0.000) 6.607 15.007 ( 3.386 11.774 0.000) 12.251 15.116 ( -1.151 -6.094 0.000) 6.202 15.237 ( 5.419 8.982 0.000) 10.490 15.288 ( 1.785 5.352 0.000) 5.642 15.417 ( 2.714 -2.407 0.000) 3.627 15.963 ( -6.742 9.453 0.000) 11.611 16.190 ( 3.786 7.165 0.000) 8.104 16.198 ( 0.507 -1.259 0.000) 1.357 16.286 ( -3.054 -0.432 0.000) 3.084 16.616 ( -3.944 -1.452 0.000) 4.203 16.823 ( 13.353 -10.722 0.000) 17.125 16.933 ( 3.587 -11.504 0.000) 12.050 17.110 ( -9.455 -12.777 0.000) 15.895 17.113 ( -8.309 -7.814 0.000) 11.406 17.401 ( 7.399 -17.657 0.000) 19.145 17.671 ( 0.880 -5.636 0.000) 5.704 18.179 ( -2.054 -8.698 0.000) 8.937 18.473 ( 8.466 -7.346 0.000) 11.208 18.831 ( -22.618 11.149 0.000) 25.217 19.214 ( -0.351 3.220 0.000) 3.239 19.328 ( -12.355 -4.378 0.000) 13.108 19.381 ( 0.974 3.512 0.000) 3.645 19.668 ( 0.761 7.704 0.000) 7.742 19.671 ( 3.065 -8.432 0.000) 8.972 20.138 ( -0.098 6.101 0.000) 6.102 20.221 ( 9.089 4.444 0.000) 10.117 20.723 ( -6.418 -5.727 0.000) 8.601 21.048 ( -3.448 -15.005 0.000) 15.396 21.200 ( 4.014 -12.160 0.000) 12.806 21.568 ( -5.670 2.763 0.000) 6.308 21.600 ( 17.332 -15.572 0.000) 23.300 21.851 ( 6.277 -6.392 0.000) 8.959 22.459 ( 0.986 2.155 0.000) 2.370 22.722 ( 14.248 -4.951 0.000) 15.083 23.302 ( -16.839 14.841 0.000) 22.446 23.935 ( -10.847 -5.466 0.000) 12.147 25.429 ( 7.279 29.709 0.000) 30.588 25.991 ( -4.873 31.988 0.000) 32.357 26.701 ( 9.305 -13.141 0.000) 16.102 27.431 ( -7.640 -15.044 0.000) 16.872 28.196 ( -1.653 -0.312 0.000) 1.682 28.215 ( -1.684 3.519 0.000) 3.901 28.336 ( 4.281 -4.580 0.000) 6.269 28.581 ( -1.637 -8.145 0.000) 8.308 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.550 ( 35.096 49.401 0.000) 60.599 4.629 ( 36.662 41.857 0.000) 55.643 5.373 ( -40.882 39.823 0.000) 57.072 5.519 ( -45.314 31.144 0.000) 54.984 7.167 ( 7.231 1.130 0.000) 7.319 7.268 ( -6.337 -14.387 0.000) 15.721 7.606 ( 32.410 36.483 0.000) 48.799 7.708 ( 15.347 -49.271 0.000) 51.606 8.101 ( -19.988 -43.239 0.000) 47.636 8.328 ( -20.881 41.540 0.000) 46.493 9.273 ( 23.469 19.914 0.000) 30.779 9.368 ( -6.318 39.726 0.000) 40.226 9.687 ( 0.333 22.492 0.000) 22.495 10.092 ( -20.826 7.005 0.000) 21.972 10.428 ( 8.077 16.313 0.000) 18.203 10.630 ( -9.790 10.329 0.000) 14.232 10.712 ( 17.770 -8.809 0.000) 19.833 10.883 ( 10.055 8.244 0.000) 13.002 11.069 ( -8.624 -6.210 0.000) 10.627 11.101 ( 3.929 -18.856 0.000) 19.261 11.479 ( 3.694 0.689 0.000) 3.758 11.479 ( 9.416 1.182 0.000) 9.489 11.652 ( -8.502 -12.160 0.000) 14.838 11.834 ( 1.814 -7.376 0.000) 7.596 11.945 ( -19.943 8.188 0.000) 21.558 11.990 ( -7.265 2.045 0.000) 7.548 12.862 ( 12.397 -3.091 0.000) 12.777 13.031 ( -4.147 2.550 0.000) 4.868 13.203 ( 15.312 10.092 0.000) 18.339 13.398 ( 2.719 -8.243 0.000) 8.680 13.436 ( -0.706 -5.278 0.000) 5.325 13.548 ( -15.704 3.554 0.000) 16.102 13.909 ( 12.171 2.532 0.000) 12.431 14.154 ( -10.135 -0.730 0.000) 10.162 14.531 ( 1.738 -7.789 0.000) 7.981 14.545 ( 1.324 -16.060 0.000) 16.115 14.646 ( 0.912 0.419 0.000) 1.004 14.654 ( 0.078 -3.454 0.000) 3.455 14.822 ( 2.301 2.168 0.000) 3.162 14.854 ( 0.496 9.127 0.000) 9.141 15.065 ( 1.710 9.713 0.000) 9.862 15.089 ( -1.249 2.878 0.000) 3.137 15.297 ( -0.099 -0.322 0.000) 0.336 15.302 ( -0.543 -3.117 0.000) 3.164 15.529 ( 8.709 6.192 0.000) 10.686 15.755 ( -11.435 10.517 0.000) 15.536 16.222 ( 4.489 6.546 0.000) 7.937 16.279 ( 1.818 13.468 0.000) 13.590 16.376 ( 6.991 1.967 0.000) 7.263 16.520 ( -5.664 -0.187 0.000) 5.667 16.862 ( -5.505 -17.145 0.000) 18.007 16.905 ( -7.673 -9.266 0.000) 12.031 17.042 ( 4.586 -17.629 0.000) 18.216 17.058 ( 2.232 -14.373 0.000) 14.545 17.600 ( 10.155 -19.775 0.000) 22.230 17.709 ( 1.427 -5.961 0.000) 6.130 18.140 ( 0.021 -8.442 0.000) 8.442 18.356 ( -19.443 8.241 0.000) 21.117 18.690 ( 12.813 -10.750 0.000) 16.725 19.004 ( -16.008 -8.803 0.000) 18.269 19.263 ( 4.455 7.084 0.000) 8.369 19.355 ( -3.264 5.301 0.000) 6.225 19.723 ( 1.893 2.672 0.000) 3.275 19.725 ( 1.534 -3.505 0.000) 3.826 20.146 ( 1.212 3.847 0.000) 4.033 20.208 ( -4.604 1.033 0.000) 4.719 20.800 ( 7.900 -7.385 0.000) 10.814 20.948 ( -5.878 -13.173 0.000) 14.425 21.319 ( 6.793 -1.325 0.000) 6.921 21.454 ( -5.594 4.151 0.000) 6.966 21.886 ( 8.296 -12.163 0.000) 14.723 21.945 ( 1.838 -9.762 0.000) 9.934 22.563 ( 10.076 8.256 0.000) 13.026 22.893 ( -19.484 13.340 0.000) 23.613 23.119 ( 21.906 -7.839 0.000) 23.267 23.587 ( -20.697 -7.928 0.000) 22.164 25.629 ( 10.561 31.115 0.000) 32.859 25.842 ( -8.908 31.705 0.000) 32.932 26.945 ( 12.818 -12.736 0.000) 18.069 27.215 ( -12.029 -13.275 0.000) 17.914 28.176 ( -0.271 1.506 0.000) 1.530 28.184 ( -1.018 3.013 0.000) 3.180 28.433 ( 4.647 -6.404 0.000) 7.912 28.524 ( -3.662 -7.751 0.000) 8.573 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.957 ( 0.000 61.238 0.000) 61.238 5.073 ( 0.000 62.007 0.000) 62.007 6.169 ( 0.000 -58.027 0.000) 58.027 6.297 ( 0.000 -58.279 0.000) 58.279 7.405 ( 0.000 32.742 0.000) 32.742 7.509 ( 0.000 5.775 0.000) 5.775 7.631 ( 0.000 -6.651 0.000) 6.651 8.063 ( 0.000 -26.210 0.000) 26.210 8.170 ( 0.000 77.789 0.000) 77.789 8.501 ( 0.000 47.251 0.000) 47.251 8.665 ( 0.000 22.384 0.000) 22.384 9.160 ( 0.000 -30.495 0.000) 30.495 9.293 ( 0.000 -30.472 0.000) 30.472 9.698 ( 0.000 -60.788 0.000) 60.788 10.660 ( 0.000 15.687 0.000) 15.687 10.746 ( 0.000 8.434 0.000) 8.434 10.894 ( 0.000 11.212 0.000) 11.212 11.042 ( 0.000 -0.304 0.000) 0.304 11.206 ( 0.000 5.536 0.000) 5.536 11.276 ( 0.000 0.016 0.000) 0.016 11.552 ( 0.000 10.442 0.000) 10.442 11.609 ( 0.000 26.675 0.000) 26.675 11.764 ( 0.000 -14.659 0.000) 14.659 12.015 ( 0.000 2.048 0.000) 2.048 12.042 ( 0.000 -13.118 0.000) 13.118 12.116 ( 0.000 -5.289 0.000) 5.289 12.725 ( 0.000 13.403 0.000) 13.403 13.002 ( 0.000 -12.178 0.000) 12.178 13.174 ( 0.000 14.170 0.000) 14.170 13.368 ( 0.000 -3.377 0.000) 3.377 13.435 ( 0.000 16.200 0.000) 16.200 13.775 ( 0.000 7.492 0.000) 7.492 13.806 ( 0.000 -19.566 0.000) 19.566 14.000 ( 0.000 -16.081 0.000) 16.081 14.259 ( 0.000 6.919 0.000) 6.919 14.375 ( 0.000 -4.967 0.000) 4.967 14.520 ( 0.000 -1.783 0.000) 1.783 14.625 ( 0.000 -10.420 0.000) 10.420 14.735 ( 0.000 4.650 0.000) 4.650 14.884 ( 0.000 -9.745 0.000) 9.745 15.180 ( 0.000 5.992 0.000) 5.992 15.194 ( 0.000 19.843 0.000) 19.843 15.249 ( 0.000 -1.618 0.000) 1.618 15.426 ( 0.000 -0.273 0.000) 0.273 15.545 ( 0.000 19.465 0.000) 19.465 16.028 ( 0.000 -25.939 0.000) 25.939 16.146 ( 0.000 4.870 0.000) 4.870 16.210 ( 0.000 -1.076 0.000) 1.076 16.315 ( 0.000 7.303 0.000) 7.303 16.442 ( 0.000 -4.561 0.000) 4.561 16.668 ( 0.000 0.656 0.000) 0.656 16.728 ( 0.000 -5.172 0.000) 5.172 17.022 ( 0.000 -6.248 0.000) 6.248 17.059 ( 0.000 -7.604 0.000) 7.604 17.241 ( 0.000 6.839 0.000) 6.839 17.437 ( 0.000 -11.247 0.000) 11.247 18.207 ( 0.000 -0.187 0.000) 0.187 18.246 ( 0.000 -3.881 0.000) 3.881 19.295 ( 0.000 5.435 0.000) 5.435 19.309 ( 0.000 2.327 0.000) 2.327 19.365 ( 0.000 -2.756 0.000) 2.756 19.434 ( 0.000 -8.269 0.000) 8.269 19.502 ( 0.000 13.703 0.000) 13.703 19.766 ( 0.000 -11.524 0.000) 11.524 20.241 ( 0.000 21.762 0.000) 21.762 20.382 ( 0.000 15.920 0.000) 15.920 20.693 ( 0.000 -21.516 0.000) 21.516 20.740 ( 0.000 -18.368 0.000) 18.368 20.963 ( 0.000 0.274 0.000) 0.274 21.019 ( 0.000 -7.320 0.000) 7.320 21.680 ( 0.000 -0.012 0.000) 0.012 21.687 ( 0.000 -0.769 0.000) 0.769 22.476 ( 0.000 0.817 0.000) 0.817 22.505 ( 0.000 -1.927 0.000) 1.927 23.765 ( 0.000 10.811 0.000) 10.811 23.942 ( 0.000 -6.748 0.000) 6.748 25.869 ( 0.000 22.877 0.000) 22.877 26.279 ( 0.000 -17.730 0.000) 17.730 26.643 ( 0.000 26.997 0.000) 26.997 27.134 ( 0.000 -21.538 0.000) 21.538 28.211 ( 0.000 -0.376 0.000) 0.376 28.222 ( 0.000 -1.496 0.000) 1.496 28.320 ( 0.000 5.074 0.000) 5.074 28.443 ( 0.000 -7.006 0.000) 7.006 ======================= Grid point 21 (14/90) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.127 ( 15.646 58.809 0.000) 60.854 5.166 ( 9.456 57.010 0.000) 57.789 6.296 ( 0.805 -52.816 0.000) 52.822 6.297 ( 11.768 -55.951 0.000) 57.175 6.948 ( -38.164 17.664 0.000) 42.053 6.975 ( -31.284 35.643 0.000) 47.425 7.290 ( -25.692 -16.018 0.000) 30.276 7.752 ( -24.915 -38.901 0.000) 46.196 8.415 ( 21.518 76.850 0.000) 79.806 8.940 ( 26.708 40.097 0.000) 48.178 9.039 ( 29.475 25.286 0.000) 38.835 9.477 ( 21.864 -26.397 0.000) 34.276 9.627 ( 23.230 -25.828 0.000) 34.738 9.910 ( 18.371 -56.670 0.000) 59.574 10.634 ( -1.436 13.427 0.000) 13.503 10.696 ( -17.934 28.319 0.000) 33.520 10.700 ( -3.199 9.065 0.000) 9.612 11.066 ( -5.663 3.434 0.000) 6.622 11.120 ( -0.116 -0.734 0.000) 0.743 11.183 ( -9.209 -7.571 0.000) 11.921 11.322 ( -16.493 16.510 0.000) 23.337 11.566 ( -0.639 4.850 0.000) 4.892 11.654 ( -20.066 -14.138 0.000) 24.546 11.697 ( -5.221 -11.099 0.000) 12.266 12.208 ( 4.566 6.857 0.000) 8.238 12.370 ( 14.974 -8.481 0.000) 17.209 12.601 ( -10.316 18.023 0.000) 20.766 12.969 ( -3.504 -15.747 0.000) 16.132 13.228 ( 4.875 11.724 0.000) 12.697 13.389 ( 0.867 -3.703 0.000) 3.803 13.424 ( -1.069 13.666 0.000) 13.708 13.715 ( -7.207 -12.873 0.000) 14.753 13.836 ( 6.163 8.077 0.000) 10.160 14.070 ( 6.542 -15.624 0.000) 16.939 14.308 ( -1.124 -1.375 0.000) 1.776 14.311 ( -0.441 -1.331 0.000) 1.403 14.556 ( 2.958 0.200 0.000) 2.965 14.667 ( 3.388 -8.657 0.000) 9.296 14.752 ( -0.398 5.317 0.000) 5.332 14.902 ( 0.814 -8.994 0.000) 9.030 15.197 ( 0.334 17.283 0.000) 17.286 15.208 ( 2.241 5.730 0.000) 6.153 15.279 ( 1.532 -2.229 0.000) 2.704 15.398 ( -2.364 -0.566 0.000) 2.431 15.600 ( 5.605 18.094 0.000) 18.942 16.000 ( 0.990 -18.146 0.000) 18.173 16.158 ( -1.181 9.483 0.000) 9.556 16.276 ( 7.496 0.013 0.000) 7.496 16.373 ( 5.027 7.985 0.000) 9.435 16.566 ( 8.549 -11.042 0.000) 13.964 16.595 ( -3.684 0.554 0.000) 3.726 16.706 ( -5.133 -10.863 0.000) 12.015 16.945 ( -4.748 -0.566 0.000) 4.782 17.079 ( 1.399 -12.679 0.000) 12.756 17.160 ( -7.528 10.781 0.000) 13.150 17.457 ( -0.081 -15.438 0.000) 15.439 18.139 ( -2.045 4.605 0.000) 5.039 18.293 ( 3.481 -9.220 0.000) 9.855 19.034 ( -20.273 8.893 0.000) 22.138 19.197 ( -15.864 -7.336 0.000) 17.479 19.328 ( 3.097 7.067 0.000) 7.716 19.488 ( 4.096 -8.768 0.000) 9.678 19.517 ( -1.047 8.528 0.000) 8.593 19.687 ( -2.218 -6.208 0.000) 6.593 20.341 ( 2.675 9.961 0.000) 10.313 20.373 ( -0.775 15.591 0.000) 15.610 20.568 ( -2.597 -10.208 0.000) 10.533 20.718 ( -2.036 -17.379 0.000) 17.498 21.137 ( 13.016 4.077 0.000) 13.639 21.308 ( 18.892 -12.153 0.000) 22.463 21.640 ( -2.055 4.075 0.000) 4.564 21.733 ( 2.046 -5.179 0.000) 5.569 22.524 ( 5.690 4.135 0.000) 7.033 22.619 ( 10.317 -5.071 0.000) 11.496 23.577 ( -16.119 12.158 0.000) 20.190 23.790 ( -13.892 -8.837 0.000) 16.464 25.969 ( 8.697 23.592 0.000) 25.144 26.388 ( 9.410 -17.907 0.000) 20.229 26.585 ( -5.326 26.610 0.000) 27.138 27.066 ( -6.220 -20.902 0.000) 21.807 28.207 ( 0.279 1.425 0.000) 1.452 28.255 ( 2.339 -3.297 0.000) 4.042 28.302 ( -1.564 5.156 0.000) 5.388 28.425 ( -1.630 -7.019 0.000) 7.206 ======================= Grid point 22 (15/90) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.508 ( 23.167 44.590 0.000) 50.249 5.592 ( 27.226 52.817 0.000) 59.421 6.136 ( -34.957 30.439 0.000) 46.352 6.224 ( -27.422 36.907 0.000) 45.979 6.442 ( 3.985 -36.200 0.000) 36.419 6.660 ( 19.702 -50.913 0.000) 54.592 6.762 ( -20.234 -31.796 0.000) 37.688 7.183 ( -26.784 -46.403 0.000) 53.578 8.978 ( 27.822 67.486 0.000) 72.996 9.315 ( 3.015 45.959 0.000) 46.057 9.696 ( 29.119 22.247 0.000) 36.645 9.864 ( 11.420 -12.259 0.000) 16.754 9.955 ( 3.150 -10.361 0.000) 10.829 10.216 ( -22.611 30.244 0.000) 37.762 10.367 ( 21.543 -42.750 0.000) 47.871 10.662 ( 5.624 5.220 0.000) 7.673 10.711 ( 7.936 2.232 0.000) 8.244 10.768 ( -18.813 -0.474 0.000) 18.819 10.924 ( -15.478 -8.916 0.000) 17.862 11.012 ( -13.098 -6.963 0.000) 14.833 11.222 ( 2.695 -5.557 0.000) 6.176 11.403 ( 5.487 -9.250 0.000) 10.755 11.422 ( -11.335 1.078 0.000) 11.387 11.593 ( -6.898 -11.892 0.000) 13.747 12.265 ( 2.256 18.847 0.000) 18.981 12.372 ( -8.909 25.173 0.000) 26.703 12.648 ( 11.137 -17.041 0.000) 20.357 12.848 ( -7.708 -19.756 0.000) 21.207 13.365 ( 7.607 4.591 0.000) 8.885 13.391 ( -0.127 0.472 0.000) 0.489 13.398 ( -1.009 7.447 0.000) 7.515 13.542 ( -8.619 -4.578 0.000) 9.759 14.019 ( 9.763 8.089 0.000) 12.678 14.197 ( -6.464 4.737 0.000) 8.014 14.235 ( 7.440 -13.253 0.000) 15.198 14.335 ( -1.513 -8.769 0.000) 8.899 14.626 ( 3.386 2.929 0.000) 4.477 14.700 ( -3.572 5.730 0.000) 6.752 14.759 ( 5.290 -7.565 0.000) 9.231 14.870 ( -4.119 -9.216 0.000) 10.095 15.213 ( 1.367 10.994 0.000) 11.079 15.247 ( -0.238 4.974 0.000) 4.980 15.282 ( 0.755 0.106 0.000) 0.762 15.337 ( -3.168 -0.061 0.000) 3.169 15.788 ( 11.485 17.851 0.000) 21.227 16.035 ( -10.162 17.725 0.000) 20.431 16.153 ( 12.753 -14.376 0.000) 19.217 16.446 ( -7.896 -20.812 0.000) 22.260 16.495 ( 5.486 7.753 0.000) 9.498 16.543 ( 5.991 7.713 0.000) 9.766 16.569 ( -0.011 4.508 0.000) 4.508 16.703 ( 1.960 -12.137 0.000) 12.294 16.874 ( -1.950 -0.128 0.000) 1.954 16.938 ( -10.895 13.455 0.000) 17.312 17.157 ( 7.068 -21.750 0.000) 22.870 17.357 ( -9.274 -23.313 0.000) 25.090 18.223 ( 11.006 10.851 0.000) 15.455 18.460 ( 12.778 -11.772 0.000) 17.374 18.577 ( -20.798 11.782 0.000) 23.904 18.806 ( -18.742 -10.661 0.000) 21.562 19.409 ( 3.969 7.494 0.000) 8.480 19.479 ( -2.502 7.210 0.000) 7.632 19.576 ( 3.842 -8.935 0.000) 9.726 19.645 ( -2.579 -8.318 0.000) 8.708 20.343 ( -0.187 11.557 0.000) 11.558 20.353 ( -0.940 14.401 0.000) 14.432 20.595 ( 2.945 -12.039 0.000) 12.394 20.661 ( -3.093 -15.064 0.000) 15.378 21.418 ( 11.078 8.767 0.000) 14.128 21.578 ( -4.451 7.449 0.000) 8.677 21.633 ( 10.321 -12.045 0.000) 15.862 21.748 ( -1.402 -9.294 0.000) 9.399 22.748 ( 15.745 9.654 0.000) 18.469 22.943 ( 19.643 -9.340 0.000) 21.751 23.160 ( -21.365 12.689 0.000) 24.849 23.398 ( -21.576 -10.678 0.000) 24.074 26.194 ( 11.479 24.672 0.000) 27.212 26.424 ( -9.606 25.700 0.000) 27.436 26.630 ( 12.406 -18.472 0.000) 22.251 26.882 ( -10.751 -19.565 0.000) 22.324 28.225 ( 1.397 3.402 0.000) 3.678 28.262 ( -1.967 4.749 0.000) 5.140 28.313 ( 3.035 -5.256 0.000) 6.070 28.377 ( -2.801 -6.570 0.000) 7.142 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 0.000 60.811) 60.811 1.291 ( 0.000 0.000 62.659) 62.659 2.392 ( 0.000 0.000 115.700) 115.700 4.881 ( 0.000 0.000 13.103) 13.103 6.160 ( 0.000 0.000 16.573) 16.573 6.896 ( 0.000 0.000 6.590) 6.590 6.990 ( 0.000 0.000 -7.309) 7.309 8.165 ( 0.000 0.000 -6.474) 6.474 8.327 ( 0.000 0.000 -7.888) 7.888 8.754 ( 0.000 0.000 10.419) 10.419 9.362 ( 0.000 0.000 -12.973) 12.973 9.412 ( 0.000 0.000 -9.807) 9.807 10.136 ( 0.000 0.000 -6.013) 6.013 10.188 ( 0.000 0.000 -17.922) 17.922 10.310 ( 0.000 0.000 14.253) 14.253 10.401 ( 0.000 0.000 -22.488) 22.488 10.429 ( 0.000 0.000 -0.093) 0.093 10.607 ( 0.000 0.000 5.297) 5.297 10.627 ( 0.000 0.000 -4.700) 4.700 10.809 ( 0.000 0.000 15.998) 15.998 11.024 ( 0.000 0.000 1.331) 1.331 11.110 ( 0.000 0.000 1.156) 1.156 11.135 ( 0.000 0.000 0.642) 0.642 11.744 ( 0.000 0.000 12.247) 12.247 12.128 ( 0.000 0.000 -12.869) 12.869 12.520 ( 0.000 0.000 -1.484) 1.484 12.635 ( 0.000 0.000 -11.505) 11.505 12.896 ( 0.000 0.000 8.492) 8.492 13.005 ( 0.000 0.000 -8.608) 8.608 13.083 ( 0.000 0.000 -5.987) 5.987 13.236 ( 0.000 0.000 11.136) 11.136 13.366 ( 0.000 0.000 4.660) 4.660 13.456 ( 0.000 0.000 -2.012) 2.012 14.027 ( 0.000 0.000 3.077) 3.077 14.035 ( 0.000 0.000 7.227) 7.227 14.560 ( 0.000 0.000 -4.761) 4.761 14.576 ( 0.000 0.000 -11.869) 11.869 14.647 ( 0.000 0.000 3.243) 3.243 14.663 ( 0.000 0.000 -2.922) 2.922 14.941 ( 0.000 0.000 -11.184) 11.184 15.128 ( 0.000 0.000 -7.204) 7.204 15.333 ( 0.000 0.000 -9.131) 9.131 15.470 ( 0.000 0.000 -11.559) 11.559 15.484 ( 0.000 0.000 13.085) 13.085 15.702 ( 0.000 0.000 4.451) 4.451 15.839 ( 0.000 0.000 8.129) 8.129 15.937 ( 0.000 0.000 -13.266) 13.266 16.093 ( 0.000 0.000 -1.559) 1.559 16.528 ( 0.000 0.000 -4.977) 4.977 16.560 ( 0.000 0.000 10.856) 10.856 16.818 ( 0.000 0.000 20.055) 20.055 17.431 ( 0.000 0.000 -16.878) 16.878 17.709 ( 0.000 0.000 4.125) 4.125 17.813 ( 0.000 0.000 1.637) 1.637 18.013 ( 0.000 0.000 0.991) 0.991 18.086 ( 0.000 0.000 -10.329) 10.329 18.353 ( 0.000 0.000 7.588) 7.588 18.364 ( 0.000 0.000 4.524) 4.524 18.926 ( 0.000 0.000 2.550) 2.550 19.194 ( 0.000 0.000 -4.123) 4.123 19.218 ( 0.000 0.000 -5.418) 5.418 19.327 ( 0.000 0.000 -0.184) 0.184 19.506 ( 0.000 0.000 3.595) 3.595 19.977 ( 0.000 0.000 5.166) 5.166 20.233 ( 0.000 0.000 -28.711) 28.711 20.298 ( 0.000 0.000 -19.830) 19.830 21.261 ( 0.000 0.000 -1.634) 1.634 21.401 ( 0.000 0.000 9.223) 9.223 21.764 ( 0.000 0.000 13.015) 13.015 21.780 ( 0.000 0.000 -13.862) 13.862 22.099 ( 0.000 0.000 5.802) 5.802 22.332 ( 0.000 0.000 5.900) 5.900 22.514 ( 0.000 0.000 1.073) 1.073 22.604 ( 0.000 0.000 -1.530) 1.530 22.899 ( 0.000 0.000 -4.371) 4.371 23.320 ( 0.000 0.000 -12.845) 12.845 23.858 ( 0.000 0.000 -1.132) 1.132 24.122 ( 0.000 0.000 -15.969) 15.969 24.169 ( 0.000 0.000 -0.220) 0.220 26.771 ( 0.000 0.000 -24.618) 24.618 28.390 ( 0.000 0.000 23.989) 23.989 28.411 ( 0.000 0.000 10.919) 10.919 29.265 ( 0.000 0.000 29.097) 29.097 32.249 ( 0.000 0.000 -1.817) 1.817 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 43.647 0.000 41.873) 60.485 2.054 ( 51.210 0.000 45.644) 68.599 3.171 ( 68.165 0.000 81.083) 105.929 4.599 ( -25.915 0.000 14.725) 29.806 5.412 ( -48.952 0.000 17.293) 51.917 6.914 ( 4.028 0.000 4.796) 6.263 7.645 ( 36.086 0.000 -8.482) 37.070 7.964 ( -19.864 0.000 -4.323) 20.329 8.478 ( 18.597 0.000 -3.164) 18.864 8.607 ( -62.277 0.000 17.041) 64.567 8.955 ( 11.622 0.000 3.055) 12.017 9.404 ( 4.241 0.000 -12.199) 12.915 9.971 ( -4.435 0.000 -11.457) 12.285 10.033 ( -12.619 0.000 -9.450) 15.766 10.160 ( -1.839 0.000 -16.946) 17.045 10.234 ( -9.252 0.000 -10.106) 13.702 10.512 ( -4.412 0.000 -3.010) 5.340 10.583 ( -9.233 0.000 13.868) 16.660 10.789 ( 2.413 0.000 -6.293) 6.740 10.843 ( 9.442 0.000 6.214) 11.303 10.959 ( 4.117 0.000 -0.090) 4.118 11.181 ( 7.045 0.000 -1.158) 7.139 11.439 ( 11.163 0.000 5.757) 12.560 11.827 ( 5.048 0.000 10.133) 11.321 12.252 ( 8.908 0.000 -10.987) 14.145 12.340 ( -17.190 0.000 -12.610) 21.319 12.682 ( -2.423 0.000 1.603) 2.905 12.914 ( 15.190 0.000 -11.681) 19.162 12.932 ( -12.842 0.000 12.942) 18.232 13.293 ( 1.567 0.000 -7.013) 7.186 13.303 ( 9.972 0.000 -5.396) 11.338 13.522 ( 7.913 0.000 4.992) 9.356 13.617 ( 21.542 0.000 3.747) 21.865 14.042 ( 2.631 0.000 5.647) 6.230 14.057 ( 2.583 0.000 -0.222) 2.593 14.423 ( -8.479 0.000 1.333) 8.583 14.590 ( 2.896 0.000 -2.311) 3.705 14.595 ( -8.738 0.000 -19.201) 21.096 14.865 ( 5.685 0.000 1.153) 5.800 14.981 ( 2.817 0.000 -12.080) 12.404 15.176 ( 2.347 0.000 -5.801) 6.258 15.296 ( 1.464 0.000 -4.195) 4.443 15.381 ( -7.632 0.000 -11.469) 13.776 15.487 ( 1.814 0.000 6.620) 6.864 15.621 ( -6.535 0.000 2.087) 6.860 15.934 ( -1.977 0.000 -11.665) 11.832 16.079 ( 13.922 0.000 -3.378) 14.326 16.083 ( 0.830 0.000 -0.949) 1.261 16.474 ( -4.929 0.000 -3.977) 6.334 16.564 ( 0.162 0.000 14.125) 14.126 16.734 ( -6.829 0.000 18.490) 19.711 17.020 ( -25.540 0.000 7.314) 26.567 17.784 ( 13.332 0.000 -7.638) 15.365 17.856 ( 3.778 0.000 2.066) 4.306 18.040 ( 1.817 0.000 1.469) 2.337 18.360 ( 0.235 0.000 3.642) 3.649 18.435 ( 15.832 0.000 -4.786) 16.540 18.597 ( 16.346 0.000 -7.457) 17.966 18.794 ( -9.658 0.000 1.509) 9.775 19.049 ( -11.698 0.000 -12.299) 16.974 19.326 ( 7.543 0.000 -2.124) 7.836 19.444 ( -4.309 0.000 6.144) 7.504 19.465 ( 9.992 0.000 1.100) 10.053 19.833 ( -18.767 0.000 -11.928) 22.236 19.946 ( -2.939 0.000 4.850) 5.671 20.192 ( -10.872 0.000 -17.001) 20.180 21.310 ( 4.584 0.000 -1.439) 4.805 21.375 ( 5.988 0.000 7.510) 9.605 21.799 ( 2.645 0.000 8.399) 8.806 21.946 ( 2.773 0.000 -8.736) 9.166 21.963 ( -11.180 0.000 3.491) 11.712 22.278 ( -3.050 0.000 -2.149) 3.732 22.498 ( -0.939 0.000 1.439) 1.718 22.682 ( -2.238 0.000 2.633) 3.456 22.910 ( 12.540 0.000 -3.817) 13.108 23.450 ( 10.711 0.000 -10.024) 14.670 23.969 ( -10.993 0.000 -17.531) 20.693 24.112 ( -5.288 0.000 -0.875) 5.360 25.171 ( 68.728 0.000 -70.257) 98.283 26.750 ( -2.612 0.000 -30.217) 30.330 28.400 ( 1.052 0.000 20.842) 20.868 28.433 ( 1.490 0.000 14.758) 14.833 29.290 ( 2.973 0.000 32.901) 33.035 30.967 ( -70.830 0.000 69.126) 98.971 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 49.993 0.000 26.246) 56.463 3.171 ( 53.628 0.000 36.471) 64.854 3.844 ( -43.296 0.000 18.758) 47.185 4.307 ( -52.041 0.000 26.346) 58.329 4.920 ( 87.753 0.000 42.455) 97.483 6.793 ( -85.009 0.000 24.018) 88.336 7.119 ( 15.011 0.000 2.341) 15.192 7.513 ( -21.049 0.000 -0.186) 21.050 8.678 ( 40.267 0.000 -6.924) 40.858 8.886 ( 16.237 0.000 -5.947) 17.292 9.083 ( -1.520 0.000 -3.752) 4.048 9.481 ( -33.157 0.000 -13.849) 35.933 9.585 ( 13.981 0.000 -7.938) 16.077 9.949 ( -17.355 0.000 -6.837) 18.653 10.089 ( 8.367 0.000 -3.216) 8.964 10.178 ( 3.990 0.000 -8.800) 9.662 10.322 ( -12.912 0.000 4.803) 13.777 10.325 ( -9.191 0.000 -1.114) 9.259 10.925 ( 11.188 0.000 -2.424) 11.447 11.154 ( -5.089 0.000 -7.684) 9.216 11.198 ( 21.073 0.000 -5.763) 21.847 11.198 ( 10.103 0.000 0.259) 10.107 11.427 ( -8.594 0.000 3.360) 9.227 11.662 ( -20.293 0.000 -7.300) 21.566 12.286 ( 11.808 0.000 6.660) 13.557 12.527 ( 14.829 0.000 -10.126) 17.957 12.608 ( -16.411 0.000 11.880) 20.260 12.735 ( -0.379 0.000 -6.441) 6.452 13.004 ( 2.570 0.000 2.221) 3.397 13.187 ( -10.232 0.000 -2.719) 10.587 13.487 ( 7.020 0.000 1.800) 7.247 13.592 ( -1.888 0.000 3.303) 3.804 14.057 ( 12.103 0.000 -3.750) 12.670 14.148 ( 6.190 0.000 -4.457) 7.627 14.283 ( -5.901 0.000 -2.383) 6.364 14.322 ( -12.589 0.000 -9.447) 15.740 14.416 ( 32.073 0.000 -0.081) 32.073 14.699 ( 7.156 0.000 2.822) 7.692 14.852 ( -5.762 0.000 5.290) 7.822 14.999 ( -11.653 0.000 -4.016) 12.326 15.065 ( -2.296 0.000 -12.238) 12.451 15.220 ( -8.215 0.000 -1.491) 8.349 15.385 ( 5.185 0.000 -2.121) 5.602 15.490 ( -5.001 0.000 -1.864) 5.337 15.609 ( 9.030 0.000 -4.250) 9.980 15.810 ( -8.720 0.000 -8.159) 11.942 16.173 ( 6.805 0.000 -1.393) 6.946 16.291 ( 7.658 0.000 -3.416) 8.385 16.335 ( -7.702 0.000 -2.163) 8.000 16.505 ( -12.809 0.000 8.138) 15.176 16.583 ( -0.201 0.000 9.819) 9.821 16.645 ( -6.653 0.000 18.979) 20.111 17.956 ( 5.054 0.000 2.890) 5.822 18.042 ( -2.338 0.000 2.894) 3.720 18.175 ( 21.711 0.000 -11.783) 24.702 18.415 ( 5.617 0.000 1.449) 5.801 18.583 ( -9.514 0.000 0.835) 9.551 18.619 ( -15.352 0.000 -11.787) 19.355 18.764 ( 8.689 0.000 1.176) 8.768 18.871 ( 0.546 0.000 -5.422) 5.449 19.380 ( 1.612 0.000 2.660) 3.110 19.481 ( -2.588 0.000 3.273) 4.173 19.627 ( 5.661 0.000 -15.989) 16.962 19.679 ( 9.456 0.000 2.603) 9.808 19.849 ( -6.324 0.000 3.934) 7.448 19.903 ( -15.094 0.000 -15.199) 21.421 21.458 ( 9.312 0.000 -0.782) 9.345 21.555 ( 9.259 0.000 0.155) 9.260 21.696 ( -12.733 0.000 0.689) 12.751 21.738 ( -7.289 0.000 -2.518) 7.712 22.058 ( 7.480 0.000 4.383) 8.669 22.201 ( -5.141 0.000 0.767) 5.198 22.511 ( 2.787 0.000 -0.259) 2.799 22.599 ( -4.595 0.000 0.808) 4.666 23.260 ( 18.449 0.000 -8.085) 20.143 23.653 ( -17.703 0.000 -12.861) 21.881 23.708 ( 12.505 0.000 -5.887) 13.821 23.950 ( -9.829 0.000 -2.790) 10.217 26.194 ( 30.679 0.000 -64.686) 71.593 26.616 ( -11.413 0.000 -44.866) 46.295 28.432 ( 1.649 0.000 19.098) 19.169 28.453 ( 0.000 0.000 17.350) 17.350 29.439 ( 12.641 0.000 44.870) 46.616 29.898 ( -32.783 0.000 63.560) 71.516 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 43.232 44.971) 62.381 2.062 ( 0.000 49.489 50.169) 70.471 3.057 ( 0.000 67.823 80.181) 105.019 5.262 ( 0.000 35.222 10.245) 36.681 6.249 ( 0.000 9.261 16.562) 18.975 6.951 ( 0.000 6.084 -2.049) 6.419 7.147 ( 0.000 13.511 1.121) 13.558 8.137 ( 0.000 -4.672 -1.967) 5.069 8.450 ( 0.000 8.418 -7.733) 11.431 8.889 ( 0.000 11.365 2.802) 11.705 9.121 ( 0.000 -21.749 -8.242) 23.258 9.445 ( 0.000 2.983 -11.714) 12.088 10.002 ( 0.000 -18.212 -15.305) 23.789 10.069 ( 0.000 -14.678 9.843) 17.672 10.092 ( 0.000 2.545 -11.049) 11.338 10.429 ( 0.000 10.302 -3.054) 10.745 10.489 ( 0.000 1.921 8.595) 8.807 10.665 ( 0.000 -2.699 2.538) 3.705 10.697 ( 0.000 4.456 -11.145) 12.003 10.877 ( 0.000 -4.255 -1.218) 4.426 10.986 ( 0.000 1.677 9.173) 9.325 11.036 ( 0.000 11.039 -6.719) 12.923 11.613 ( 0.000 28.642 0.712) 28.651 11.720 ( 0.000 -2.686 6.417) 6.957 12.264 ( 0.000 9.913 -4.971) 11.090 12.544 ( 0.000 1.571 -4.982) 5.224 12.655 ( 0.000 -6.536 -4.493) 7.931 12.825 ( 0.000 -4.371 4.871) 6.545 12.940 ( 0.000 -1.003 -4.258) 4.375 13.035 ( 0.000 1.489 -2.355) 2.786 13.202 ( 0.000 -2.237 3.643) 4.275 13.381 ( 0.000 1.938 3.100) 3.656 13.595 ( 0.000 11.380 -4.182) 12.124 14.062 ( 0.000 6.498 0.548) 6.521 14.340 ( 0.000 18.940 7.982) 20.553 14.493 ( 0.000 -7.683 -3.030) 8.259 14.548 ( 0.000 -5.167 -10.846) 12.014 14.637 ( 0.000 3.787 -7.742) 8.619 14.791 ( 0.000 3.491 -6.689) 7.545 14.886 ( 0.000 -6.607 -8.471) 10.743 15.118 ( 0.000 3.452 -2.993) 4.568 15.240 ( 0.000 -8.775 -9.104) 12.645 15.435 ( 0.000 -3.436 10.785) 11.319 15.524 ( 0.000 -14.876 15.309) 21.346 15.590 ( 0.000 9.278 -7.830) 12.141 15.730 ( 0.000 2.406 3.089) 3.916 16.005 ( 0.000 -6.822 2.243) 7.181 16.218 ( 0.000 10.072 -4.160) 10.897 16.486 ( 0.000 -2.402 -5.727) 6.210 16.562 ( 0.000 -0.940 5.444) 5.525 16.851 ( 0.000 2.338 19.360) 19.501 17.437 ( 0.000 -10.357 -14.128) 17.517 17.562 ( 0.000 -12.265 -1.699) 12.382 17.624 ( 0.000 -6.782 1.836) 7.026 17.959 ( 0.000 -9.514 1.724) 9.669 18.043 ( 0.000 0.816 2.339) 2.478 18.285 ( 0.000 -5.941 3.173) 6.735 18.430 ( 0.000 6.084 -1.953) 6.390 18.766 ( 0.000 -12.199 4.735) 13.086 19.216 ( 0.000 2.194 -6.660) 7.012 19.237 ( 0.000 2.248 -2.793) 3.585 19.346 ( 0.000 0.212 2.350) 2.359 19.597 ( 0.000 8.366 0.204) 8.368 19.627 ( 0.000 -8.195 2.933) 8.704 20.013 ( 0.000 -6.431 2.760) 6.998 20.180 ( 0.000 -9.976 -17.995) 20.575 20.896 ( 0.000 -3.266 -4.742) 5.758 21.602 ( 0.000 -10.116 4.167) 10.941 21.704 ( 0.000 -6.067 -11.214) 12.750 22.006 ( 0.000 0.490 10.115) 10.127 22.121 ( 0.000 -16.331 2.965) 16.598 22.418 ( 0.000 -22.607 0.528) 22.613 22.542 ( 0.000 -11.351 -2.216) 11.565 22.594 ( 0.000 2.924 -3.791) 4.787 22.618 ( 0.000 23.509 -11.809) 26.308 23.637 ( 0.000 20.705 -13.405) 24.665 24.179 ( 0.000 9.472 -15.187) 17.899 24.603 ( 0.000 32.544 -2.538) 32.642 25.108 ( 0.000 78.503 -74.959) 108.543 26.735 ( 0.000 -3.360 -24.264) 24.495 28.378 ( 0.000 -1.019 23.535) 23.557 28.407 ( 0.000 -0.358 11.573) 11.579 29.211 ( 0.000 -5.151 28.402) 28.866 31.057 ( 0.000 -73.843 65.188) 98.501 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 40.096 35.262 34.314) 63.471 2.460 ( 34.250 37.782 44.240) 67.511 3.726 ( 57.940 55.070 62.769) 101.635 4.968 ( -26.629 33.491 12.315) 44.524 5.514 ( -47.845 10.658 16.150) 51.609 7.011 ( 1.357 8.985 6.447) 11.141 7.728 ( 36.949 8.051 -8.561) 38.773 8.119 ( -16.788 11.771 -5.443) 21.214 8.431 ( 16.357 -5.266 1.036) 17.215 8.775 ( -55.849 16.484 13.687) 59.818 9.031 ( 5.934 -5.037 -6.058) 9.863 9.199 ( 6.354 -8.721 -3.903) 11.475 9.833 ( -11.403 -16.508 -2.659) 20.239 9.898 ( -5.672 -20.034 -13.780) 24.969 10.040 ( -6.901 2.918 -8.926) 11.654 10.196 ( -0.231 5.333 -2.841) 6.047 10.482 ( -13.268 5.228 -10.400) 17.651 10.707 ( 3.778 -3.709 0.587) 5.327 10.767 ( 3.490 2.135 -6.022) 7.280 10.970 ( 9.501 11.343 3.503) 15.205 11.077 ( 6.604 2.252 0.934) 7.039 11.308 ( 3.788 10.511 -2.686) 11.491 11.490 ( 1.338 9.600 4.644) 10.747 11.900 ( 8.307 3.221 7.360) 11.556 12.342 ( -10.604 6.265 -9.876) 15.787 12.351 ( 0.159 3.368 -6.122) 6.989 12.617 ( -1.650 -5.631 2.333) 6.314 12.858 ( 5.606 -4.368 -1.713) 7.310 12.890 ( -4.201 -1.755 8.305) 9.471 13.273 ( 10.736 -0.718 -10.571) 15.084 13.364 ( 10.274 3.499 -3.863) 11.520 13.503 ( 12.412 -2.730 6.164) 14.125 13.586 ( 4.472 4.124 -0.707) 6.124 14.037 ( -1.858 4.071 -0.944) 4.574 14.330 ( 0.138 12.350 0.419) 12.358 14.428 ( -2.644 3.877 3.510) 5.860 14.545 ( -4.677 -3.893 -14.793) 15.995 14.664 ( 2.791 5.658 -6.075) 8.758 14.826 ( -1.577 -3.989 -3.803) 5.733 14.889 ( 2.176 -7.071 -7.505) 10.538 15.188 ( 2.357 0.794 -2.074) 3.238 15.226 ( 2.966 -6.444 -4.175) 8.232 15.385 ( -6.548 -3.932 9.226) 11.978 15.551 ( 1.146 7.553 -7.332) 10.589 15.646 ( -6.983 1.347 0.350) 7.120 15.710 ( 11.575 -11.627 5.179) 17.204 15.964 ( -4.201 -5.053 0.996) 6.647 16.274 ( 4.140 6.038 -5.829) 9.358 16.360 ( -7.812 -5.266 3.875) 10.187 16.622 ( 0.859 0.971 0.856) 1.554 16.800 ( -3.705 5.472 16.421) 17.701 17.174 ( -19.895 9.020 -2.991) 22.048 17.569 ( 8.367 -18.202 -4.681) 20.573 17.791 ( 5.102 -8.585 2.999) 10.427 18.035 ( 1.560 -4.152 0.161) 4.438 18.165 ( 13.525 -18.892 -0.306) 23.237 18.296 ( 2.511 -2.625 -0.705) 3.701 18.543 ( 4.709 -1.206 2.708) 5.565 18.710 ( -0.154 -8.031 -1.248) 8.129 19.129 ( -6.048 4.616 -10.045) 12.601 19.326 ( 3.146 -1.721 -4.092) 5.441 19.374 ( 1.404 -1.640 4.248) 4.765 19.574 ( -4.276 -8.583 1.505) 9.707 19.701 ( 8.195 14.764 -1.880) 16.990 19.889 ( -8.768 -5.949 -5.054) 11.739 20.167 ( -2.414 -2.996 -9.401) 10.158 20.875 ( 2.148 -10.179 -0.051) 10.403 21.586 ( -5.603 -4.871 -3.917) 8.394 21.639 ( -0.654 -12.816 1.055) 12.876 22.012 ( 0.518 1.089 5.856) 5.979 22.105 ( -2.230 -11.301 -1.033) 11.565 22.225 ( -8.471 -1.474 3.321) 9.217 22.507 ( -1.431 -4.314 1.569) 4.808 22.584 ( -5.694 5.643 -7.552) 11.013 22.825 ( 16.890 -2.990 -4.749) 17.798 23.750 ( 7.225 15.073 -12.954) 21.147 24.074 ( -7.590 16.282 -13.348) 22.381 24.513 ( -6.257 33.450 -3.835) 34.245 25.677 ( 36.889 37.900 -76.357) 92.885 26.725 ( -1.595 -2.395 -29.601) 29.741 28.388 ( 1.035 -0.969 21.588) 21.634 28.423 ( 1.198 -0.755 14.197) 14.268 29.232 ( 2.518 -5.509 31.927) 32.497 30.454 ( -40.883 -39.323 72.274) 91.876 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 46.434 34.772 22.980) 62.396 3.369 ( 48.663 19.762 33.941) 62.535 4.215 ( -42.018 32.624 16.685) 55.751 4.447 ( -51.055 13.861 23.625) 57.938 5.239 ( 78.368 32.618 39.398) 93.582 6.791 ( -50.586 6.952 20.422) 54.994 7.494 ( -12.597 28.631 3.702) 31.498 7.718 ( -19.965 17.895 0.494) 26.815 8.705 ( 35.812 2.092 -7.873) 36.726 8.838 ( 17.390 -7.144 -2.481) 18.963 9.113 ( -0.568 -6.170 -5.725) 8.436 9.281 ( 0.455 -14.643 -5.734) 15.732 9.514 ( -17.713 -10.158 -9.454) 22.501 9.615 ( -19.880 -10.718 -8.003) 23.961 10.007 ( 6.162 -8.594 -2.675) 10.908 10.181 ( -8.242 -1.058 -3.077) 8.861 10.367 ( 9.811 15.788 -4.494) 19.123 10.636 ( -11.741 14.668 1.643) 18.861 10.910 ( 11.069 -0.336 -8.400) 13.899 11.102 ( -2.777 -2.406 -10.185) 10.827 11.317 ( 4.754 7.386 -5.523) 10.376 11.330 ( 17.504 9.420 3.055) 20.111 11.463 ( -6.104 2.632 0.784) 6.694 11.750 ( -20.116 7.299 -0.407) 21.403 12.249 ( 10.099 -4.435 2.721) 11.361 12.502 ( -9.443 -8.272 7.021) 14.384 12.606 ( 10.482 6.158 -6.465) 13.769 12.785 ( -3.654 3.969 0.262) 5.401 12.991 ( 7.909 2.134 2.351) 8.523 13.227 ( -10.540 4.502 -5.592) 12.753 13.507 ( 5.044 1.506 1.848) 5.579 13.593 ( -1.345 -1.222 1.464) 2.334 14.023 ( 16.935 -5.642 -5.807) 18.771 14.100 ( 10.683 -2.247 -4.686) 11.880 14.320 ( -6.135 2.960 -6.541) 9.444 14.373 ( -6.878 3.920 -6.425) 10.196 14.430 ( 7.216 5.942 -0.371) 9.355 14.676 ( -9.850 -8.403 -2.450) 13.177 14.815 ( 8.175 3.755 0.215) 8.999 14.985 ( 2.355 -5.995 -6.949) 9.475 15.104 ( -3.092 5.330 2.646) 6.706 15.274 ( -5.022 1.300 3.218) 6.105 15.341 ( 4.742 -2.273 -1.866) 5.580 15.463 ( -7.700 -2.400 -0.540) 8.083 15.657 ( 7.115 3.602 -3.427) 8.679 15.819 ( -6.920 0.314 -3.985) 7.992 15.933 ( 7.857 -12.494 4.716) 15.494 16.134 ( -10.948 -8.996 4.451) 14.852 16.402 ( 6.078 2.529 -3.207) 7.323 16.549 ( -6.963 -1.209 -1.318) 7.189 16.753 ( 0.108 12.355 9.429) 15.543 16.837 ( -9.399 14.954 5.979) 18.647 17.750 ( 7.434 -17.351 -2.254) 19.010 17.850 ( -1.011 -14.617 1.270) 14.706 18.095 ( 6.056 -11.727 2.800) 13.492 18.261 ( -6.665 -18.844 0.986) 20.012 18.447 ( 11.632 2.005 -6.804) 13.624 18.621 ( 0.909 -4.970 -3.061) 5.908 18.795 ( 6.164 1.672 -0.337) 6.396 18.975 ( -7.827 5.489 -4.913) 10.748 19.296 ( 0.722 -8.901 -1.157) 9.005 19.421 ( -8.639 -8.821 -0.276) 12.349 19.509 ( 8.143 -1.107 -5.686) 9.993 19.690 ( -8.639 -4.150 -7.950) 12.453 19.912 ( 8.936 14.848 0.401) 17.334 20.074 ( -6.141 7.934 -2.025) 10.235 21.047 ( 12.621 -16.173 -0.092) 20.515 21.342 ( -13.965 -14.194 -1.815) 19.995 21.743 ( 7.641 -6.125 -0.882) 9.833 21.933 ( -9.686 -9.847 -2.887) 14.111 22.068 ( 4.017 2.623 4.118) 6.323 22.157 ( -3.041 4.166 0.761) 5.214 22.472 ( -1.646 -6.518 0.223) 6.726 22.480 ( -2.142 -0.326 0.771) 2.300 23.231 ( 20.306 -1.730 -7.906) 21.859 23.640 ( -16.614 -1.387 -12.325) 20.733 24.117 ( 10.483 32.963 -7.400) 35.372 24.343 ( -9.715 32.498 -5.048) 34.293 26.315 ( 21.863 10.279 -61.436) 66.015 26.628 ( -8.602 1.010 -43.246) 44.105 28.419 ( 1.542 -1.131 19.561) 19.654 28.439 ( -0.085 -1.179 17.163) 17.204 29.359 ( 10.618 -7.580 42.846) 44.789 29.730 ( -25.387 -14.981 59.675) 66.558 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 0.000 55.999 28.385) 62.782 3.014 ( 0.000 48.167 46.704) 67.092 4.788 ( 0.000 93.549 40.446) 101.918 6.120 ( 0.000 41.574 0.785) 41.581 6.602 ( 0.000 30.270 19.306) 35.903 7.124 ( 0.000 10.086 -5.410) 11.445 7.476 ( 0.000 17.240 3.641) 17.621 7.942 ( 0.000 -15.644 1.641) 15.730 8.371 ( 0.000 -22.347 -1.042) 22.371 8.378 ( 0.000 -37.620 -5.522) 38.023 9.401 ( 0.000 27.066 0.332) 27.068 9.443 ( 0.000 -18.646 -14.668) 23.724 9.634 ( 0.000 2.824 -8.714) 9.160 9.955 ( 0.000 2.947 4.575) 5.442 10.286 ( 0.000 7.520 -7.551) 10.657 10.470 ( 0.000 -7.559 1.334) 7.676 10.515 ( 0.000 4.971 10.048) 11.210 10.779 ( 0.000 10.156 -5.610) 11.603 10.805 ( 0.000 10.342 -4.671) 11.348 10.815 ( 0.000 9.259 -9.666) 13.385 11.112 ( 0.000 9.051 8.781) 12.611 11.299 ( 0.000 1.873 -7.810) 8.031 11.682 ( 0.000 3.994 4.197) 5.793 12.099 ( 0.000 17.459 -0.754) 17.476 12.350 ( 0.000 -5.181 -6.822) 8.566 12.426 ( 0.000 -10.018 4.275) 10.892 12.503 ( 0.000 -6.096 -3.459) 7.009 12.786 ( 0.000 -0.117 4.595) 4.596 13.047 ( 0.000 7.304 -6.779) 9.965 13.099 ( 0.000 6.736 -0.116) 6.737 13.182 ( 0.000 0.988 0.359) 1.051 13.463 ( 0.000 5.801 0.274) 5.808 13.851 ( 0.000 12.852 -2.335) 13.062 14.249 ( 0.000 9.952 -8.931) 13.372 14.359 ( 0.000 -4.668 -4.429) 6.435 14.423 ( 0.000 -7.251 -8.260) 10.991 14.571 ( 0.000 -4.128 -10.215) 11.018 14.624 ( 0.000 -7.333 -13.198) 15.098 14.804 ( 0.000 1.745 -0.548) 1.829 14.820 ( 0.000 8.321 6.067) 10.298 15.017 ( 0.000 -10.604 -10.032) 14.598 15.208 ( 0.000 -4.809 14.170) 14.963 15.318 ( 0.000 3.494 14.477) 14.893 15.385 ( 0.000 -1.155 11.146) 11.206 15.669 ( 0.000 -5.451 3.949) 6.731 15.820 ( 0.000 6.639 -0.701) 6.676 15.960 ( 0.000 5.661 -3.190) 6.498 16.287 ( 0.000 -1.738 10.785) 10.924 16.476 ( 0.000 0.035 -15.097) 15.097 16.508 ( 0.000 -4.090 -0.606) 4.134 16.860 ( 0.000 -2.108 13.524) 13.687 17.048 ( 0.000 -18.024 -6.691) 19.226 17.412 ( 0.000 -10.289 -7.010) 12.450 17.469 ( 0.000 -8.676 1.458) 8.797 17.714 ( 0.000 -14.738 4.972) 15.554 17.966 ( 0.000 -7.756 8.725) 11.674 18.235 ( 0.000 1.374 -4.780) 4.974 18.360 ( 0.000 -9.414 -4.948) 10.635 18.793 ( 0.000 12.093 -4.980) 13.078 19.268 ( 0.000 -9.011 -1.034) 9.070 19.295 ( 0.000 4.478 -8.171) 9.318 19.308 ( 0.000 4.399 1.772) 4.742 19.650 ( 0.000 6.009 2.510) 6.512 19.781 ( 0.000 7.901 -3.337) 8.577 19.850 ( 0.000 -9.264 0.232) 9.267 20.031 ( 0.000 -1.167 -8.696) 8.774 20.831 ( 0.000 -3.640 -10.798) 11.395 21.437 ( 0.000 -6.053 9.191) 11.005 21.568 ( 0.000 -9.871 -3.650) 10.524 21.658 ( 0.000 -27.716 -4.196) 28.031 21.915 ( 0.000 -16.647 3.561) 17.024 21.950 ( 0.000 -4.993 13.873) 14.744 22.470 ( 0.000 -2.117 -2.056) 2.952 22.563 ( 0.000 -2.212 -1.864) 2.893 23.033 ( 0.000 16.890 -12.753) 21.164 23.846 ( 0.000 1.563 -18.357) 18.423 24.615 ( 0.000 29.672 -12.247) 32.101 25.289 ( 0.000 33.407 -5.864) 33.918 26.181 ( 0.000 28.184 -65.388) 71.203 26.662 ( 0.000 -1.929 -27.124) 27.192 28.363 ( 0.000 -0.117 22.229) 22.229 28.404 ( 0.000 0.306 13.752) 13.756 29.066 ( 0.000 -8.876 26.458) 27.907 29.890 ( 0.000 -43.057 66.048) 78.843 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 28.033 47.404 26.426) 61.085 3.308 ( 26.257 44.638 38.720) 64.662 5.211 ( 37.594 84.497 37.412) 99.763 5.715 ( -34.202 30.824 6.751) 46.534 5.911 ( -42.860 32.625 13.326) 55.489 7.270 ( 0.689 16.630 8.934) 18.891 7.931 ( 34.017 8.606 -8.958) 36.214 8.136 ( -1.066 -14.750 -1.930) 14.914 8.265 ( 6.718 -16.007 0.280) 17.362 8.432 ( 4.589 -32.763 -2.435) 33.172 9.250 ( -35.134 23.564 4.112) 42.504 9.330 ( -16.217 -24.115 -5.156) 29.515 9.387 ( -6.690 15.268 0.676) 16.683 9.813 ( -1.751 15.793 -0.620) 15.902 10.161 ( -1.402 4.661 -3.751) 6.145 10.417 ( 0.027 14.907 -5.860) 16.018 10.554 ( 7.241 -10.930 -5.696) 14.295 10.643 ( -10.690 8.812 -9.151) 16.603 10.839 ( 4.400 7.892 -6.611) 11.196 11.039 ( 8.809 -1.515 -6.303) 10.937 11.214 ( 10.214 10.747 6.563) 16.214 11.445 ( 6.220 -2.282 -5.357) 8.520 11.692 ( -8.150 7.955 2.678) 11.700 11.999 ( -2.260 8.146 5.176) 9.912 12.289 ( -10.000 -5.773 -2.251) 11.764 12.434 ( 3.317 -8.123 -2.868) 9.231 12.613 ( -1.603 10.014 -0.347) 10.148 12.710 ( 5.994 -8.940 6.590) 12.621 12.988 ( 2.812 10.360 2.143) 10.947 13.273 ( 11.484 1.475 -11.618) 16.403 13.389 ( 9.731 -3.625 -1.039) 10.437 13.502 ( 6.047 4.921 0.533) 7.815 13.750 ( -6.783 9.018 -0.398) 11.291 14.143 ( -5.352 5.129 -6.873) 10.109 14.421 ( 2.378 2.321 -5.917) 6.786 14.433 ( -1.916 -3.071 -14.292) 14.743 14.590 ( 4.025 -6.555 -10.197) 12.773 14.663 ( -1.425 -4.076 -13.011) 13.708 14.760 ( -1.286 1.749 1.488) 2.632 14.856 ( 2.788 4.970 9.085) 10.725 15.062 ( 2.735 -6.630 -4.967) 8.724 15.198 ( 0.839 -1.838 9.912) 10.116 15.347 ( -3.738 1.063 12.239) 12.841 15.420 ( 6.528 -6.460 11.649) 14.834 15.673 ( 1.790 -3.186 3.961) 5.390 15.741 ( -6.752 5.611 -2.696) 9.184 15.955 ( -0.690 6.673 -4.481) 8.067 16.268 ( -8.863 -3.431 -1.386) 9.604 16.331 ( 2.535 -0.308 6.094) 6.608 16.634 ( -0.413 1.125 -3.285) 3.497 16.860 ( 2.834 -1.799 4.397) 5.532 17.147 ( 8.003 -19.891 -5.705) 22.186 17.215 ( -11.135 -5.326 -5.679) 13.587 17.538 ( 0.670 -15.225 4.318) 15.839 17.809 ( 7.560 -14.959 4.182) 17.274 17.892 ( -3.320 -7.969 7.292) 11.300 18.318 ( 7.102 -2.399 -4.930) 8.973 18.520 ( 11.786 -6.160 -3.974) 13.880 18.583 ( -14.616 5.946 -1.590) 15.859 19.199 ( -5.862 -7.542 -4.377) 10.507 19.238 ( -5.202 2.497 -7.012) 9.081 19.369 ( -0.068 -0.636 -5.124) 5.164 19.524 ( -2.853 3.457 4.345) 6.243 19.806 ( -3.484 -1.965 0.056) 4.000 20.019 ( 12.882 14.109 -2.075) 19.217 20.082 ( 3.868 -3.254 -5.290) 7.317 20.738 ( -3.395 -5.151 -5.630) 8.352 21.382 ( -6.315 -10.870 3.264) 12.988 21.538 ( -2.302 -0.672 2.213) 3.263 21.609 ( -3.146 -26.508 -2.299) 26.793 21.942 ( 4.545 -12.250 2.218) 13.252 22.074 ( 6.863 -6.162 8.162) 12.317 22.443 ( -1.316 -1.372 0.036) 1.902 22.746 ( 12.690 -2.783 -5.516) 14.114 22.873 ( -10.369 13.432 -10.006) 19.699 23.822 ( -5.041 -2.255 -16.649) 17.541 24.657 ( 5.078 33.295 -11.130) 35.471 25.224 ( -5.815 34.299 -6.696) 35.427 26.303 ( 9.753 19.223 -60.448) 64.176 26.672 ( 0.391 -1.369 -31.006) 31.038 28.372 ( 0.904 -0.224 21.731) 21.751 28.412 ( 0.566 -0.104 14.841) 14.852 29.078 ( 1.517 -9.336 29.312) 30.800 29.699 ( -15.237 -32.770 61.804) 71.595 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( 41.728 34.728 23.862) 59.301 4.043 ( 40.830 38.908 23.558) 61.122 4.846 ( -44.191 26.775 17.766) 54.639 4.974 ( -44.870 36.552 13.877) 59.514 6.235 ( 54.129 62.955 30.477) 88.443 7.157 ( -20.353 26.391 16.726) 37.289 7.906 ( -8.650 -2.627 -0.598) 9.060 8.066 ( -26.324 10.966 5.355) 29.015 8.538 ( 9.356 -35.393 -8.363) 37.552 8.644 ( 9.751 -11.795 -8.617) 17.563 8.806 ( 11.900 9.802 4.219) 15.984 9.066 ( -8.724 -9.831 2.298) 13.343 9.267 ( 4.016 4.967 -4.348) 7.726 9.710 ( -21.381 9.991 -13.722) 27.299 10.107 ( 6.935 16.206 0.181) 17.629 10.331 ( -10.783 14.531 -4.347) 18.609 10.670 ( 11.142 9.916 -2.406) 15.108 10.724 ( 6.697 -2.003 -8.868) 11.292 10.952 ( 5.906 1.180 -13.370) 14.664 11.118 ( -4.815 4.478 -7.112) 9.686 11.420 ( -3.697 3.718 -8.510) 9.995 11.454 ( 0.332 0.081 -0.321) 0.469 11.545 ( 9.360 6.665 8.196) 14.114 11.894 ( -15.562 6.347 5.739) 17.759 12.113 ( 4.363 -8.772 1.495) 9.911 12.294 ( -9.678 -11.668 6.019) 16.311 12.770 ( 9.255 8.875 -4.069) 13.453 12.868 ( 1.417 3.586 0.917) 3.963 13.121 ( 10.609 8.908 3.522) 14.294 13.335 ( -5.252 3.969 -8.769) 10.965 13.510 ( 1.638 -6.789 -3.680) 7.894 13.541 ( -4.256 1.821 2.873) 5.448 13.871 ( 16.088 -6.214 -4.502) 17.824 14.080 ( -2.848 -2.307 -8.077) 8.869 14.388 ( 0.460 5.020 -10.399) 11.557 14.445 ( -0.777 1.355 -8.798) 8.936 14.570 ( -2.565 -3.055 -12.144) 12.782 14.613 ( -6.480 8.584 -2.751) 11.101 14.777 ( 6.121 -3.432 0.465) 7.033 14.898 ( -2.498 -1.537 5.416) 6.159 15.135 ( 5.098 -6.260 0.688) 8.103 15.218 ( -1.078 -3.558 6.483) 7.473 15.337 ( 4.750 4.254 10.067) 11.916 15.459 ( -5.559 0.029 1.352) 5.721 15.638 ( 2.019 -2.357 5.525) 6.337 15.701 ( -1.909 -6.949 7.474) 10.383 15.957 ( 2.490 9.155 -7.453) 12.065 16.084 ( -8.353 4.342 -0.248) 9.417 16.409 ( 4.527 -0.832 1.791) 4.939 16.527 ( -6.510 -0.449 -1.323) 6.658 16.935 ( 2.807 3.002 -1.054) 4.243 17.019 ( -6.425 -0.030 -2.171) 6.782 17.342 ( 9.292 -21.484 -3.902) 23.730 17.496 ( -4.617 -19.477 1.263) 20.056 17.863 ( 3.359 -7.283 6.755) 10.486 17.958 ( -0.763 -10.697 5.234) 11.933 18.369 ( 0.616 -8.022 0.042) 8.046 18.442 ( 0.006 -13.002 -0.171) 13.004 18.789 ( 12.871 -2.814 -5.945) 14.454 19.044 ( -10.394 -4.830 -9.114) 14.643 19.120 ( -0.758 0.183 -5.724) 5.777 19.232 ( -8.788 -5.786 -5.609) 11.924 19.594 ( 5.701 6.997 0.856) 9.066 19.712 ( -5.154 4.668 -0.077) 6.954 20.152 ( 2.761 0.399 0.069) 2.791 20.177 ( 1.414 7.911 1.291) 8.139 20.851 ( 12.935 -4.296 -2.981) 13.952 21.155 ( -13.765 -6.072 -1.145) 15.088 21.528 ( 0.857 -9.098 3.943) 9.953 21.556 ( -1.766 -19.240 -0.010) 19.321 22.061 ( 6.298 -4.957 -1.176) 8.100 22.159 ( -0.603 -5.290 2.044) 5.703 22.438 ( 1.941 1.925 0.119) 2.737 22.571 ( -10.894 8.656 -5.003) 14.786 23.167 ( 20.584 -5.125 -7.295) 22.432 23.580 ( -16.874 -4.860 -11.960) 21.246 24.835 ( 10.525 35.321 -9.757) 38.125 25.057 ( -9.645 35.082 -8.185) 37.293 26.515 ( 8.830 7.018 -50.144) 51.397 26.647 ( -3.454 0.852 -39.753) 39.912 28.397 ( 1.288 -0.568 20.180) 20.229 28.417 ( -0.326 -0.656 17.421) 17.436 29.156 ( 6.514 -11.789 37.765) 40.095 29.371 ( -13.649 -18.919 50.251) 55.402 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 0.000 59.565 19.493) 62.674 4.044 ( 0.000 53.120 31.143) 61.576 6.665 ( 0.000 89.364 27.000) 93.354 6.753 ( 0.000 25.266 -2.438) 25.383 7.289 ( 0.000 -43.414 2.098) 43.465 7.325 ( 0.000 8.860 -4.277) 9.838 7.438 ( 0.000 -38.685 4.455) 38.941 7.531 ( 0.000 49.073 12.499) 50.640 7.891 ( 0.000 -9.200 3.964) 10.017 8.028 ( 0.000 10.549 2.755) 10.903 8.874 ( 0.000 -28.858 -6.242) 29.526 9.669 ( 0.000 -13.669 -1.599) 13.763 9.735 ( 0.000 -8.354 -1.672) 8.520 10.160 ( 0.000 19.775 -4.807) 20.351 10.223 ( 0.000 9.878 -3.288) 10.411 10.707 ( 0.000 16.410 5.160) 17.202 10.771 ( 0.000 16.977 -3.164) 17.270 10.932 ( 0.000 -18.786 0.213) 18.788 10.952 ( 0.000 8.490 -12.657) 15.241 11.047 ( 0.000 -3.475 -6.229) 7.133 11.160 ( 0.000 22.635 4.072) 22.998 11.306 ( 0.000 9.258 4.271) 10.196 11.895 ( 0.000 5.367 -6.204) 8.203 12.106 ( 0.000 -10.253 -2.917) 10.660 12.126 ( 0.000 -6.952 1.510) 7.114 12.281 ( 0.000 -13.682 -5.043) 14.581 12.507 ( 0.000 11.527 2.240) 11.743 12.876 ( 0.000 7.803 0.515) 7.820 13.181 ( 0.000 6.731 -0.147) 6.733 13.220 ( 0.000 2.822 1.495) 3.194 13.267 ( 0.000 6.656 -6.307) 9.169 13.578 ( 0.000 5.324 -2.279) 5.791 14.088 ( 0.000 10.098 0.239) 10.101 14.098 ( 0.000 -16.946 -9.254) 19.308 14.313 ( 0.000 -12.317 -8.232) 14.815 14.361 ( 0.000 -6.096 -11.559) 13.068 14.372 ( 0.000 -5.688 -16.928) 17.858 14.538 ( 0.000 -6.616 -5.885) 8.855 14.793 ( 0.000 10.728 -0.117) 10.729 14.904 ( 0.000 0.447 4.673) 4.695 15.009 ( 0.000 4.957 -6.089) 7.852 15.202 ( 0.000 6.058 15.986) 17.095 15.381 ( 0.000 0.471 11.864) 11.873 15.481 ( 0.000 7.416 15.265) 16.971 15.503 ( 0.000 -7.025 11.065) 13.107 15.987 ( 0.000 8.877 -3.198) 9.436 16.104 ( 0.000 6.013 -6.024) 8.512 16.220 ( 0.000 -5.206 1.135) 5.328 16.391 ( 0.000 -8.067 -4.957) 9.469 16.425 ( 0.000 -3.336 -4.630) 5.707 16.783 ( 0.000 -8.586 -7.935) 11.691 16.784 ( 0.000 -4.404 6.970) 8.245 17.195 ( 0.000 -7.652 -2.302) 7.991 17.267 ( 0.000 -10.838 0.980) 10.882 17.391 ( 0.000 -15.470 6.415) 16.748 17.782 ( 0.000 -10.588 10.816) 15.136 18.229 ( 0.000 -3.309 -2.716) 4.281 18.278 ( 0.000 1.542 -3.945) 4.236 19.039 ( 0.000 9.732 -14.818) 17.728 19.044 ( 0.000 -9.845 -12.667) 16.043 19.340 ( 0.000 -0.029 -4.633) 4.633 19.397 ( 0.000 4.053 4.442) 6.013 19.653 ( 0.000 -6.348 1.425) 6.506 19.861 ( 0.000 -1.064 -4.445) 4.571 19.879 ( 0.000 14.460 1.473) 14.535 20.149 ( 0.000 11.090 2.730) 11.421 20.765 ( 0.000 -2.794 -11.201) 11.544 21.099 ( 0.000 -21.381 -0.475) 21.386 21.307 ( 0.000 -8.195 14.804) 16.921 21.326 ( 0.000 -17.046 0.701) 17.060 21.733 ( 0.000 -2.661 1.019) 2.849 21.837 ( 0.000 -5.154 11.204) 12.332 22.438 ( 0.000 -0.960 -2.892) 3.047 22.514 ( 0.000 -2.525 -2.892) 3.839 23.334 ( 0.000 12.939 -15.628) 20.289 23.816 ( 0.000 -3.469 -20.147) 20.443 25.214 ( 0.000 27.871 -12.693) 30.625 25.918 ( 0.000 28.115 -10.667) 30.070 26.321 ( 0.000 -7.202 -27.104) 28.045 26.735 ( 0.000 4.364 -40.822) 41.055 28.390 ( 0.000 3.070 20.580) 20.808 28.432 ( 0.000 2.890 18.165) 18.393 28.867 ( 0.000 -10.347 23.666) 25.829 29.206 ( 0.000 -26.327 50.059) 56.560 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( 17.009 53.781 19.659) 59.735 4.269 ( 19.929 49.970 26.759) 60.085 6.275 ( -34.876 28.779 4.074) 45.400 6.574 ( -42.652 26.600 7.092) 50.764 6.955 ( 24.429 82.047 26.022) 89.474 7.336 ( 5.310 -35.676 1.171) 36.088 7.474 ( -0.077 -41.736 5.613) 42.112 7.623 ( -8.448 -12.743 4.551) 15.952 8.190 ( 20.216 12.964 -5.619) 24.664 8.320 ( 13.163 6.520 2.638) 14.925 8.779 ( 3.424 -11.620 0.066) 12.114 9.709 ( -1.013 7.007 -4.859) 8.587 9.837 ( -3.548 12.140 -1.740) 12.767 10.152 ( -12.348 11.344 -1.737) 16.858 10.255 ( 8.574 14.722 -2.023) 17.156 10.410 ( -1.602 5.598 3.686) 6.891 10.731 ( -2.552 9.930 -10.340) 14.562 10.822 ( -5.569 6.085 -6.506) 10.506 10.980 ( -9.874 3.602 -4.299) 11.355 11.082 ( 2.204 0.111 -4.201) 4.745 11.208 ( 12.106 -8.258 0.502) 14.663 11.405 ( 8.536 7.889 2.705) 11.933 11.823 ( -9.265 -4.240 -6.244) 11.950 12.002 ( -9.803 -2.153 -1.002) 10.086 12.137 ( -2.454 -13.115 5.076) 14.275 12.353 ( -6.717 8.261 0.381) 10.654 12.527 ( 14.174 -7.554 1.327) 16.116 12.867 ( 2.436 12.754 -3.028) 13.333 13.207 ( 2.244 9.400 4.847) 10.812 13.278 ( 3.253 -5.712 -3.471) 7.434 13.330 ( 3.306 3.072 -7.601) 8.839 13.620 ( 5.296 6.194 -3.997) 9.077 13.847 ( -11.361 -1.709 -0.539) 11.501 14.185 ( -6.884 -1.263 -11.074) 13.100 14.275 ( 5.163 -9.745 -11.238) 15.745 14.356 ( 1.991 -11.248 -9.796) 15.047 14.459 ( 3.010 -6.114 -15.618) 17.040 14.645 ( 6.166 -0.157 -0.100) 6.169 14.827 ( 2.372 9.205 0.503) 9.519 14.885 ( -0.361 1.519 4.996) 5.234 15.035 ( 0.444 -0.676 -4.752) 4.821 15.181 ( 0.014 6.031 12.595) 13.965 15.404 ( 0.885 2.347 11.450) 11.722 15.456 ( -0.660 4.714 13.527) 14.340 15.555 ( 2.674 -4.720 10.569) 11.880 15.891 ( -7.280 8.403 -6.832) 13.049 16.093 ( -1.704 3.572 -8.058) 8.978 16.229 ( 2.757 0.311 2.432) 3.690 16.333 ( 2.511 2.024 5.324) 6.224 16.650 ( 5.779 -2.220 -3.421) 7.073 16.691 ( 0.707 -10.489 -4.842) 11.575 16.864 ( 2.951 -9.258 -4.197) 10.584 17.046 ( -10.677 -6.995 -3.234) 13.167 17.219 ( -4.153 -14.976 4.024) 16.054 17.480 ( 6.802 -16.827 6.085) 19.143 17.789 ( 0.039 -6.124 10.327) 12.007 18.157 ( -0.715 -7.420 -2.202) 7.773 18.442 ( 8.616 -4.925 -3.093) 10.395 18.761 ( -19.542 8.532 -6.749) 22.366 19.011 ( -3.369 -5.076 -16.895) 17.960 19.319 ( -3.719 -0.923 -3.871) 5.447 19.367 ( -8.078 5.002 -1.369) 9.600 19.578 ( 1.126 -3.742 -2.780) 4.796 19.756 ( 2.115 -0.318 2.968) 3.658 20.159 ( 1.000 10.887 3.875) 11.600 20.223 ( 10.763 5.773 -0.497) 12.223 20.651 ( -2.361 -3.429 -5.334) 6.766 21.130 ( -1.079 -15.178 4.605) 15.898 21.201 ( -0.509 -10.235 2.233) 10.488 21.545 ( 5.133 -2.179 3.124) 6.391 21.700 ( 4.309 -8.851 2.746) 10.220 21.927 ( 5.105 -7.719 7.235) 11.747 22.439 ( 1.178 0.916 -1.745) 2.296 22.659 ( 12.513 -4.849 -5.299) 14.429 23.149 ( -15.066 12.990 -14.061) 24.361 23.736 ( -8.626 -5.843 -17.738) 20.572 25.294 ( 7.264 28.725 -12.644) 32.214 25.863 ( -5.088 28.341 -11.010) 30.827 26.389 ( 5.818 -6.536 -29.027) 30.317 26.720 ( -1.588 2.439 -39.622) 39.729 28.396 ( 0.583 2.865 20.777) 20.981 28.433 ( -0.008 2.574 18.306) 18.486 28.871 ( 0.587 -10.679 25.793) 27.922 29.139 ( -5.677 -22.901 47.046) 52.631 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.715 ( 32.141 43.330 15.600) 56.160 4.848 ( 33.584 41.267 20.642) 57.069 5.480 ( -38.199 35.113 10.677) 52.973 5.659 ( -41.884 31.758 13.187) 54.192 7.289 ( 1.332 -17.463 9.954) 20.145 7.348 ( -5.223 -15.246 7.321) 17.701 7.687 ( 14.344 -45.117 -1.459) 47.365 7.782 ( 36.053 52.473 17.697) 66.079 8.051 ( -17.731 -38.793 -4.280) 42.867 8.463 ( -14.945 40.630 11.981) 44.919 9.224 ( 24.877 17.606 -4.158) 30.759 9.416 ( -10.580 37.603 4.592) 39.332 9.615 ( -4.029 22.048 -5.669) 23.119 9.922 ( -20.020 9.287 -14.364) 26.332 10.435 ( 7.768 11.688 -0.356) 14.038 10.568 ( 12.078 -5.950 -11.025) 17.402 10.621 ( -8.712 11.009 -1.964) 14.176 10.798 ( -7.506 -3.430 -15.521) 17.579 10.978 ( 17.003 3.390 1.104) 17.373 11.134 ( 2.883 -7.146 -1.150) 7.791 11.374 ( 0.778 -3.757 -5.721) 6.888 11.536 ( -14.210 3.331 -2.244) 14.766 11.654 ( 12.897 -2.524 5.411) 14.212 11.870 ( 1.675 -10.921 3.078) 11.469 12.026 ( -9.750 -9.408 5.520) 14.631 12.045 ( -14.449 8.826 4.259) 17.459 12.851 ( 11.261 -4.628 -1.446) 12.260 12.966 ( 1.930 6.005 -3.660) 7.292 13.256 ( 3.638 -0.859 -2.263) 4.369 13.337 ( -2.403 -2.261 -8.347) 8.975 13.363 ( 6.619 -0.912 -0.367) 6.692 13.583 ( -12.082 1.112 1.721) 12.254 13.826 ( 10.842 1.958 -5.058) 12.124 14.036 ( -8.059 -0.595 -8.021) 11.386 14.348 ( 1.748 -10.102 -15.038) 18.200 14.369 ( -0.529 -7.958 -13.695) 15.848 14.557 ( 6.290 0.729 -7.510) 9.823 14.681 ( -3.678 -0.503 -0.226) 3.719 14.880 ( 3.365 11.375 3.971) 12.509 14.908 ( 0.920 1.348 6.752) 6.947 15.044 ( 2.578 -3.282 -2.728) 4.986 15.153 ( -5.047 0.740 3.362) 6.109 15.425 ( 1.908 1.529 10.328) 10.613 15.455 ( -0.123 1.858 13.229) 13.360 15.604 ( 3.337 0.539 5.418) 6.386 15.733 ( -7.551 9.905 -1.721) 12.574 16.130 ( 6.213 6.834 -7.494) 11.894 16.265 ( -2.979 10.023 -2.147) 10.675 16.426 ( 5.993 4.948 4.722) 9.094 16.552 ( -5.724 3.650 3.043) 7.440 16.830 ( 0.524 -13.672 -3.422) 14.104 16.870 ( -4.266 -9.661 -2.105) 10.769 16.944 ( 7.432 -16.025 -5.924) 18.631 17.099 ( -6.434 -18.349 0.987) 19.469 17.670 ( 9.961 -19.052 5.698) 22.241 17.795 ( -0.517 -7.669 7.468) 10.716 18.151 ( 0.874 -8.548 0.934) 8.644 18.344 ( -17.001 6.130 -1.411) 18.127 18.646 ( 11.446 -10.035 -4.658) 15.919 18.899 ( -9.916 -7.535 -12.200) 17.434 19.185 ( -0.904 3.968 -4.729) 6.239 19.254 ( -4.795 6.058 -9.227) 12.035 19.676 ( 5.493 -3.203 -2.576) 6.861 19.766 ( -2.170 -1.694 1.331) 3.057 20.188 ( 1.958 7.768 5.131) 9.513 20.247 ( -3.297 2.616 3.600) 5.538 20.796 ( 10.679 -4.153 0.037) 11.458 21.000 ( -8.392 -9.966 5.059) 13.976 21.321 ( 8.410 -1.850 -0.213) 8.614 21.484 ( -6.217 3.666 2.899) 7.778 21.898 ( 8.433 -10.554 0.305) 13.513 21.991 ( -0.124 -10.107 3.630) 10.740 22.520 ( 7.531 5.912 -3.660) 10.250 22.778 ( -15.349 11.044 -10.118) 21.446 23.030 ( 18.822 -7.863 -7.921) 21.882 23.444 ( -18.037 -8.374 -12.768) 23.632 25.494 ( 10.595 29.200 -12.469) 33.472 25.709 ( -9.117 28.857 -11.807) 32.484 26.533 ( 6.919 -4.682 -32.877) 33.922 26.657 ( -4.495 -1.453 -36.667) 36.970 28.412 ( 0.876 2.381 20.556) 20.712 28.428 ( -0.508 2.166 19.261) 19.389 28.906 ( 3.055 -12.363 31.582) 34.052 29.005 ( -6.036 -16.657 39.599) 43.382 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.140 ( 0.000 54.401 17.616) 57.182 5.217 ( 0.000 59.089 13.732) 60.664 6.242 ( 0.000 -52.256 7.502) 52.791 6.402 ( 0.000 -55.840 9.999) 56.728 7.347 ( 0.000 26.892 -4.917) 27.338 7.478 ( 0.000 6.469 -3.121) 7.183 7.678 ( 0.000 -4.573 4.686) 6.547 8.001 ( 0.000 -24.299 -4.805) 24.770 8.373 ( 0.000 71.521 18.684) 73.922 8.586 ( 0.000 44.801 7.799) 45.475 8.721 ( 0.000 25.182 5.726) 25.825 9.174 ( 0.000 -28.504 1.284) 28.533 9.351 ( 0.000 -27.763 5.385) 28.280 9.854 ( 0.000 -55.338 13.861) 57.048 10.547 ( 0.000 14.771 -10.271) 17.990 10.667 ( 0.000 2.692 -5.564) 6.181 10.993 ( 0.000 9.178 3.486) 9.818 11.045 ( 0.000 7.881 -12.523) 14.797 11.078 ( 0.000 2.876 -0.621) 2.942 11.106 ( 0.000 2.954 -11.365) 11.743 11.453 ( 0.000 5.629 -5.302) 7.733 11.639 ( 0.000 -15.039 -9.961) 18.039 11.658 ( 0.000 22.937 2.907) 23.120 12.006 ( 0.000 -13.305 -5.545) 14.415 12.069 ( 0.000 2.428 3.817) 4.524 12.154 ( 0.000 -0.678 4.014) 4.070 12.741 ( 0.000 12.353 0.586) 12.367 12.946 ( 0.000 -4.526 -2.495) 5.168 13.263 ( 0.000 3.960 2.454) 4.659 13.304 ( 0.000 2.495 -4.874) 5.476 13.437 ( 0.000 11.522 -2.873) 11.875 13.677 ( 0.000 -0.571 -8.660) 8.679 13.776 ( 0.000 -8.226 -1.601) 8.380 13.969 ( 0.000 -16.569 -1.951) 16.684 14.218 ( 0.000 -4.159 -18.516) 18.977 14.248 ( 0.000 -5.078 -17.138) 17.875 14.259 ( 0.000 5.907 -2.865) 6.565 14.383 ( 0.000 -6.346 -1.079) 6.437 14.948 ( 0.000 3.433 6.813) 7.629 15.028 ( 0.000 -3.371 4.194) 5.381 15.188 ( 0.000 19.861 1.078) 19.890 15.309 ( 0.000 2.959 10.755) 11.154 15.368 ( 0.000 -0.012 8.620) 8.620 15.509 ( 0.000 -6.103 6.456) 8.884 15.562 ( 0.000 12.877 4.309) 13.579 15.917 ( 0.000 -19.026 -9.074) 21.079 16.157 ( 0.000 3.106 1.862) 3.621 16.177 ( 0.000 1.165 -3.080) 3.293 16.341 ( 0.000 2.746 2.397) 3.645 16.383 ( 0.000 -1.200 -4.435) 4.595 16.673 ( 0.000 -1.782 -5.017) 5.324 16.703 ( 0.000 -3.446 2.417) 4.209 17.071 ( 0.000 -6.276 3.649) 7.260 17.074 ( 0.000 -6.485 1.622) 6.685 17.278 ( 0.000 7.382 3.420) 8.136 17.526 ( 0.000 -14.189 7.179) 15.902 18.212 ( 0.000 1.295 0.198) 1.310 18.262 ( 0.000 -2.759 1.768) 3.277 18.963 ( 0.000 2.124 -21.682) 21.786 19.068 ( 0.000 -5.726 -22.436) 23.155 19.415 ( 0.000 7.045 -0.036) 7.046 19.460 ( 0.000 1.802 4.780) 5.109 19.591 ( 0.000 0.828 2.507) 2.640 19.730 ( 0.000 -10.042 -3.413) 10.607 20.240 ( 0.000 19.678 -0.270) 19.680 20.407 ( 0.000 10.906 3.518) 11.459 20.694 ( 0.000 -5.242 -3.956) 6.567 20.734 ( 0.000 -16.466 1.355) 16.522 21.056 ( 0.000 -5.533 4.871) 7.372 21.111 ( 0.000 -8.992 13.698) 16.386 21.727 ( 0.000 1.070 3.354) 3.520 21.762 ( 0.000 -2.442 6.804) 7.228 22.435 ( 0.000 0.763 -3.433) 3.516 22.466 ( 0.000 -2.103 -3.444) 4.035 23.559 ( 0.000 9.415 -18.619) 20.864 23.717 ( 0.000 -6.271 -20.234) 21.183 25.716 ( 0.000 21.533 -14.552) 25.989 26.086 ( 0.000 -15.059 -18.263) 23.671 26.407 ( 0.000 19.724 -18.219) 26.851 26.697 ( 0.000 -8.406 -29.291) 30.473 28.491 ( 0.000 6.804 20.310) 21.420 28.538 ( 0.000 7.803 26.254) 27.389 28.664 ( 0.000 -9.208 20.378) 22.361 28.783 ( 0.000 -15.973 35.839) 39.238 ======================= Grid point 66 (29/90) ======================= q-point: ( 0.20 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.288 ( 11.564 54.256 14.718) 57.394 5.312 ( 11.615 52.524 14.722) 55.772 6.365 ( 11.167 -50.038 7.066) 51.753 6.401 ( 0.696 -49.681 9.807) 50.644 6.923 ( -31.518 23.539 -0.329) 39.339 7.046 ( -31.233 21.796 4.798) 38.387 7.353 ( -23.940 -13.594 6.293) 28.240 7.732 ( -22.133 -34.342 -1.369) 40.879 8.608 ( 20.478 71.606 17.842) 76.584 8.927 ( 24.822 32.397 -1.583) 40.844 9.084 ( 25.639 31.009 4.788) 40.519 9.430 ( 19.004 -23.284 -3.949) 30.313 9.663 ( 20.998 -23.350 2.938) 31.540 10.040 ( 15.903 -51.111 11.302) 54.708 10.521 ( -2.144 12.260 -10.092) 16.024 10.582 ( -7.183 10.346 -5.816) 13.873 10.817 ( -14.600 17.363 0.928) 22.704 11.003 ( -6.184 -1.197 -10.216) 12.002 11.015 ( -6.918 6.756 -4.707) 10.754 11.114 ( 1.248 3.191 -3.207) 4.692 11.319 ( -12.005 6.491 0.620) 13.661 11.443 ( -8.980 -7.267 -6.294) 13.155 11.630 ( -1.847 -0.100 -1.350) 2.290 11.810 ( -11.139 -12.545 5.190) 17.561 12.181 ( 2.927 8.063 -2.850) 9.039 12.351 ( 13.314 -8.003 -1.473) 15.604 12.620 ( -10.539 15.552 0.563) 18.795 12.933 ( -2.398 -11.274 -2.655) 11.828 13.251 ( 0.689 8.044 -2.301) 8.395 13.351 ( 2.487 1.178 -1.291) 3.040 13.429 ( -1.071 8.272 -2.544) 8.720 13.662 ( -5.289 -12.838 -5.922) 15.095 13.770 ( 5.154 8.513 -3.799) 10.652 14.007 ( 3.947 -14.326 -5.291) 15.774 14.167 ( -3.639 -0.016 -12.505) 13.024 14.218 ( -0.588 -4.382 -10.102) 11.027 14.373 ( 8.340 2.215 -8.166) 11.880 14.510 ( 8.172 -8.815 -4.166) 12.722 14.944 ( -1.067 3.291 6.489) 7.353 15.000 ( -4.159 -1.936 3.677) 5.879 15.191 ( 0.847 17.825 0.236) 17.846 15.297 ( -0.411 3.156 6.991) 7.681 15.372 ( -0.421 -2.512 7.405) 7.831 15.480 ( -2.383 -6.366 6.542) 9.435 15.627 ( 5.922 13.229 3.836) 14.993 15.918 ( 2.831 -11.068 -5.622) 12.733 16.163 ( -0.363 7.983 0.563) 8.011 16.258 ( 7.950 0.310 -1.528) 8.101 16.393 ( 3.759 3.296 1.520) 5.225 16.488 ( 6.462 -6.139 -5.475) 10.461 16.618 ( -1.814 -1.771 0.220) 2.545 16.694 ( -2.921 -8.225 -1.121) 8.800 16.989 ( -5.595 -0.262 3.974) 6.868 17.085 ( -0.964 -1.318 0.925) 1.877 17.219 ( -4.311 0.367 4.832) 6.486 17.518 ( -1.794 -18.548 5.218) 19.351 18.152 ( -1.861 5.285 1.059) 5.702 18.297 ( 2.518 -8.161 0.427) 8.551 18.889 ( -11.849 5.270 -14.066) 19.132 18.978 ( -7.275 -2.212 -19.302) 20.746 19.316 ( -4.498 2.987 -0.710) 5.446 19.431 ( -1.785 -7.481 -3.298) 8.368 19.510 ( -4.432 8.544 -2.108) 9.853 19.694 ( -1.778 -7.957 -0.124) 8.154 20.353 ( 4.232 8.731 1.207) 9.778 20.425 ( 1.755 10.583 5.498) 12.054 20.588 ( -0.634 -0.681 1.832) 2.055 20.824 ( -0.158 -15.979 7.773) 17.770 21.147 ( 10.850 4.908 2.014) 12.077 21.341 ( 16.355 -12.694 3.893) 21.066 21.694 ( -2.331 3.790 3.988) 5.975 21.790 ( 1.328 -5.661 5.110) 7.742 22.481 ( 4.871 3.176 -3.776) 6.934 22.561 ( 8.881 -4.588 -5.030) 11.190 23.392 ( -14.346 10.977 -16.841) 24.696 23.590 ( -11.820 -8.538 -18.031) 23.189 25.805 ( 7.711 21.590 -15.348) 27.589 26.169 ( 7.117 -14.366 -19.933) 25.580 26.357 ( -4.654 19.862 -18.112) 27.280 26.656 ( -3.866 -9.175 -28.533) 30.220 28.493 ( 0.235 6.638 20.864) 21.896 28.532 ( -0.511 7.546 25.252) 26.360 28.663 ( 0.048 -9.447 22.091) 24.026 28.760 ( -1.984 -14.699 34.153) 37.234 ======================= Grid point 67 (30/90) ======================= q-point: ( 0.40 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.614 ( 21.486 44.133 10.429) 50.182 5.731 ( 25.180 45.572 13.222) 53.719 6.193 ( -31.476 32.475 5.804) 45.596 6.320 ( -26.540 29.286 8.883) 40.508 6.550 ( 4.530 -35.173 10.231) 36.909 6.719 ( 18.773 -46.546 6.082) 50.556 6.857 ( -19.606 -28.695 9.094) 35.924 7.210 ( -24.985 -42.074 3.153) 49.035 9.131 ( 24.591 61.232 13.356) 67.323 9.357 ( 8.331 38.466 1.593) 39.390 9.629 ( 25.751 23.049 -4.567) 34.860 9.783 ( 11.170 -9.948 -7.910) 16.920 9.932 ( 1.070 -5.100 -3.342) 6.190 10.202 ( -24.696 31.000 -1.006) 39.647 10.428 ( 16.722 -31.812 4.152) 36.179 10.587 ( -0.133 3.746 -6.936) 7.884 10.601 ( 5.011 0.424 -3.969) 6.407 10.767 ( -13.116 -3.710 -5.914) 14.859 10.790 ( -8.067 -2.695 -6.817) 10.900 11.028 ( -15.122 -15.421 1.214) 21.632 11.270 ( 4.723 -2.026 2.206) 5.593 11.371 ( 9.435 -6.724 2.417) 11.836 11.528 ( -9.804 -2.893 4.765) 11.279 11.617 ( -6.757 -10.916 2.970) 13.177 12.229 ( 2.879 18.396 -3.496) 18.945 12.366 ( -10.729 22.163 -1.168) 24.651 12.609 ( 10.859 -17.506 -4.165) 21.017 12.815 ( -8.284 -19.387 -3.810) 21.425 13.308 ( 3.602 8.783 -5.390) 10.916 13.368 ( -1.849 4.384 -2.988) 5.619 13.422 ( 2.625 1.186 0.719) 2.969 13.527 ( -6.384 -6.734 -2.073) 9.508 13.930 ( 8.106 7.742 -6.829) 13.126 14.072 ( -4.703 3.900 -8.860) 10.763 14.125 ( 4.825 -10.552 -9.773) 15.170 14.200 ( -1.791 -7.691 -11.309) 13.793 14.571 ( 9.798 3.620 -3.500) 11.016 14.671 ( 5.191 -1.996 -0.992) 5.650 14.850 ( -6.467 -4.923 2.973) 8.655 14.886 ( -5.282 -4.501 1.864) 7.186 15.214 ( 1.321 13.614 0.858) 13.705 15.259 ( -2.853 6.869 0.868) 7.488 15.381 ( 1.381 -4.481 7.172) 8.569 15.423 ( -2.603 -5.891 6.030) 8.823 15.811 ( 10.941 16.525 2.861) 20.024 16.017 ( -3.299 14.263 -0.573) 14.650 16.141 ( 6.388 -5.307 0.025) 8.304 16.369 ( -8.660 -5.460 -4.182) 11.058 16.486 ( 11.677 -2.124 -2.263) 12.082 16.580 ( 2.893 -3.176 1.024) 4.417 16.625 ( 0.304 -4.714 -0.024) 4.723 16.658 ( 0.982 -7.764 -1.085) 7.901 16.883 ( -3.407 9.165 2.788) 10.168 16.944 ( -9.492 14.747 0.837) 17.558 17.238 ( 5.964 -21.583 6.884) 23.426 17.407 ( -8.274 -24.789 4.773) 26.566 18.220 ( 9.198 9.529 -0.523) 13.254 18.432 ( 10.791 -10.751 -2.902) 15.507 18.525 ( -18.057 10.115 -5.117) 21.320 18.726 ( -15.275 -9.439 -8.427) 19.835 19.308 ( 3.634 7.937 -7.598) 11.573 19.407 ( -4.762 8.940 -6.663) 12.124 19.500 ( 5.297 -10.397 -6.274) 13.248 19.619 ( -5.133 -10.857 -3.041) 12.388 20.404 ( 2.263 11.525 5.754) 13.079 20.445 ( -0.866 14.850 8.854) 17.311 20.645 ( 4.822 -9.774 4.710) 11.873 20.757 ( -4.994 -13.816 8.789) 17.119 21.426 ( 12.247 9.605 0.375) 15.569 21.602 ( -2.353 5.410 2.774) 6.519 21.664 ( 7.562 -10.020 1.651) 12.661 21.787 ( -2.348 -9.538 3.321) 10.369 22.667 ( 13.153 8.325 -7.124) 17.119 22.843 ( 17.002 -8.449 -8.835) 20.941 23.024 ( -18.399 11.120 -12.343) 24.790 23.249 ( -19.032 -10.629 -13.423) 25.600 26.006 ( 10.338 21.271 -16.715) 28.961 26.212 ( -8.522 20.521 -17.635) 28.368 26.353 ( 9.160 -12.908 -23.310) 28.176 26.535 ( -7.414 -11.005 -26.409) 29.555 28.502 ( 0.612 6.495 22.080) 23.024 28.518 ( -0.805 6.889 23.471) 24.475 28.674 ( 1.131 -10.253 25.909) 27.887 28.711 ( -2.273 -12.148 30.201) 32.632 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.000 0.000 59.381) 59.381 2.561 ( 0.000 0.000 61.116) 61.116 4.719 ( 0.000 0.000 110.669) 110.669 5.248 ( 0.000 0.000 21.712) 21.712 6.605 ( 0.000 0.000 25.176) 25.176 6.873 ( 0.000 0.000 -2.105) 2.105 7.090 ( 0.000 0.000 12.056) 12.056 8.018 ( 0.000 0.000 -8.104) 8.104 8.112 ( 0.000 0.000 -12.537) 12.537 8.969 ( 0.000 0.000 -4.658) 4.658 9.029 ( 0.000 0.000 -3.740) 3.740 9.094 ( 0.000 0.000 -20.374) 20.374 9.723 ( 0.000 0.000 -26.119) 26.119 9.902 ( 0.000 0.000 -24.519) 24.519 9.933 ( 0.000 0.000 -13.135) 13.135 10.327 ( 0.000 0.000 -20.383) 20.383 10.481 ( 0.000 0.000 4.629) 4.629 10.684 ( 0.000 0.000 14.450) 14.450 10.822 ( 0.000 0.000 15.146) 15.146 11.077 ( 0.000 0.000 -5.118) 5.118 11.160 ( 0.000 0.000 11.630) 11.630 11.184 ( 0.000 0.000 19.985) 19.985 11.213 ( 0.000 0.000 8.599) 8.599 11.940 ( 0.000 0.000 -4.386) 4.386 11.955 ( 0.000 0.000 7.633) 7.633 12.370 ( 0.000 0.000 -14.034) 14.034 12.477 ( 0.000 0.000 -1.556) 1.556 12.782 ( 0.000 0.000 -12.231) 12.231 12.906 ( 0.000 0.000 -9.376) 9.376 12.991 ( 0.000 0.000 -0.752) 0.752 13.410 ( 0.000 0.000 4.599) 4.599 13.424 ( 0.000 0.000 -2.248) 2.248 13.501 ( 0.000 0.000 8.196) 8.196 14.160 ( 0.000 0.000 9.949) 9.949 14.225 ( 0.000 0.000 10.319) 10.319 14.262 ( 0.000 0.000 -16.300) 16.300 14.441 ( 0.000 0.000 -6.827) 6.827 14.579 ( 0.000 0.000 -4.952) 4.952 14.724 ( 0.000 0.000 3.991) 3.991 14.762 ( 0.000 0.000 -7.495) 7.495 14.987 ( 0.000 0.000 -16.218) 16.218 15.011 ( 0.000 0.000 -2.891) 2.891 15.343 ( 0.000 0.000 -6.752) 6.752 15.582 ( 0.000 0.000 -19.927) 19.927 15.772 ( 0.000 0.000 1.712) 1.712 15.781 ( 0.000 0.000 13.256) 13.256 15.983 ( 0.000 0.000 2.693) 2.693 16.062 ( 0.000 0.000 -0.241) 0.241 16.405 ( 0.000 0.000 -6.410) 6.410 16.618 ( 0.000 0.000 -4.181) 4.181 17.073 ( 0.000 0.000 -14.791) 14.791 17.341 ( 0.000 0.000 26.176) 26.176 17.814 ( 0.000 0.000 5.536) 5.536 17.848 ( 0.000 0.000 -11.564) 11.564 17.856 ( 0.000 0.000 2.585) 2.585 18.025 ( 0.000 0.000 0.238) 0.238 18.316 ( 0.000 0.000 -16.532) 16.532 18.511 ( 0.000 0.000 9.344) 9.344 18.987 ( 0.000 0.000 2.894) 2.894 19.055 ( 0.000 0.000 -10.843) 10.843 19.064 ( 0.000 0.000 -4.076) 4.076 19.328 ( 0.000 0.000 0.529) 0.529 19.575 ( 0.000 0.000 1.328) 1.328 19.779 ( 0.000 0.000 -27.498) 27.498 19.839 ( 0.000 0.000 -9.452) 9.452 20.102 ( 0.000 0.000 6.154) 6.154 21.227 ( 0.000 0.000 -1.309) 1.309 21.411 ( 0.000 0.000 -2.798) 2.798 21.526 ( 0.000 0.000 -9.860) 9.860 22.082 ( 0.000 0.000 11.965) 11.965 22.266 ( 0.000 0.000 10.253) 10.253 22.292 ( 0.000 0.000 -5.051) 5.051 22.530 ( 0.000 0.000 -4.621) 4.621 22.601 ( 0.000 0.000 2.515) 2.515 22.836 ( 0.000 0.000 -2.129) 2.129 22.979 ( 0.000 0.000 -19.499) 19.499 23.810 ( 0.000 0.000 -3.896) 3.896 23.823 ( 0.000 0.000 -8.619) 8.619 24.127 ( 0.000 0.000 -4.277) 4.277 26.192 ( 0.000 0.000 -30.702) 30.702 28.774 ( 0.000 0.000 22.646) 22.646 28.927 ( 0.000 0.000 26.634) 26.634 29.932 ( 0.000 0.000 33.568) 33.568 32.194 ( 0.000 0.000 -3.562) 3.562 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 27.604 0.000 52.208) 59.056 3.054 ( 40.161 0.000 51.440) 65.261 5.012 ( -21.965 0.000 24.562) 32.950 5.096 ( 34.982 0.000 99.585) 105.551 5.875 ( -41.034 0.000 26.482) 48.837 7.052 ( 0.283 0.000 8.337) 8.342 7.527 ( 32.135 0.000 -2.243) 32.213 7.853 ( -14.131 0.000 -6.331) 15.485 8.338 ( 17.225 0.000 -10.297) 20.068 8.870 ( -28.634 0.000 2.495) 28.742 9.037 ( -1.160 0.000 -4.783) 4.921 9.076 ( 9.776 0.000 -10.977) 14.699 9.735 ( -23.913 0.000 -14.913) 28.182 9.746 ( 3.001 0.000 -20.559) 20.777 9.888 ( -1.495 0.000 -21.445) 21.497 9.889 ( -17.658 0.000 3.913) 18.086 10.482 ( -1.763 0.000 1.901) 2.593 10.525 ( 12.062 0.000 -14.339) 18.738 10.823 ( -18.952 0.000 1.298) 18.997 11.011 ( 2.928 0.000 8.345) 8.843 11.119 ( -3.185 0.000 17.269) 17.560 11.159 ( -0.149 0.000 0.000) 0.149 11.541 ( 10.147 0.000 3.737) 10.814 11.939 ( -15.164 0.000 -2.939) 15.446 12.074 ( 10.926 0.000 -4.887) 11.969 12.156 ( 3.962 0.000 -2.109) 4.488 12.678 ( -1.131 0.000 -4.276) 4.423 12.772 ( 12.435 0.000 0.303) 12.438 13.089 ( 10.406 0.000 -3.580) 11.005 13.140 ( 0.727 0.000 -8.795) 8.825 13.192 ( -5.882 0.000 0.253) 5.887 13.635 ( 20.673 0.000 -2.444) 20.817 13.645 ( 5.731 0.000 6.369) 8.568 14.125 ( -2.304 0.000 6.837) 7.214 14.169 ( -2.006 0.000 5.122) 5.501 14.249 ( -3.215 0.000 -13.649) 14.022 14.374 ( -8.047 0.000 -5.668) 9.843 14.583 ( 6.420 0.000 0.603) 6.448 14.809 ( 4.469 0.000 -5.485) 7.075 14.868 ( 7.750 0.000 -0.207) 7.752 14.976 ( -1.924 0.000 -13.372) 13.510 15.072 ( 3.760 0.000 -6.607) 7.602 15.304 ( -1.321 0.000 -4.623) 4.808 15.532 ( -4.135 0.000 -12.162) 12.846 15.665 ( -9.327 0.000 1.577) 9.459 15.740 ( -3.864 0.000 2.425) 4.561 16.050 ( 5.845 0.000 -3.246) 6.685 16.075 ( 1.766 0.000 0.606) 1.867 16.373 ( -3.103 0.000 -5.304) 6.145 16.676 ( 1.578 0.000 0.936) 1.835 16.963 ( -8.919 0.000 -7.238) 11.486 17.245 ( -7.202 0.000 22.176) 23.317 17.725 ( 2.926 0.000 1.399) 3.243 17.910 ( 4.622 0.000 2.794) 5.401 18.061 ( 2.928 0.000 0.760) 3.025 18.147 ( 17.489 0.000 -16.153) 23.807 18.486 ( -1.732 0.000 8.296) 8.475 18.503 ( 11.516 0.000 -14.479) 18.500 18.807 ( -13.493 0.000 -6.333) 14.905 18.839 ( -10.214 0.000 3.060) 10.663 19.115 ( -1.427 0.000 -17.501) 17.559 19.492 ( 11.499 0.000 1.330) 11.575 19.575 ( -0.003 0.000 6.426) 6.426 19.651 ( -4.328 0.000 -11.954) 12.713 19.797 ( -7.760 0.000 -10.479) 13.039 20.062 ( -3.754 0.000 5.634) 6.770 21.281 ( 5.048 0.000 -1.040) 5.154 21.429 ( 2.778 0.000 -1.381) 3.102 21.609 ( 3.107 0.000 -12.916) 13.284 22.051 ( -15.703 0.000 4.416) 16.312 22.097 ( 1.794 0.000 8.033) 8.231 22.246 ( -2.217 0.000 -1.090) 2.471 22.481 ( -1.659 0.000 -4.728) 5.011 22.706 ( -0.851 0.000 0.549) 1.012 22.855 ( 7.848 0.000 -0.992) 7.910 23.198 ( 16.190 0.000 -13.196) 20.887 23.587 ( -8.906 0.000 -15.360) 17.755 24.058 ( -6.459 0.000 -4.733) 8.007 24.414 ( 37.498 0.000 -16.848) 41.110 26.097 ( -9.183 0.000 -32.295) 33.575 28.800 ( 2.328 0.000 22.960) 23.077 28.933 ( 0.210 0.000 26.172) 26.173 30.006 ( 7.576 0.000 34.437) 35.261 31.705 ( -38.483 0.000 15.662) 41.548 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 39.169 0.000 40.191) 56.121 4.008 ( 46.385 0.000 42.981) 63.237 4.367 ( -36.825 0.000 30.937) 48.095 4.970 ( -44.027 0.000 36.070) 56.916 6.140 ( 60.486 0.000 72.429) 94.363 7.184 ( 11.812 0.000 3.817) 12.414 7.467 ( -55.136 0.000 38.095) 67.017 7.505 ( -17.103 0.000 -0.662) 17.116 8.522 ( 22.805 0.000 -6.206) 23.634 8.685 ( 14.031 0.000 -13.555) 19.509 8.928 ( -8.811 0.000 -12.656) 15.421 9.133 ( -29.033 0.000 -18.500) 34.426 9.366 ( 16.228 0.000 -13.413) 21.054 9.678 ( -11.165 0.000 -18.212) 21.362 9.973 ( 14.451 0.000 -8.979) 17.014 10.006 ( 13.158 0.000 -6.455) 14.656 10.315 ( -13.558 0.000 0.717) 13.577 10.370 ( -21.451 0.000 -2.063) 21.550 10.789 ( 11.931 0.000 -9.124) 15.020 11.001 ( -6.690 0.000 -5.192) 8.468 11.191 ( 10.723 0.000 5.299) 11.961 11.255 ( 10.584 0.000 4.952) 11.685 11.497 ( -9.829 0.000 3.047) 10.290 11.521 ( -19.101 0.000 -4.984) 19.741 12.347 ( 14.057 0.000 -6.356) 15.427 12.428 ( 16.657 0.000 5.860) 17.658 12.605 ( -7.794 0.000 -5.151) 9.342 12.803 ( -17.835 0.000 6.614) 19.022 12.985 ( 6.265 0.000 -3.285) 7.074 13.088 ( -3.872 0.000 -7.343) 8.302 13.488 ( 13.831 0.000 -3.195) 14.195 13.679 ( -3.496 0.000 4.034) 5.338 14.020 ( 8.242 0.000 -1.691) 8.414 14.107 ( 1.567 0.000 1.459) 2.141 14.147 ( -5.493 0.000 -7.235) 9.084 14.203 ( -6.990 0.000 -4.341) 8.228 14.335 ( 20.801 0.000 -5.133) 21.425 14.760 ( -15.456 0.000 -11.746) 19.413 14.772 ( 9.943 0.000 2.891) 10.355 14.935 ( -3.157 0.000 1.668) 3.571 14.992 ( 9.114 0.000 -3.323) 9.701 15.129 ( -0.896 0.000 -7.997) 8.047 15.339 ( 3.913 0.000 -2.799) 4.811 15.464 ( -8.028 0.000 -0.718) 8.060 15.491 ( 2.572 0.000 -7.937) 8.344 15.617 ( -7.206 0.000 -6.999) 10.046 16.153 ( 5.377 0.000 -0.647) 5.415 16.197 ( 8.777 0.000 -4.612) 9.916 16.277 ( -5.654 0.000 -3.113) 6.455 16.472 ( -16.310 0.000 -0.631) 16.323 16.932 ( 4.856 0.000 12.241) 13.169 17.076 ( -8.067 0.000 18.929) 20.576 17.945 ( 15.943 0.000 -9.563) 18.591 18.025 ( 5.447 0.000 2.860) 6.152 18.100 ( -0.686 0.000 2.209) 2.313 18.322 ( -17.640 0.000 -19.055) 25.967 18.486 ( 3.112 0.000 5.872) 6.646 18.530 ( 15.387 0.000 -14.596) 21.209 18.626 ( -9.137 0.000 4.145) 10.033 18.777 ( -4.187 0.000 -9.088) 10.006 19.162 ( 12.059 0.000 -20.492) 23.777 19.495 ( -14.082 0.000 -13.784) 19.705 19.611 ( 0.185 0.000 5.407) 5.410 19.629 ( -1.738 0.000 9.782) 9.935 19.738 ( 11.015 0.000 2.629) 11.324 19.940 ( -7.743 0.000 4.263) 8.839 21.443 ( 10.310 0.000 -0.343) 10.316 21.511 ( 4.355 0.000 -5.315) 6.871 21.598 ( -3.268 0.000 -9.767) 10.299 21.714 ( -14.913 0.000 0.958) 14.944 22.164 ( 3.869 0.000 3.111) 4.964 22.222 ( -1.145 0.000 1.950) 2.261 22.478 ( 2.303 0.000 -4.197) 4.788 22.589 ( -7.001 0.000 -1.695) 7.203 23.109 ( 13.103 0.000 -4.921) 13.997 23.373 ( -11.439 0.000 -11.700) 16.363 23.554 ( 16.170 0.000 -8.591) 18.311 23.858 ( -12.154 0.000 -6.111) 13.604 25.207 ( 33.724 0.000 -33.187) 47.315 25.785 ( -20.642 0.000 -35.155) 40.767 28.862 ( 3.185 0.000 23.803) 24.016 28.919 ( -1.769 0.000 25.003) 25.065 30.291 ( 20.143 0.000 35.923) 41.185 30.879 ( -35.004 0.000 33.089) 48.168 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 0.000 27.135 54.823) 61.171 3.069 ( 0.000 47.486 50.206) 69.106 5.004 ( 0.000 29.791 100.978) 105.281 5.565 ( 0.000 29.016 18.751) 34.547 6.682 ( 0.000 8.521 23.875) 25.350 6.884 ( 0.000 3.305 -1.202) 3.517 7.275 ( 0.000 14.839 9.862) 17.817 8.071 ( 0.000 2.426 -4.798) 5.377 8.245 ( 0.000 10.859 -11.765) 16.011 8.790 ( 0.000 -19.075 -12.458) 22.783 9.096 ( 0.000 8.353 6.890) 10.828 9.122 ( 0.000 2.533 -19.434) 19.599 9.602 ( 0.000 -11.471 -22.630) 25.371 9.775 ( 0.000 4.814 -18.893) 19.497 10.234 ( 0.000 -15.422 4.432) 16.046 10.238 ( 0.000 14.858 -15.758) 21.658 10.363 ( 0.000 -0.055 -18.092) 18.092 10.712 ( 0.000 -0.463 5.980) 5.998 10.884 ( 0.000 -4.589 21.364) 21.851 10.903 ( 0.000 -15.080 -4.729) 15.804 10.959 ( 0.000 11.186 7.321) 13.369 11.200 ( 0.000 1.899 11.018) 11.181 11.682 ( 0.000 24.437 6.213) 25.215 11.774 ( 0.000 -3.996 1.561) 4.290 12.264 ( 0.000 14.287 0.784) 14.309 12.437 ( 0.000 -3.446 -3.964) 5.252 12.451 ( 0.000 3.971 -12.597) 13.208 12.793 ( 0.000 0.473 -4.943) 4.965 12.822 ( 0.000 -4.915 -7.388) 8.874 12.992 ( 0.000 1.311 -3.496) 3.734 13.363 ( 0.000 -3.530 8.646) 9.339 13.493 ( 0.000 8.280 -4.484) 9.417 13.494 ( 0.000 -0.617 6.541) 6.570 14.111 ( 0.000 0.494 3.867) 3.898 14.199 ( 0.000 -5.936 -18.265) 19.205 14.428 ( 0.000 4.959 0.010) 4.959 14.433 ( 0.000 -6.742 -4.842) 8.300 14.498 ( 0.000 1.379 -4.923) 5.112 14.733 ( 0.000 -3.181 -7.569) 8.210 14.792 ( 0.000 6.905 5.800) 9.018 14.986 ( 0.000 -3.887 -11.208) 11.863 15.100 ( 0.000 12.466 2.254) 12.669 15.417 ( 0.000 8.121 -8.538) 11.784 15.617 ( 0.000 -0.186 -9.909) 9.911 15.752 ( 0.000 -2.242 14.181) 14.357 15.783 ( 0.000 1.108 1.524) 1.884 16.012 ( 0.000 -4.419 0.441) 4.441 16.048 ( 0.000 6.741 -5.305) 8.578 16.425 ( 0.000 1.412 -3.319) 3.607 16.592 ( 0.000 -3.015 -3.569) 4.672 17.057 ( 0.000 -1.829 -17.644) 17.738 17.315 ( 0.000 -4.202 22.466) 22.856 17.551 ( 0.000 -20.293 -0.960) 20.315 17.662 ( 0.000 -9.504 1.913) 9.695 17.937 ( 0.000 -1.040 -1.936) 2.198 18.060 ( 0.000 0.603 -0.675) 0.905 18.292 ( 0.000 -2.855 -16.561) 16.805 18.420 ( 0.000 -7.923 9.575) 12.428 18.834 ( 0.000 -12.239 1.833) 12.376 19.071 ( 0.000 1.473 -3.285) 3.601 19.124 ( 0.000 5.211 -10.066) 11.335 19.377 ( 0.000 2.302 1.135) 2.567 19.615 ( 0.000 -1.042 -3.113) 3.282 19.683 ( 0.000 -5.096 2.263) 5.576 19.728 ( 0.000 2.723 -19.191) 19.383 20.038 ( 0.000 -7.220 1.684) 7.414 20.889 ( 0.000 -13.714 2.098) 13.873 21.509 ( 0.000 -1.179 -6.953) 7.052 21.646 ( 0.000 3.877 0.352) 3.893 22.058 ( 0.000 -18.193 -6.244) 19.235 22.199 ( 0.000 2.032 5.747) 6.096 22.398 ( 0.000 -21.866 -3.868) 22.205 22.414 ( 0.000 16.248 -2.989) 16.521 22.528 ( 0.000 -9.926 -1.336) 10.015 22.621 ( 0.000 0.380 4.534) 4.550 23.269 ( 0.000 15.820 -20.342) 25.769 23.899 ( 0.000 11.066 -8.925) 14.217 24.296 ( 0.000 41.975 -20.104) 46.541 24.509 ( 0.000 29.318 -6.793) 30.094 26.162 ( 0.000 -2.702 -30.588) 30.707 28.779 ( 0.000 0.619 22.907) 22.915 28.911 ( 0.000 -1.406 26.639) 26.677 29.866 ( 0.000 -6.377 33.049) 33.659 31.727 ( 0.000 -39.797 13.417) 41.998 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 27.208 27.314 47.460) 61.146 3.406 ( 29.494 35.731 47.584) 66.414 5.321 ( -14.723 28.122 31.243) 44.539 5.382 ( 26.609 29.294 81.082) 90.224 5.941 ( -40.398 7.465 24.705) 47.938 7.191 ( 0.647 12.442 10.678) 16.408 7.583 ( 30.547 5.803 -4.655) 31.440 7.993 ( -12.513 11.386 -6.729) 18.207 8.370 ( 14.500 0.221 -7.837) 16.483 8.852 ( 5.971 -19.967 -10.331) 23.260 8.971 ( -21.495 9.652 0.152) 23.563 9.126 ( -0.419 8.163 -4.316) 9.244 9.575 ( -1.494 -14.145 -15.250) 20.854 9.706 ( -12.346 3.754 -11.580) 17.338 9.947 ( -22.555 0.811 0.866) 22.586 10.079 ( -5.836 13.441 -10.088) 17.791 10.242 ( -6.466 -10.309 -3.550) 12.676 10.563 ( 9.785 3.277 -11.893) 15.745 10.785 ( 1.739 -12.486 4.444) 13.367 10.931 ( -2.493 1.056 -6.359) 6.911 11.186 ( 5.813 7.723 9.089) 13.268 11.326 ( -5.714 1.061 2.486) 6.321 11.576 ( -0.524 11.202 4.084) 11.935 11.930 ( 9.590 -1.670 -1.370) 9.831 12.138 ( -16.420 6.568 -9.422) 20.038 12.354 ( 7.552 13.186 2.373) 15.379 12.666 ( -4.065 -1.813 0.694) 4.505 12.736 ( 15.660 -0.307 -3.199) 15.987 13.021 ( 6.437 -3.420 -6.190) 9.563 13.142 ( 0.045 -5.005 2.948) 5.809 13.257 ( 2.575 5.207 -4.860) 7.574 13.516 ( 7.659 -0.319 -5.886) 9.664 13.671 ( 10.948 -1.929 9.000) 14.303 14.072 ( -2.298 -0.299 3.165) 3.923 14.184 ( -2.071 -4.616 -14.666) 15.514 14.292 ( -5.983 -0.144 -4.508) 7.493 14.436 ( -4.663 6.076 -5.081) 9.191 14.537 ( 4.282 -4.863 -3.609) 7.417 14.779 ( 3.779 -3.364 -4.594) 6.834 14.880 ( 6.050 6.438 5.976) 10.666 15.036 ( 3.555 -1.168 -9.605) 10.308 15.132 ( 2.544 8.080 -2.760) 8.909 15.407 ( -0.261 11.248 -6.247) 12.869 15.554 ( -7.134 -0.195 -4.225) 8.294 15.692 ( -7.902 -0.371 4.908) 9.310 15.720 ( -1.047 0.784 -1.367) 1.892 15.946 ( -1.072 -5.451 -0.307) 5.564 16.152 ( 5.105 3.080 -3.624) 6.977 16.374 ( -3.637 1.242 -2.919) 4.826 16.638 ( 0.052 -3.880 0.138) 3.883 16.975 ( -5.402 -0.201 -9.589) 11.008 17.245 ( -5.891 -1.059 18.664) 19.600 17.551 ( 2.842 -16.273 2.652) 16.731 17.811 ( 8.199 -10.797 -3.358) 13.967 17.988 ( 1.980 -5.083 -3.193) 6.321 18.093 ( 9.462 -3.117 -5.820) 11.537 18.361 ( -3.567 -10.029 5.592) 12.024 18.476 ( 10.376 -3.203 -11.920) 16.125 18.719 ( -8.141 -6.348 2.250) 10.566 18.925 ( -6.758 3.688 -5.676) 9.565 19.123 ( -4.410 1.114 -14.260) 14.968 19.462 ( 0.948 -8.340 1.078) 8.463 19.590 ( -2.638 -4.190 -10.333) 11.458 19.660 ( 3.425 6.119 0.227) 7.016 19.742 ( 2.235 8.719 2.677) 9.391 20.066 ( 1.227 -2.726 0.002) 2.990 20.914 ( 3.590 -16.300 3.013) 16.961 21.496 ( -3.511 -4.477 -3.502) 6.681 21.652 ( 0.524 2.051 -1.464) 2.574 21.956 ( -8.011 -14.111 -6.604) 17.519 22.174 ( -0.835 -0.795 1.903) 2.225 22.272 ( -6.211 4.608 2.557) 8.145 22.439 ( -0.649 -7.157 -6.987) 10.023 22.524 ( -1.246 -7.314 -0.488) 7.435 22.772 ( 12.954 -1.728 0.599) 13.082 23.421 ( 8.663 8.323 -16.068) 20.062 23.789 ( -4.188 22.862 -12.592) 26.434 24.380 ( -4.358 28.218 -8.851) 29.893 24.728 ( 26.025 27.108 -24.671) 44.953 26.080 ( -7.972 -1.514 -32.218) 33.224 28.802 ( 2.043 0.314 23.199) 23.291 28.916 ( 0.229 -1.422 26.216) 26.255 29.933 ( 6.815 -7.041 33.894) 35.282 31.360 ( -29.737 -30.317 23.865) 48.713 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.885 ( 37.970 29.150 36.796) 60.377 4.177 ( 40.327 17.396 42.279) 60.963 4.693 ( -36.051 29.215 28.786) 54.606 5.057 ( -41.922 8.857 34.015) 54.707 6.358 ( 54.733 22.619 65.861) 88.572 7.245 ( -4.541 8.049 17.665) 19.936 7.610 ( -17.215 16.577 4.580) 24.334 7.812 ( -26.453 21.511 13.011) 36.493 8.539 ( 12.948 2.112 -5.288) 14.145 8.665 ( 8.472 -5.339 -13.350) 16.688 8.992 ( -1.511 -3.869 -7.885) 8.912 9.107 ( 3.368 -3.040 -10.105) 11.077 9.236 ( -14.895 1.862 -15.972) 21.919 9.461 ( -13.299 -16.432 -7.118) 22.306 9.908 ( 7.041 -3.543 -8.349) 11.481 10.081 ( -8.320 -8.133 -5.160) 12.727 10.224 ( 17.344 16.543 -9.021) 25.610 10.642 ( -17.436 11.578 -1.523) 20.985 10.765 ( 6.645 -4.416 -6.696) 10.416 10.875 ( -0.543 -6.095 -8.757) 10.683 11.220 ( 3.035 3.430 -0.982) 4.684 11.377 ( 1.511 4.269 -1.117) 4.664 11.486 ( 0.770 8.806 2.884) 9.298 11.756 ( -15.265 12.198 0.913) 19.561 12.212 ( 14.184 -7.101 -4.529) 16.496 12.504 ( -7.640 -5.274 -3.934) 10.083 12.625 ( 9.347 8.872 5.433) 13.986 12.883 ( -10.919 3.962 6.087) 13.114 12.966 ( 5.892 2.140 -3.940) 7.404 13.072 ( -3.423 0.109 -8.651) 9.304 13.489 ( 10.374 -0.656 -4.206) 11.213 13.614 ( -0.837 -6.170 -1.035) 6.312 13.971 ( 9.679 -4.258 0.733) 10.600 14.073 ( -0.368 -2.733 2.073) 3.450 14.145 ( 3.185 0.963 -8.383) 9.020 14.228 ( -0.577 -0.268 -8.330) 8.354 14.352 ( 1.202 3.383 -4.968) 6.129 14.545 ( -7.096 -10.286 -5.469) 13.641 14.858 ( 5.923 1.039 1.270) 6.146 15.001 ( -2.392 4.665 4.306) 6.784 15.083 ( 7.340 5.706 -5.893) 11.007 15.236 ( 2.920 5.216 -8.137) 10.097 15.322 ( -3.233 1.065 0.340) 3.421 15.442 ( -6.409 0.983 -1.435) 6.641 15.573 ( 1.025 4.986 -4.651) 6.895 15.656 ( -4.827 4.863 -9.150) 11.431 16.010 ( 6.643 -8.550 2.478) 11.107 16.173 ( -5.730 -5.956 0.010) 8.265 16.340 ( 3.330 6.319 -2.798) 7.671 16.495 ( -10.151 0.493 -0.890) 10.202 16.961 ( 3.809 1.908 7.745) 8.840 17.091 ( -7.663 0.724 15.137) 16.981 17.685 ( 8.568 -17.714 -3.352) 19.961 17.843 ( -4.590 -17.217 -3.581) 18.175 18.124 ( 8.766 -3.943 -3.274) 10.154 18.266 ( -4.460 -10.558 1.082) 11.513 18.327 ( 8.876 -4.893 -5.628) 11.594 18.512 ( -9.157 4.090 -9.918) 14.105 18.669 ( 7.985 -2.694 -6.659) 10.741 18.876 ( -6.561 3.428 -5.137) 9.010 19.048 ( 6.602 -8.495 -15.745) 19.070 19.297 ( -12.268 -13.973 -8.864) 20.599 19.615 ( 2.789 1.476 7.529) 8.163 19.670 ( -2.123 4.834 7.926) 9.524 19.910 ( 9.728 13.519 0.262) 16.657 20.052 ( -3.267 7.121 0.090) 7.836 21.065 ( 10.348 -17.716 1.520) 20.573 21.318 ( -12.014 -13.286 -0.628) 17.923 21.682 ( 2.704 -0.295 -5.687) 6.304 21.783 ( -6.976 -5.628 -9.362) 12.962 22.184 ( 0.887 -2.439 2.484) 3.592 22.196 ( -1.058 -0.763 6.343) 6.476 22.432 ( 0.669 -4.043 -4.721) 6.251 22.476 ( -2.897 -4.570 -2.382) 5.912 23.079 ( 14.972 -0.681 -5.285) 15.892 23.371 ( -11.271 -0.004 -11.403) 16.033 23.921 ( 13.386 29.674 -10.902) 34.330 24.199 ( -11.541 28.044 -8.554) 31.510 25.332 ( 27.168 11.516 -35.062) 45.826 25.811 ( -17.590 2.567 -35.337) 39.557 28.856 ( 2.780 -0.422 23.990) 24.154 28.905 ( -1.499 -1.146 25.123) 25.194 30.187 ( 17.735 -9.925 35.509) 40.914 30.693 ( -29.435 -17.133 34.180) 48.251 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 0.000 43.662 43.115) 61.361 4.029 ( 0.000 43.422 49.116) 65.558 5.976 ( 0.000 64.386 71.433) 96.167 6.242 ( 0.000 31.840 10.667) 33.579 7.023 ( 0.000 9.837 -1.924) 10.023 7.037 ( 0.000 29.683 21.838) 36.851 7.595 ( 0.000 14.548 7.231) 16.246 7.960 ( 0.000 -17.579 -0.370) 17.583 8.309 ( 0.000 -22.014 0.513) 22.020 8.334 ( 0.000 -8.711 -2.901) 9.182 9.101 ( 0.000 -11.865 -17.628) 21.250 9.410 ( 0.000 2.814 -13.365) 13.658 9.413 ( 0.000 21.047 0.849) 21.064 10.009 ( 0.000 -1.984 1.502) 2.489 10.015 ( 0.000 11.617 -18.678) 21.996 10.406 ( 0.000 3.322 -19.533) 19.813 10.500 ( 0.000 7.659 -0.379) 7.668 10.589 ( 0.000 -7.352 -16.618) 18.172 10.646 ( 0.000 -1.667 0.677) 1.799 11.022 ( 0.000 14.205 19.633) 24.233 11.164 ( 0.000 6.237 -2.996) 6.919 11.275 ( 0.000 5.093 6.801) 8.496 11.765 ( 0.000 2.585 3.999) 4.762 12.076 ( 0.000 11.423 -2.269) 11.646 12.248 ( 0.000 -9.628 -3.734) 10.327 12.412 ( 0.000 -3.211 -5.816) 6.644 12.468 ( 0.000 -2.669 -3.366) 4.295 12.800 ( 0.000 1.043 1.755) 2.042 12.877 ( 0.000 9.042 -8.145) 12.170 13.057 ( 0.000 4.289 -3.449) 5.504 13.290 ( 0.000 -3.825 10.449) 11.127 13.507 ( 0.000 2.606 0.409) 2.638 13.734 ( 0.000 14.231 -9.553) 17.140 14.057 ( 0.000 -6.736 -17.998) 19.217 14.147 ( 0.000 1.851 -1.194) 2.202 14.275 ( 0.000 -11.505 -7.929) 13.973 14.335 ( 0.000 -9.567 -9.609) 13.559 14.500 ( 0.000 1.051 0.377) 1.116 14.735 ( 0.000 4.588 -6.787) 8.192 14.827 ( 0.000 -9.714 -6.001) 11.418 14.998 ( 0.000 10.069 7.811) 12.743 15.426 ( 0.000 11.801 10.359) 15.703 15.557 ( 0.000 0.078 0.703) 0.707 15.597 ( 0.000 6.479 -2.755) 7.041 15.733 ( 0.000 1.384 12.609) 12.685 15.808 ( 0.000 0.683 -1.045) 1.248 15.921 ( 0.000 -3.079 -0.093) 3.080 16.186 ( 0.000 5.206 -10.008) 11.281 16.443 ( 0.000 0.015 3.022) 3.022 16.489 ( 0.000 -6.787 -3.012) 7.425 16.939 ( 0.000 -13.175 -5.453) 14.259 17.135 ( 0.000 -12.022 11.577) 16.690 17.158 ( 0.000 -12.166 -12.559) 17.486 17.489 ( 0.000 -9.290 0.507) 9.304 17.795 ( 0.000 -12.356 2.540) 12.615 18.078 ( 0.000 2.006 -5.860) 6.194 18.198 ( 0.000 -5.027 -10.513) 11.653 18.233 ( 0.000 -9.048 12.458) 15.398 18.702 ( 0.000 -0.117 -3.960) 3.962 19.098 ( 0.000 -14.157 -16.795) 21.966 19.141 ( 0.000 5.187 -5.628) 7.654 19.343 ( 0.000 2.187 1.101) 2.449 19.659 ( 0.000 6.822 -7.728) 10.309 19.708 ( 0.000 5.647 2.699) 6.259 19.846 ( 0.000 -10.281 0.104) 10.281 19.951 ( 0.000 15.132 2.141) 15.283 20.675 ( 0.000 -7.541 -3.811) 8.449 21.480 ( 0.000 -4.571 -3.169) 5.562 21.596 ( 0.000 -24.789 -2.794) 24.946 21.687 ( 0.000 1.387 13.898) 13.967 21.922 ( 0.000 -17.678 -2.338) 17.832 22.166 ( 0.000 -4.431 4.686) 6.449 22.440 ( 0.000 -3.137 -1.715) 3.575 22.562 ( 0.000 -3.827 2.860) 4.778 22.731 ( 0.000 11.852 -13.784) 18.179 23.397 ( 0.000 -1.026 -22.133) 22.157 24.328 ( 0.000 27.523 -14.041) 30.897 25.122 ( 0.000 29.388 -10.338) 31.154 25.152 ( 0.000 36.316 -35.045) 50.468 26.097 ( 0.000 -3.190 -29.923) 30.092 28.808 ( 0.000 2.599 23.809) 23.950 28.884 ( 0.000 -0.820 26.647) 26.660 29.686 ( 0.000 -10.988 31.665) 33.518 30.850 ( 0.000 -42.672 30.483) 52.441 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( 22.582 38.670 39.405) 59.650 4.227 ( 17.857 40.050 46.947) 64.242 5.961 ( -22.863 27.257 17.903) 39.826 6.212 ( -25.891 31.744 24.374) 47.667 6.334 ( 14.478 53.952 59.167) 81.370 7.510 ( 1.310 17.737 13.558) 22.364 7.742 ( 26.246 8.257 -8.047) 28.667 8.089 ( -1.372 -9.293 -3.081) 9.886 8.178 ( 0.720 -21.461 -5.813) 22.246 8.463 ( 8.808 -11.820 2.820) 15.008 9.082 ( -2.941 -14.552 -11.794) 18.961 9.282 ( -11.322 11.594 -6.458) 17.444 9.442 ( -1.304 13.611 1.592) 13.766 9.885 ( -22.273 10.678 3.832) 24.996 9.999 ( -1.402 12.259 -11.408) 16.804 10.246 ( -9.571 6.120 -12.813) 17.124 10.391 ( -5.030 15.861 -6.596) 17.900 10.496 ( 2.069 -12.637 -0.912) 12.837 10.710 ( -2.383 9.689 -9.211) 13.579 10.890 ( 12.002 -2.760 -4.166) 13.000 11.270 ( -0.362 1.434 -1.505) 2.110 11.392 ( 5.998 4.900 1.949) 7.987 11.738 ( -7.909 1.153 0.111) 7.993 12.003 ( -0.646 6.981 -3.884) 8.015 12.200 ( -6.451 0.497 -5.074) 8.222 12.444 ( 1.733 -5.759 0.161) 6.016 12.698 ( -2.554 5.447 4.765) 7.674 12.804 ( 22.800 -1.728 1.224) 22.898 12.969 ( -2.672 -1.094 -0.521) 2.934 13.011 ( 5.463 2.777 -9.804) 11.562 13.330 ( -1.456 -0.275 -4.336) 4.582 13.606 ( 9.945 -2.634 7.071) 12.484 13.674 ( -2.997 11.208 -7.208) 13.659 14.072 ( 1.459 -0.633 -9.506) 9.638 14.107 ( -2.153 -1.461 -5.676) 6.244 14.213 ( -3.867 -6.344 -9.158) 11.793 14.339 ( -1.461 -11.695 -12.149) 16.926 14.587 ( 6.804 5.491 1.009) 8.801 14.720 ( -1.629 0.834 -5.446) 5.746 14.916 ( 7.291 -7.683 -5.699) 12.028 15.071 ( 5.144 8.340 8.585) 13.028 15.372 ( -3.609 10.657 5.952) 12.729 15.509 ( -6.350 -2.404 -4.659) 8.234 15.647 ( 0.091 1.736 5.392) 5.666 15.669 ( -2.589 9.339 1.873) 9.871 15.746 ( -0.948 -0.424 5.109) 5.214 15.873 ( -3.859 -1.098 -2.279) 4.614 16.189 ( -0.994 2.208 -5.043) 5.594 16.440 ( 0.311 3.039 2.453) 3.918 16.542 ( 0.927 -3.564 -4.404) 5.741 16.884 ( -2.299 -9.860 -5.958) 11.748 17.131 ( 4.726 -19.148 3.835) 20.092 17.164 ( -3.848 -9.565 4.424) 11.219 17.534 ( 2.285 -15.052 -5.007) 16.026 17.878 ( 3.578 -8.955 2.308) 9.915 18.031 ( 2.098 -2.437 1.692) 3.633 18.184 ( 2.075 -4.561 -6.440) 8.160 18.408 ( 8.109 -3.883 -5.044) 10.309 18.575 ( -7.632 -4.863 1.097) 9.116 18.984 ( -8.091 -11.728 -15.601) 21.128 19.035 ( -9.190 0.922 -10.210) 13.768 19.316 ( -4.726 0.461 -1.661) 5.031 19.604 ( 0.748 2.396 3.199) 4.067 19.845 ( 0.645 2.695 2.751) 3.905 19.948 ( 12.674 7.549 -4.072) 15.304 20.029 ( 6.818 9.798 1.366) 12.014 20.666 ( 1.436 -8.533 -0.704) 8.682 21.419 ( -7.494 -3.160 1.572) 8.284 21.547 ( -3.201 -23.330 -3.412) 23.794 21.681 ( -2.098 1.297 9.242) 9.565 21.939 ( 3.590 -14.904 -2.084) 15.471 22.195 ( 1.213 -4.936 1.162) 5.214 22.422 ( -1.370 -1.062 -2.562) 3.094 22.595 ( -8.659 7.899 -10.453) 15.705 22.713 ( 12.292 -4.423 -0.702) 13.082 23.439 ( 0.256 -3.943 -17.360) 17.803 24.375 ( 5.503 30.825 -15.056) 34.744 25.023 ( -6.847 31.425 -13.517) 34.887 25.316 ( 12.009 27.010 -33.579) 44.736 26.046 ( -4.936 -1.462 -31.493) 31.911 28.823 ( 1.290 2.086 24.019) 24.144 28.889 ( 0.311 -0.796 26.362) 26.375 29.736 ( 5.030 -11.930 32.418) 34.908 30.656 ( -16.410 -35.869 32.735) 51.258 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.486 ( 37.263 29.845 32.021) 57.485 4.733 ( 28.366 33.971 40.009) 59.660 5.337 ( -39.160 19.287 27.456) 51.569 5.383 ( -33.831 34.608 26.705) 55.276 7.083 ( 38.351 47.333 47.958) 77.532 7.538 ( -1.901 17.083 17.823) 24.761 7.908 ( -2.660 4.553 1.264) 5.423 8.115 ( -0.619 0.883 -4.837) 4.956 8.354 ( 7.443 -20.706 -9.792) 24.083 8.532 ( -11.857 -9.788 3.274) 15.720 8.950 ( -3.135 19.765 10.319) 22.516 9.068 ( 4.422 -6.957 -2.196) 8.531 9.215 ( -11.792 4.743 -0.522) 12.721 9.422 ( -17.665 8.438 -11.925) 22.923 10.026 ( 4.869 15.888 -9.122) 18.956 10.139 ( -4.554 12.823 -13.843) 19.411 10.490 ( 7.762 1.624 -12.500) 14.803 10.571 ( 1.291 -5.804 -6.398) 8.734 10.743 ( 7.494 2.808 -6.465) 10.288 10.959 ( -7.433 10.046 -7.095) 14.371 11.285 ( 4.302 1.754 -3.850) 6.034 11.457 ( -8.805 2.554 -1.072) 9.230 11.643 ( 10.658 4.995 1.367) 11.850 11.944 ( -12.912 6.271 -1.520) 14.434 12.104 ( 8.185 -3.748 -1.964) 9.214 12.346 ( -10.849 -8.956 -0.564) 14.079 12.796 ( 8.575 6.837 5.193) 12.134 12.921 ( -2.768 1.100 2.543) 3.916 13.089 ( 1.646 0.188 -14.205) 14.301 13.112 ( 1.585 7.348 -4.035) 8.531 13.367 ( 9.522 -9.673 -8.120) 15.817 13.554 ( -6.412 0.704 -3.530) 7.353 13.880 ( 9.775 -4.203 5.804) 12.121 14.018 ( -4.449 -2.436 2.853) 5.820 14.166 ( 0.551 -4.731 -11.325) 12.286 14.204 ( 3.816 1.377 -10.715) 11.457 14.295 ( 3.900 -4.988 -11.781) 13.374 14.543 ( -10.888 6.588 -4.101) 13.371 14.845 ( 12.253 -0.498 2.544) 12.524 15.071 ( -0.315 -2.125 2.627) 3.394 15.094 ( 1.523 0.362 3.348) 3.696 15.291 ( -11.103 -5.363 -3.298) 12.764 15.369 ( 4.564 9.675 -3.006) 11.112 15.510 ( -7.039 4.822 2.791) 8.977 15.731 ( 3.495 8.294 -7.506) 11.719 15.799 ( -2.644 6.068 -3.266) 7.380 15.849 ( 8.879 -4.758 9.079) 13.561 16.074 ( -9.982 -1.554 0.707) 10.127 16.461 ( 1.342 4.280 2.852) 5.315 16.495 ( -2.461 2.445 -0.756) 3.551 16.930 ( 4.485 -6.889 0.237) 8.224 17.044 ( -6.195 -6.941 5.107) 10.613 17.285 ( 8.982 -20.546 -1.251) 22.458 17.473 ( -7.488 -18.513 -3.821) 20.332 17.958 ( 5.156 -6.387 0.628) 8.232 18.068 ( -3.729 -7.696 3.747) 9.337 18.313 ( 10.815 -2.460 -5.887) 12.557 18.484 ( 1.274 -10.753 2.257) 11.061 18.537 ( 1.067 -3.718 -17.314) 17.741 18.742 ( -13.111 -14.988 -17.025) 26.199 18.961 ( 4.438 1.305 -5.749) 7.379 19.142 ( -10.073 -1.749 -2.766) 10.591 19.677 ( 4.890 3.382 5.700) 8.237 19.785 ( -4.778 4.607 6.551) 9.326 20.162 ( 5.737 4.875 -0.272) 7.534 20.186 ( 4.643 11.152 -0.068) 12.080 20.817 ( 13.253 -6.202 0.207) 14.634 21.156 ( -16.105 -2.849 1.508) 16.425 21.521 ( 1.364 -15.392 -3.440) 15.830 21.596 ( -4.851 -5.529 0.874) 7.407 22.052 ( 5.662 -7.515 0.781) 9.442 22.162 ( -4.330 -3.616 -0.139) 5.643 22.409 ( 0.999 0.980 -3.918) 4.160 22.461 ( -3.791 1.700 -5.912) 7.226 23.027 ( 15.635 -5.752 -4.712) 17.313 23.322 ( -10.888 -5.603 -10.576) 16.181 24.572 ( 12.002 32.116 -14.969) 37.411 24.829 ( -11.218 31.425 -13.538) 36.009 25.611 ( 14.371 14.037 -36.081) 41.297 25.882 ( -10.536 4.023 -34.622) 36.412 28.857 ( 1.722 0.867 24.632) 24.707 28.886 ( -0.801 -0.309 25.542) 25.557 29.918 ( 12.459 -15.735 34.131) 39.595 30.258 ( -18.840 -23.998 34.890) 46.348 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 0.000 51.162 32.837) 60.794 4.851 ( 0.000 39.479 44.684) 59.626 6.746 ( 0.000 18.449 2.312) 18.593 7.185 ( 0.000 17.453 0.325) 17.456 7.367 ( 0.000 -33.595 6.546) 34.226 7.488 ( 0.000 60.134 38.479) 71.391 7.572 ( 0.000 -21.811 12.693) 25.235 7.848 ( 0.000 38.802 17.163) 42.428 8.032 ( 0.000 -2.164 10.135) 10.364 8.102 ( 0.000 0.643 4.408) 4.455 8.753 ( 0.000 -14.532 -4.320) 15.160 9.610 ( 0.000 6.891 -11.413) 13.332 9.621 ( 0.000 -11.183 -3.542) 11.731 10.103 ( 0.000 7.307 -0.649) 7.336 10.142 ( 0.000 11.230 -4.795) 12.211 10.497 ( 0.000 1.959 -26.593) 26.665 10.511 ( 0.000 8.499 -18.736) 20.573 10.720 ( 0.000 8.982 -8.694) 12.500 10.853 ( 0.000 17.383 0.782) 17.401 11.121 ( 0.000 -11.383 2.657) 11.689 11.372 ( 0.000 12.689 6.644) 14.323 11.400 ( 0.000 12.681 10.837) 16.681 11.783 ( 0.000 -7.172 -3.631) 8.039 12.081 ( 0.000 -5.899 -1.512) 6.090 12.088 ( 0.000 -3.829 -6.515) 7.557 12.200 ( 0.000 -15.003 0.679) 15.018 12.509 ( 0.000 8.964 -2.256) 9.244 12.871 ( 0.000 5.604 -1.053) 5.702 13.080 ( 0.000 9.430 -10.344) 13.997 13.137 ( 0.000 2.406 -5.826) 6.303 13.225 ( 0.000 -1.821 4.358) 4.723 13.538 ( 0.000 -0.840 -9.000) 9.039 13.869 ( 0.000 -14.671 -12.424) 19.225 13.955 ( 0.000 2.249 -15.324) 15.489 14.042 ( 0.000 -6.739 -10.787) 12.720 14.134 ( 0.000 -8.430 -6.861) 10.869 14.191 ( 0.000 4.384 1.133) 4.528 14.532 ( 0.000 -4.635 3.190) 5.627 14.789 ( 0.000 13.388 -0.736) 13.408 14.860 ( 0.000 6.541 -7.756) 10.146 15.086 ( 0.000 -1.768 10.764) 10.908 15.441 ( 0.000 1.223 4.307) 4.477 15.631 ( 0.000 -1.867 10.256) 10.425 15.717 ( 0.000 -1.322 4.495) 4.685 15.762 ( 0.000 0.198 14.273) 14.274 15.805 ( 0.000 3.397 -10.130) 10.684 15.955 ( 0.000 5.718 -7.546) 9.468 16.268 ( 0.000 2.705 4.524) 5.271 16.349 ( 0.000 -5.867 -3.773) 6.976 16.425 ( 0.000 -1.288 3.441) 3.674 16.647 ( 0.000 -10.802 -0.487) 10.813 16.904 ( 0.000 -9.723 4.103) 10.554 17.050 ( 0.000 -0.504 -13.081) 13.090 17.278 ( 0.000 -10.256 0.167) 10.257 17.512 ( 0.000 -13.295 5.582) 14.419 17.960 ( 0.000 -12.501 -0.419) 12.508 18.134 ( 0.000 -0.951 -6.173) 6.246 18.237 ( 0.000 6.950 5.088) 8.613 18.713 ( 0.000 -19.880 -18.377) 27.072 18.717 ( 0.000 -1.301 -13.574) 13.636 19.250 ( 0.000 5.326 -4.879) 7.223 19.443 ( 0.000 5.623 0.483) 5.644 19.685 ( 0.000 -4.589 1.723) 4.901 19.750 ( 0.000 -0.249 -5.618) 5.623 19.888 ( 0.000 12.523 -0.105) 12.524 20.284 ( 0.000 16.683 8.857) 18.888 20.593 ( 0.000 -0.745 -5.110) 5.164 21.052 ( 0.000 -21.506 -3.705) 21.823 21.368 ( 0.000 -11.987 2.728) 12.293 21.676 ( 0.000 -3.999 20.943) 21.322 21.738 ( 0.000 -0.379 -0.004) 0.379 22.028 ( 0.000 -8.362 4.511) 9.502 22.387 ( 0.000 -1.933 -1.827) 2.660 22.467 ( 0.000 -4.551 -0.160) 4.553 22.936 ( 0.000 8.540 -21.086) 22.750 23.326 ( 0.000 -4.918 -24.544) 25.032 24.879 ( 0.000 25.330 -18.452) 31.339 25.634 ( 0.000 9.494 -32.586) 33.941 25.655 ( 0.000 22.546 -14.625) 26.874 26.077 ( 0.000 2.620 -29.120) 29.237 28.896 ( 0.000 2.448 26.656) 26.768 28.901 ( 0.000 6.973 25.552) 26.486 29.441 ( 0.000 -12.646 29.935) 32.497 30.074 ( 0.000 -33.394 33.946) 47.618 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.707 ( 14.215 46.612 31.033) 57.774 5.006 ( 14.211 37.924 42.045) 58.378 6.424 ( -25.085 21.934 10.648) 34.982 6.767 ( -33.514 22.681 11.006) 41.937 7.388 ( 5.442 -32.999 4.601) 33.760 7.596 ( -0.172 -29.709 11.439) 31.836 7.704 ( 14.525 53.946 33.515) 65.149 7.791 ( -4.286 2.393 16.745) 17.450 8.040 ( 6.627 4.592 -4.780) 9.373 8.423 ( 15.955 14.935 5.323) 22.493 8.803 ( 9.078 -0.794 2.685) 9.500 9.583 ( -2.793 9.474 -8.744) 13.192 9.689 ( 1.639 1.352 -11.106) 11.307 10.115 ( -7.696 11.880 -1.799) 14.269 10.232 ( 10.536 8.058 -1.711) 13.374 10.376 ( -7.279 6.569 -14.055) 17.137 10.436 ( -6.558 7.593 -14.383) 17.537 10.642 ( -4.629 6.738 -15.103) 17.173 10.888 ( -7.025 14.789 13.092) 20.963 11.059 ( 2.259 13.047 -6.296) 14.661 11.224 ( -1.339 -7.347 1.382) 7.595 11.473 ( 6.891 4.538 2.237) 8.549 11.724 ( -5.267 -3.931 -3.437) 7.417 11.946 ( -6.084 -8.249 -3.804) 10.933 12.192 ( 1.569 -11.270 -2.043) 11.561 12.339 ( -2.659 4.265 -1.676) 5.298 12.556 ( 10.491 -11.680 0.860) 15.723 12.855 ( 0.773 9.292 1.526) 9.448 13.093 ( -0.108 4.135 -11.894) 12.593 13.153 ( 4.193 8.492 -7.354) 11.990 13.216 ( -2.999 -8.083 -4.191) 9.586 13.607 ( 6.809 1.989 -1.673) 7.288 13.765 ( -7.452 -6.303 -8.421) 12.891 13.957 ( 0.690 -7.507 -11.656) 13.881 14.084 ( 0.223 -7.637 -8.345) 11.315 14.127 ( 0.439 -4.097 -7.019) 8.139 14.192 ( 2.445 5.869 -5.353) 8.311 14.641 ( 6.233 -3.376 0.209) 7.092 14.842 ( 4.877 6.895 -1.538) 8.584 14.852 ( -0.331 8.844 -5.298) 10.315 15.115 ( 1.769 -3.958 9.742) 10.663 15.383 ( -6.327 -0.639 2.294) 6.760 15.609 ( -2.662 2.773 7.581) 8.500 15.682 ( -2.887 -4.566 0.086) 5.403 15.716 ( -2.617 2.880 4.789) 6.171 15.800 ( 1.854 5.738 8.207) 10.184 15.934 ( -1.084 7.298 -6.919) 10.114 16.282 ( -0.676 2.655 -2.449) 3.675 16.444 ( 5.701 3.014 5.924) 8.756 16.485 ( 7.691 -9.156 -5.384) 13.114 16.690 ( 1.387 -4.663 3.725) 6.127 16.810 ( -4.776 -8.023 -4.882) 10.536 16.983 ( -5.065 -7.646 -1.359) 9.271 17.238 ( -3.393 -13.003 -1.566) 13.530 17.604 ( 6.532 -15.285 5.625) 17.548 18.000 ( -0.729 -7.587 5.968) 9.680 18.090 ( 2.925 -3.379 -4.275) 6.185 18.349 ( 6.952 1.114 -4.788) 8.514 18.574 ( -12.049 1.812 -10.247) 15.921 18.617 ( -7.638 -16.665 -18.153) 25.799 19.178 ( -6.565 8.335 -8.218) 13.420 19.331 ( -8.372 0.119 -2.129) 8.639 19.552 ( -2.991 -7.945 0.122) 8.490 19.802 ( 3.159 -1.182 1.666) 3.761 20.178 ( 14.169 10.438 -3.482) 17.939 20.328 ( 2.879 16.966 10.423) 20.119 20.568 ( 2.345 -1.455 -1.909) 3.355 21.110 ( 5.545 -15.170 -3.052) 16.438 21.366 ( -5.158 -5.345 9.595) 12.134 21.687 ( 0.004 -6.167 -3.204) 6.950 21.723 ( 2.451 -1.339 13.959) 14.236 22.052 ( 1.323 -8.836 2.132) 9.185 22.396 ( 0.936 -0.906 -2.294) 2.637 22.568 ( 8.809 -6.405 -1.796) 11.038 22.789 ( -10.584 8.519 -19.024) 23.378 23.314 ( -3.190 -7.699 -20.436) 22.070 24.957 ( 7.211 25.779 -18.798) 32.709 25.583 ( -6.013 23.142 -16.806) 29.226 25.693 ( 4.678 8.092 -31.531) 32.887 26.049 ( -2.715 2.667 -30.067) 30.307 28.899 ( 0.307 4.110 25.747) 26.075 28.908 ( 0.479 4.816 26.520) 26.958 29.472 ( 3.110 -13.523 30.485) 33.494 29.982 ( -8.065 -29.914 33.976) 45.981 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.155 ( 27.383 36.284 26.336) 52.535 5.426 ( 24.484 34.114 34.194) 54.153 5.809 ( -31.592 27.000 20.880) 46.508 6.034 ( -32.509 29.338 22.694) 49.321 7.495 ( 0.700 -25.922 9.113) 27.486 7.535 ( -4.096 -18.949 9.735) 21.694 7.683 ( 8.240 -32.182 2.451) 33.311 7.931 ( -10.711 -24.203 -4.466) 26.841 8.356 ( 29.958 54.848 34.073) 71.181 8.703 ( 4.613 29.657 7.333) 30.896 9.150 ( 20.465 14.368 -1.131) 25.031 9.478 ( -5.233 19.051 -7.394) 21.095 9.557 ( -12.615 20.460 -2.446) 24.161 9.642 ( -27.242 21.372 1.130) 34.644 10.316 ( 2.445 -0.112 -12.711) 12.944 10.370 ( -0.407 5.363 -20.213) 20.917 10.413 ( 4.294 7.827 -2.173) 9.188 10.549 ( -7.587 5.081 -8.062) 12.181 10.925 ( 13.626 7.878 -4.233) 16.299 11.121 ( -2.178 3.145 -3.538) 5.211 11.262 ( 5.528 -2.763 -0.634) 6.212 11.498 ( -13.281 3.096 -3.258) 14.021 11.724 ( 14.022 3.892 -0.300) 14.555 11.953 ( 7.108 -11.445 3.643) 13.956 12.064 ( -14.923 3.126 -3.003) 15.540 12.145 ( -8.973 -8.652 4.537) 13.265 12.788 ( 8.946 -13.639 -4.919) 17.037 12.914 ( 0.002 1.183 -1.459) 1.879 13.045 ( -0.476 -4.086 -15.085) 15.635 13.130 ( -4.507 -1.309 -11.549) 12.466 13.331 ( 10.868 4.546 -4.040) 12.454 13.560 ( -9.843 -2.426 -4.572) 11.121 13.818 ( 9.086 -1.506 1.742) 9.373 13.950 ( -2.548 -4.151 -2.444) 5.450 14.067 ( -0.377 -5.402 -8.899) 10.417 14.089 ( -2.493 -4.677 -7.250) 8.981 14.369 ( 11.827 5.136 -9.696) 16.133 14.613 ( -9.082 1.391 -6.128) 11.044 14.926 ( 8.398 1.758 -3.996) 9.465 14.988 ( 7.450 3.277 4.377) 9.241 15.108 ( -3.533 -6.907 5.692) 9.622 15.168 ( -11.728 0.898 -0.622) 11.779 15.578 ( 0.530 7.526 2.562) 7.967 15.623 ( -3.034 2.208 -0.948) 3.870 15.730 ( 3.942 -1.313 9.146) 10.046 15.811 ( -2.093 5.403 8.092) 9.952 15.975 ( 5.888 8.143 -5.321) 11.371 16.158 ( -9.711 6.359 -6.655) 13.380 16.567 ( 5.320 8.736 7.614) 12.751 16.636 ( -1.546 8.760 -1.096) 8.963 16.701 ( 7.660 -12.853 -4.304) 15.569 16.812 ( -1.066 -13.638 -1.530) 13.765 16.916 ( 2.999 -14.563 2.978) 15.164 17.099 ( -9.519 -17.546 -0.151) 19.962 17.780 ( 9.883 -15.952 4.039) 19.195 17.948 ( -3.952 -7.395 5.049) 9.788 18.170 ( 1.934 -11.428 0.506) 11.602 18.297 ( -11.080 0.187 -2.909) 11.457 18.479 ( 4.160 -2.171 -14.064) 14.826 18.510 ( -0.928 -7.480 -19.922) 21.300 19.053 ( -2.653 7.330 -8.008) 11.175 19.125 ( -8.709 0.069 -1.567) 8.849 19.623 ( 6.999 -10.168 -2.247) 12.547 19.772 ( -5.638 -6.913 -0.510) 8.935 20.329 ( 3.234 10.340 5.709) 12.246 20.370 ( -0.015 11.975 8.874) 14.904 20.805 ( 16.308 1.939 0.569) 16.432 21.136 ( -13.706 -2.809 7.328) 15.794 21.303 ( 11.266 -2.475 -0.989) 11.577 21.549 ( -10.124 1.750 2.147) 10.496 21.900 ( 8.797 -8.285 1.090) 12.133 22.037 ( -3.543 -8.462 0.257) 9.178 22.433 ( 2.897 1.874 -4.823) 5.930 22.544 ( -8.036 6.185 -11.117) 15.048 22.857 ( 14.379 -10.026 -7.102) 18.913 23.151 ( -11.823 -10.587 -13.321) 20.721 25.163 ( 11.372 25.487 -18.663) 33.574 25.403 ( -10.470 24.404 -17.441) 31.771 25.822 ( 6.852 5.271 -32.786) 33.907 25.960 ( -5.639 3.341 -31.905) 32.571 28.908 ( 0.464 4.157 25.838) 26.174 28.914 ( -0.008 3.989 26.449) 26.748 29.582 ( 7.357 -16.723 31.941) 36.797 29.775 ( -10.286 -22.762 33.408) 41.714 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.616 ( 0.000 52.118 24.558) 57.614 5.657 ( 0.000 39.894 31.932) 51.100 6.491 ( 0.000 -37.522 16.771) 41.100 6.687 ( 0.000 -49.090 17.135) 51.995 7.246 ( 0.000 15.719 -3.548) 16.115 7.384 ( 0.000 3.926 -5.349) 6.636 7.835 ( 0.000 -4.109 10.856) 11.608 7.948 ( 0.000 -13.614 1.254) 13.671 8.724 ( 0.000 23.828 8.525) 25.307 8.794 ( 0.000 39.664 11.850) 41.396 9.026 ( 0.000 54.951 28.001) 61.674 9.200 ( 0.000 -24.221 0.551) 24.227 9.489 ( 0.000 -14.537 6.699) 16.007 10.140 ( 0.000 -27.239 7.848) 28.347 10.274 ( 0.000 9.149 -14.402) 17.062 10.457 ( 0.000 -9.756 -17.110) 19.696 10.719 ( 0.000 8.403 -16.892) 18.867 10.786 ( 0.000 -4.602 -5.403) 7.098 10.957 ( 0.000 14.067 -10.972) 17.840 11.189 ( 0.000 5.916 5.758) 8.255 11.432 ( 0.000 -15.135 -8.099) 17.166 11.445 ( 0.000 -1.305 1.633) 2.091 11.710 ( 0.000 9.494 2.951) 9.942 11.863 ( 0.000 -8.661 -6.214) 10.659 12.119 ( 0.000 7.812 0.305) 7.818 12.213 ( 0.000 2.357 0.559) 2.422 12.705 ( 0.000 10.877 -4.531) 11.783 12.906 ( 0.000 -6.012 -2.341) 6.452 13.156 ( 0.000 1.997 -10.507) 10.696 13.182 ( 0.000 0.477 -7.792) 7.807 13.274 ( 0.000 6.700 -10.952) 12.839 13.464 ( 0.000 -10.127 -11.359) 15.218 13.658 ( 0.000 1.836 -18.144) 18.237 13.837 ( 0.000 -10.680 -16.617) 19.753 13.943 ( 0.000 -3.196 -0.293) 3.209 13.956 ( 0.000 -5.755 -1.168) 5.873 14.347 ( 0.000 6.886 7.496) 10.179 14.441 ( 0.000 -3.403 7.162) 7.929 14.977 ( 0.000 4.928 -7.636) 9.088 15.041 ( 0.000 -1.718 2.518) 3.048 15.163 ( 0.000 18.336 -3.382) 18.646 15.422 ( 0.000 -6.185 -3.913) 7.319 15.568 ( 0.000 -2.917 10.461) 10.860 15.590 ( 0.000 -5.604 1.349) 5.764 15.772 ( 0.000 1.838 13.582) 13.706 15.833 ( 0.000 -2.509 4.495) 5.148 16.097 ( 0.000 8.063 -4.494) 9.231 16.252 ( 0.000 -4.775 5.333) 7.158 16.290 ( 0.000 -0.032 -4.913) 4.913 16.337 ( 0.000 -5.663 -5.014) 7.563 16.596 ( 0.000 4.342 1.200) 4.505 16.734 ( 0.000 -7.927 0.433) 7.939 17.125 ( 0.000 3.110 0.890) 3.235 17.137 ( 0.000 -2.603 4.673) 5.349 17.372 ( 0.000 4.550 5.723) 7.311 17.656 ( 0.000 -17.083 4.059) 17.558 18.168 ( 0.000 4.571 -7.582) 8.854 18.321 ( 0.000 -7.453 0.650) 7.481 18.447 ( 0.000 3.142 -23.646) 23.854 18.607 ( 0.000 -8.449 -17.371) 19.317 19.397 ( 0.000 9.790 -2.508) 10.106 19.544 ( 0.000 3.396 3.840) 5.126 19.627 ( 0.000 -2.522 2.142) 3.309 19.630 ( 0.000 -9.359 -5.852) 11.038 20.220 ( 0.000 19.227 -1.795) 19.310 20.516 ( 0.000 0.158 5.684) 5.686 20.614 ( 0.000 1.938 -2.996) 3.568 20.699 ( 0.000 -12.599 -3.826) 13.168 21.232 ( 0.000 3.967 10.600) 11.318 21.475 ( 0.000 -14.745 20.165) 24.981 21.798 ( 0.000 4.417 3.328) 5.530 21.890 ( 0.000 -4.949 4.259) 6.530 22.367 ( 0.000 0.117 -2.351) 2.354 22.394 ( 0.000 -2.532 -2.421) 3.503 23.088 ( 0.000 6.770 -24.955) 25.857 23.216 ( 0.000 -5.862 -25.950) 26.604 25.322 ( 0.000 18.056 -22.118) 28.552 25.601 ( 0.000 -9.220 -26.274) 27.845 26.012 ( 0.000 12.171 -19.969) 23.386 26.136 ( 0.000 -0.211 -25.879) 25.880 28.993 ( 0.000 7.116 26.769) 27.698 29.097 ( 0.000 9.858 26.968) 28.714 29.208 ( 0.000 -6.857 29.673) 30.456 29.501 ( 0.000 -23.270 32.088) 39.638 ======================= Grid point 111 (44/90) ======================= q-point: ( 0.20 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.680 ( 6.642 48.092 23.448) 53.914 5.782 ( 11.350 38.098 29.771) 49.665 6.593 ( 8.298 -32.414 14.810) 36.591 6.675 ( -0.208 -40.313 16.079) 43.402 6.967 ( -21.076 11.949 5.510) 24.846 7.136 ( -20.831 6.881 3.568) 22.226 7.556 ( -20.574 -7.355 13.639) 25.757 7.745 ( -16.554 -20.289 4.023) 26.492 8.854 ( 14.593 22.220 -0.558) 26.590 9.084 ( 18.642 47.656 16.143) 53.659 9.213 ( 15.008 19.379 8.130) 25.823 9.380 ( 13.739 1.642 3.413) 14.251 9.689 ( 11.700 -7.647 -2.514) 14.202 10.221 ( 7.733 -17.526 -1.290) 19.200 10.299 ( 1.968 2.393 -7.315) 7.944 10.396 ( -3.178 -5.541 -11.810) 13.427 10.657 ( -5.132 11.478 -10.141) 16.153 10.763 ( -6.325 0.337 -6.475) 9.058 10.955 ( 3.098 -0.427 -7.999) 8.588 11.162 ( -3.170 -4.735 0.642) 5.734 11.281 ( -12.532 10.642 5.830) 17.444 11.467 ( -0.479 -8.968 4.792) 10.179 11.613 ( -1.484 8.535 0.532) 8.679 11.851 ( -3.581 -11.844 -0.366) 12.378 12.091 ( -0.212 10.254 -6.413) 12.096 12.310 ( 6.175 -8.486 -2.920) 10.894 12.569 ( -11.315 11.527 -6.221) 17.309 12.858 ( -6.038 -13.691 -5.477) 15.934 13.139 ( -2.040 9.023 -6.523) 11.319 13.220 ( 2.411 4.593 -12.349) 13.394 13.259 ( 2.153 1.935 -13.314) 13.625 13.472 ( -2.373 -15.264 -11.132) 19.041 13.711 ( 5.725 6.142 -8.263) 11.780 13.858 ( 3.060 -6.384 -10.590) 12.739 13.950 ( 0.093 -2.214 -2.729) 3.516 14.006 ( 2.827 -6.247 -4.044) 7.961 14.352 ( 2.388 8.781 3.995) 9.938 14.525 ( 6.406 -7.394 4.872) 10.929 14.937 ( -4.288 4.312 -7.646) 9.769 15.009 ( -2.518 -2.422 -1.136) 3.674 15.193 ( 1.515 15.007 -0.767) 15.103 15.364 ( -4.355 -1.730 -0.780) 4.751 15.535 ( -2.527 -4.626 5.005) 7.268 15.595 ( -1.234 -8.898 5.809) 10.698 15.768 ( 2.585 8.472 8.556) 12.315 15.910 ( 6.709 -1.453 6.253) 9.286 16.122 ( 2.459 9.329 -5.693) 11.202 16.256 ( 4.316 -3.876 -0.256) 5.807 16.342 ( -0.078 1.368 -7.402) 7.528 16.446 ( 7.123 -5.798 1.880) 9.375 16.581 ( -1.350 -1.479 -0.825) 2.165 16.697 ( -2.498 -10.022 0.783) 10.359 17.087 ( -3.905 14.960 0.949) 15.491 17.111 ( -2.355 2.031 6.134) 6.878 17.344 ( -0.604 -6.500 7.247) 9.754 17.632 ( -2.605 -22.840 5.167) 23.562 18.147 ( -0.989 5.532 -4.066) 6.936 18.299 ( -1.180 -9.184 -3.166) 9.786 18.471 ( 1.669 4.632 -21.512) 22.068 18.573 ( -5.089 -3.450 -16.141) 17.272 19.291 ( -6.320 3.285 -2.049) 7.412 19.384 ( -11.132 -3.831 -2.766) 12.094 19.443 ( -7.589 8.004 -2.335) 11.274 19.675 ( -3.448 -11.187 -1.468) 11.798 20.388 ( 9.565 10.616 1.624) 14.382 20.537 ( 6.477 -2.606 2.620) 7.457 20.670 ( 4.781 13.711 7.364) 16.282 20.902 ( 10.976 -9.039 -0.612) 14.232 21.286 ( 3.445 2.555 10.447) 11.293 21.485 ( 4.227 -12.652 9.399) 16.318 21.778 ( -2.434 4.488 5.241) 7.317 21.888 ( -0.453 -6.530 2.794) 7.117 22.399 ( 3.025 1.378 -3.411) 4.763 22.456 ( 5.908 -4.302 -3.950) 8.308 22.965 ( -10.249 8.822 -22.536) 26.282 23.144 ( -7.136 -8.794 -22.868) 25.519 25.398 ( 6.845 17.545 -22.529) 29.364 25.662 ( 5.398 -8.263 -26.901) 28.655 25.954 ( -5.289 12.732 -20.571) 24.764 26.094 ( -3.965 -1.129 -26.343) 26.663 29.003 ( 0.965 7.468 26.974) 28.005 29.093 ( -0.580 11.293 27.652) 29.875 29.217 ( 1.120 -9.855 29.323) 30.955 29.459 ( -3.691 -21.530 31.761) 38.548 ======================= Grid point 112 (45/90) ======================= q-point: ( 0.40 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.926 ( 16.918 38.317 19.413) 46.166 6.111 ( 18.610 31.904 23.019) 43.521 6.385 ( -23.377 27.330 12.977) 38.234 6.557 ( -20.819 16.843 13.334) 29.915 6.836 ( 7.337 -31.835 16.882) 36.773 6.933 ( 13.497 -32.577 15.376) 38.469 7.125 ( -17.452 -20.459 16.786) 31.700 7.339 ( -20.172 -29.277 9.985) 36.929 9.214 ( 16.300 19.884 -9.719) 27.486 9.389 ( 4.454 28.181 -0.886) 28.545 9.541 ( 10.492 -3.022 -11.086) 15.560 9.602 ( 3.950 7.556 -7.127) 11.112 9.867 ( 13.392 33.073 6.645) 36.295 10.200 ( -9.466 20.274 -0.358) 22.378 10.419 ( 1.200 4.351 -4.407) 6.308 10.472 ( 4.198 -2.430 -2.591) 5.499 10.500 ( -4.210 13.279 -4.163) 14.539 10.676 ( -0.854 -1.415 -6.517) 6.724 10.784 ( -6.951 -16.712 8.775) 20.116 11.010 ( -10.539 -14.781 -3.581) 18.504 11.318 ( 11.021 8.214 5.343) 14.747 11.509 ( 1.651 -7.227 6.467) 9.837 11.585 ( -0.447 -5.329 4.136) 6.760 11.736 ( -5.832 -13.740 8.049) 16.958 12.123 ( 3.391 14.874 -7.122) 16.837 12.287 ( -12.220 14.520 -7.455) 20.389 12.465 ( 8.073 -16.095 -9.811) 20.505 12.666 ( -10.352 -18.819 -11.128) 24.189 13.145 ( 2.310 10.295 -10.437) 14.841 13.208 ( -2.688 7.106 -12.555) 14.675 13.334 ( 3.354 -5.239 -10.391) 12.111 13.400 ( -3.283 -11.446 -11.176) 16.330 13.848 ( 5.858 3.985 -2.568) 7.535 13.926 ( -0.171 1.729 -4.623) 4.939 13.951 ( 2.141 -4.810 -4.055) 6.646 14.012 ( -2.119 -4.558 -2.228) 5.498 14.498 ( 10.522 9.081 -3.522) 14.338 14.658 ( 2.475 -0.099 -0.403) 2.509 14.808 ( -4.186 -4.761 -6.120) 8.812 14.907 ( -7.088 -9.228 -1.891) 11.789 15.231 ( 2.711 13.055 0.368) 13.339 15.293 ( -2.501 8.472 3.160) 9.381 15.485 ( -1.010 -8.904 1.880) 9.156 15.525 ( -3.963 -10.073 4.275) 11.638 15.921 ( 10.008 14.684 6.677) 18.983 16.071 ( 4.890 8.328 5.580) 11.154 16.132 ( -1.434 10.481 -3.112) 11.027 16.269 ( -6.477 4.187 -5.536) 9.493 16.430 ( 10.792 -9.605 -5.725) 15.540 16.515 ( 1.009 -9.825 -2.621) 10.218 16.564 ( -0.020 -8.435 -4.467) 9.545 16.644 ( -5.077 -15.573 -1.359) 16.436 17.006 ( -1.591 23.983 7.150) 25.077 17.039 ( -3.602 13.383 9.919) 17.043 17.399 ( 5.441 -19.564 8.160) 21.885 17.535 ( -6.317 -26.191 7.003) 27.837 18.182 ( 5.310 6.422 -4.158) 9.313 18.329 ( 3.595 -6.793 -7.723) 10.895 18.377 ( -10.036 3.601 -8.489) 13.629 18.456 ( -4.461 -2.835 -15.913) 16.768 19.178 ( -1.418 5.915 -4.349) 7.477 19.249 ( -6.190 11.550 -7.559) 15.128 19.372 ( 4.520 -11.803 -5.282) 13.699 19.530 ( -8.580 -14.546 -4.967) 17.604 20.561 ( 7.403 12.170 8.428) 16.552 20.681 ( -2.837 15.712 12.354) 20.187 20.765 ( 11.268 -6.307 6.189) 14.320 20.972 ( -5.968 -11.845 10.297) 16.791 21.432 ( 11.888 11.546 1.139) 16.611 21.647 ( -1.796 3.044 -2.431) 4.289 21.703 ( 4.039 -7.288 5.805) 10.155 21.846 ( -4.258 -9.625 1.599) 10.646 22.504 ( 7.195 5.296 -7.687) 11.786 22.641 ( 9.681 -6.172 -9.321) 14.789 22.720 ( -9.876 6.593 -15.209) 19.295 22.923 ( -12.827 -11.270 -16.190) 23.530 25.586 ( 10.103 16.048 -22.741) 29.611 25.796 ( -8.108 13.171 -22.550) 27.344 25.810 ( 6.847 -4.974 -26.932) 28.230 25.974 ( -7.076 -3.358 -27.270) 28.373 29.032 ( 1.660 8.793 27.536) 28.953 29.069 ( -1.619 10.930 28.080) 30.176 29.267 ( 3.618 -13.867 29.615) 32.900 29.362 ( -4.987 -17.654 30.804) 35.853 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 0.000 0.000 56.755) 56.755 3.789 ( 0.000 0.000 58.509) 58.509 5.727 ( 0.000 0.000 24.022) 24.022 6.824 ( 0.000 0.000 62.598) 62.598 7.018 ( 0.000 0.000 47.211) 47.211 7.132 ( 0.000 0.000 25.272) 25.272 7.370 ( 0.000 0.000 14.362) 14.362 7.810 ( 0.000 0.000 -12.645) 12.645 7.838 ( 0.000 0.000 -13.535) 13.535 8.547 ( 0.000 0.000 -22.067) 22.067 8.609 ( 0.000 0.000 -26.248) 26.248 9.169 ( 0.000 0.000 -26.751) 26.751 9.221 ( 0.000 0.000 2.643) 2.643 9.481 ( 0.000 0.000 -9.618) 9.618 9.618 ( 0.000 0.000 -17.461) 17.461 9.806 ( 0.000 0.000 -28.912) 28.912 10.587 ( 0.000 0.000 4.628) 4.628 10.867 ( 0.000 0.000 5.829) 5.829 10.888 ( 0.000 0.000 -10.500) 10.500 11.209 ( 0.000 0.000 19.017) 19.017 11.432 ( 0.000 0.000 12.248) 12.248 11.505 ( 0.000 0.000 17.214) 17.214 11.599 ( 0.000 0.000 19.293) 19.293 11.929 ( 0.000 0.000 1.848) 1.848 12.056 ( 0.000 0.000 2.252) 2.252 12.086 ( 0.000 0.000 -12.279) 12.279 12.502 ( 0.000 0.000 5.093) 5.093 12.538 ( 0.000 0.000 -10.647) 10.647 12.794 ( 0.000 0.000 0.886) 0.886 12.864 ( 0.000 0.000 -9.831) 9.831 13.326 ( 0.000 0.000 -7.444) 7.444 13.431 ( 0.000 0.000 -1.697) 1.697 13.677 ( 0.000 0.000 7.959) 7.959 13.951 ( 0.000 0.000 -14.056) 14.056 14.285 ( 0.000 0.000 -7.833) 7.833 14.372 ( 0.000 0.000 8.247) 8.247 14.413 ( 0.000 0.000 7.311) 7.311 14.468 ( 0.000 0.000 -5.699) 5.699 14.620 ( 0.000 0.000 -6.568) 6.568 14.754 ( 0.000 0.000 -6.143) 6.143 14.798 ( 0.000 0.000 1.673) 1.673 15.004 ( 0.000 0.000 -0.415) 0.415 15.179 ( 0.000 0.000 -8.584) 8.584 15.198 ( 0.000 0.000 -13.891) 13.891 15.758 ( 0.000 0.000 -3.223) 3.223 15.848 ( 0.000 0.000 -14.206) 14.206 15.890 ( 0.000 0.000 -1.622) 1.622 16.168 ( 0.000 0.000 8.507) 8.507 16.287 ( 0.000 0.000 -4.706) 4.706 16.360 ( 0.000 0.000 -21.633) 21.633 16.942 ( 0.000 0.000 0.932) 0.932 17.653 ( 0.000 0.000 -6.793) 6.793 17.788 ( 0.000 0.000 15.342) 15.342 17.792 ( 0.000 0.000 -26.266) 26.266 17.913 ( 0.000 0.000 3.714) 3.714 17.925 ( 0.000 0.000 4.262) 4.262 18.041 ( 0.000 0.000 1.889) 1.889 18.705 ( 0.000 0.000 8.353) 8.353 18.729 ( 0.000 0.000 -22.048) 22.048 19.026 ( 0.000 0.000 0.521) 0.521 19.042 ( 0.000 0.000 -1.415) 1.415 19.260 ( 0.000 0.000 -15.950) 15.950 19.371 ( 0.000 0.000 4.457) 4.457 19.567 ( 0.000 0.000 -6.374) 6.374 19.747 ( 0.000 0.000 -1.616) 1.616 20.196 ( 0.000 0.000 2.312) 2.312 21.225 ( 0.000 0.000 1.452) 1.452 21.381 ( 0.000 0.000 0.774) 0.774 21.443 ( 0.000 0.000 3.408) 3.408 22.195 ( 0.000 0.000 0.991) 0.991 22.213 ( 0.000 0.000 -7.026) 7.026 22.326 ( 0.000 0.000 -6.796) 6.796 22.511 ( 0.000 0.000 13.518) 13.518 22.553 ( 0.000 0.000 -21.369) 21.369 22.701 ( 0.000 0.000 4.945) 4.945 22.773 ( 0.000 0.000 -4.574) 4.574 23.690 ( 0.000 0.000 -8.040) 8.040 23.833 ( 0.000 0.000 7.562) 7.562 23.989 ( 0.000 0.000 -9.107) 9.107 25.550 ( 0.000 0.000 -30.995) 30.995 29.262 ( 0.000 0.000 23.392) 23.392 29.435 ( 0.000 0.000 22.136) 22.136 30.581 ( 0.000 0.000 28.973) 28.973 32.102 ( 0.000 0.000 -5.433) 5.433 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( 18.781 0.000 52.838) 56.077 4.130 ( 29.628 0.000 52.849) 60.587 5.558 ( -16.387 0.000 27.460) 31.978 6.434 ( -29.281 0.000 28.541) 40.889 7.126 ( 19.692 0.000 94.931) 96.952 7.234 ( -5.072 0.000 8.433) 9.841 7.555 ( 22.298 0.000 4.725) 22.793 7.711 ( -8.416 0.000 -7.031) 10.967 8.076 ( 14.697 0.000 -14.502) 20.648 8.626 ( 5.690 0.000 -21.904) 22.631 8.651 ( 1.111 0.000 -19.523) 19.554 8.953 ( -8.093 0.000 -16.065) 17.988 9.326 ( -13.767 0.000 -23.956) 27.630 9.345 ( -0.348 0.000 -21.555) 21.558 9.622 ( 14.224 0.000 2.618) 14.462 10.074 ( 0.291 0.000 -12.926) 12.929 10.307 ( -23.840 0.000 12.234) 26.796 10.546 ( -4.588 0.000 3.090) 5.531 10.848 ( -15.819 0.000 5.042) 16.603 11.104 ( -5.676 0.000 0.974) 5.759 11.290 ( -1.503 0.000 11.014) 11.116 11.485 ( -8.284 0.000 17.282) 19.165 11.609 ( 3.671 0.000 4.283) 5.641 11.780 ( -17.395 0.000 -8.415) 19.324 12.040 ( 8.529 0.000 0.508) 8.544 12.207 ( 12.131 0.000 4.234) 12.849 12.612 ( 2.380 0.000 -0.021) 2.380 12.847 ( 4.850 0.000 4.246) 6.446 12.886 ( 21.932 0.000 -11.753) 24.883 12.928 ( 1.150 0.000 -9.825) 9.892 13.235 ( -14.105 0.000 0.682) 14.121 13.522 ( 19.035 0.000 -7.557) 20.480 13.761 ( 2.987 0.000 3.786) 4.823 13.964 ( 1.115 0.000 -12.622) 12.671 14.234 ( -5.160 0.000 -6.520) 8.315 14.267 ( -4.963 0.000 4.736) 6.860 14.297 ( -5.988 0.000 5.280) 7.983 14.574 ( 7.572 0.000 -1.390) 7.699 14.668 ( 2.969 0.000 -10.317) 10.736 14.766 ( -1.963 0.000 -5.304) 5.655 14.865 ( 4.176 0.000 -2.410) 4.822 14.983 ( -1.936 0.000 -5.900) 6.210 15.183 ( 1.604 0.000 -6.403) 6.601 15.225 ( 2.930 0.000 -10.082) 10.499 15.656 ( -9.142 0.000 -3.271) 9.709 15.819 ( -7.220 0.000 1.535) 7.382 15.893 ( 7.109 0.000 -8.642) 11.190 16.124 ( -1.815 0.000 3.563) 3.998 16.280 ( -1.502 0.000 -3.245) 3.575 16.573 ( 15.800 0.000 -19.788) 25.322 16.841 ( -9.867 0.000 3.677) 10.530 17.477 ( -11.720 0.000 -6.879) 13.590 17.718 ( 2.011 0.000 -12.960) 13.115 17.850 ( 4.323 0.000 4.781) 6.446 17.948 ( 2.573 0.000 0.835) 2.705 18.101 ( 3.952 0.000 3.350) 5.181 18.293 ( 21.307 0.000 -2.067) 21.407 18.651 ( -3.423 0.000 6.643) 7.473 18.668 ( -6.675 0.000 -24.442) 25.337 18.709 ( -17.956 0.000 -5.979) 18.925 18.942 ( -6.357 0.000 7.386) 9.745 19.314 ( 0.023 0.000 -11.004) 11.004 19.515 ( 11.006 0.000 1.079) 11.059 19.683 ( 7.069 0.000 1.950) 7.333 19.791 ( 2.642 0.000 0.423) 2.676 20.145 ( -4.764 0.000 1.781) 5.086 21.282 ( 5.412 0.000 1.554) 5.631 21.367 ( -0.845 0.000 -1.275) 1.529 21.477 ( 1.120 0.000 0.234) 1.144 22.094 ( -3.125 0.000 -6.018) 6.781 22.101 ( -19.192 0.000 -1.003) 19.218 22.256 ( 0.786 0.000 -1.288) 1.509 22.334 ( 0.902 0.000 -4.374) 4.466 22.704 ( -3.096 0.000 -1.899) 3.632 22.862 ( 8.547 0.000 1.065) 8.613 22.976 ( 20.347 0.000 -6.586) 21.386 23.391 ( -13.166 0.000 -6.111) 14.515 23.917 ( -6.780 0.000 -8.939) 11.219 24.236 ( 23.325 0.000 -2.534) 23.463 25.456 ( -8.869 0.000 -29.530) 30.834 29.290 ( 2.494 0.000 23.339) 23.472 29.439 ( 0.023 0.000 22.319) 22.319 30.648 ( 6.766 0.000 27.657) 28.473 31.860 ( -20.738 0.000 1.985) 20.832 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.417 ( 29.413 0.000 44.182) 53.077 4.902 ( 39.925 0.000 43.887) 59.330 5.057 ( -28.981 0.000 35.100) 45.518 5.729 ( -36.723 0.000 37.103) 52.204 7.267 ( 7.421 0.000 3.956) 8.410 7.486 ( -11.752 0.000 -1.069) 11.801 7.701 ( 30.571 0.000 73.143) 79.275 7.986 ( 13.573 0.000 6.512) 15.054 8.353 ( 11.543 0.000 -17.805) 21.219 8.532 ( -6.710 0.000 -2.226) 7.069 8.580 ( -9.364 0.000 -19.676) 21.791 8.924 ( -32.471 0.000 11.050) 34.300 9.016 ( 11.473 0.000 -20.672) 23.642 9.245 ( -8.393 0.000 -23.349) 24.812 9.735 ( 6.894 0.000 -10.474) 12.539 9.984 ( 18.370 0.000 4.209) 18.846 10.140 ( -21.763 0.000 -19.359) 29.127 10.348 ( -14.376 0.000 2.166) 14.538 10.709 ( 11.318 0.000 2.335) 11.556 10.970 ( -9.964 0.000 1.470) 10.071 11.371 ( -0.220 0.000 10.814) 10.816 11.381 ( 8.245 0.000 7.442) 11.107 11.485 ( -10.109 0.000 1.653) 10.243 11.561 ( -7.091 0.000 4.318) 8.302 12.279 ( 13.826 0.000 -0.597) 13.839 12.520 ( 16.659 0.000 3.498) 17.023 12.557 ( -9.357 0.000 0.730) 9.385 12.886 ( -17.195 0.000 2.004) 17.311 12.894 ( 0.039 0.000 -9.487) 9.487 12.905 ( -0.455 0.000 -5.131) 5.151 13.342 ( 19.252 0.000 -10.179) 21.778 13.680 ( -11.237 0.000 -5.321) 12.433 13.907 ( 10.592 0.000 -8.674) 13.690 13.985 ( 0.146 0.000 -9.222) 9.223 14.158 ( 0.043 0.000 2.016) 2.016 14.197 ( -2.713 0.000 4.741) 5.462 14.311 ( 9.952 0.000 1.853) 10.123 14.602 ( -12.770 0.000 -3.901) 13.353 14.750 ( 8.231 0.000 -5.365) 9.825 14.765 ( 6.306 0.000 -17.204) 18.323 14.884 ( -3.300 0.000 -7.740) 8.414 14.903 ( -5.691 0.000 -15.527) 16.537 15.275 ( 6.653 0.000 -2.850) 7.238 15.355 ( 9.592 0.000 -0.740) 9.621 15.449 ( -9.488 0.000 -1.017) 9.542 15.599 ( -12.213 0.000 3.387) 12.674 16.139 ( 2.905 0.000 -0.911) 3.044 16.148 ( 16.316 0.000 0.023) 16.316 16.218 ( -3.914 0.000 -2.447) 4.616 16.528 ( -17.670 0.000 2.019) 17.785 16.930 ( 15.955 0.000 -10.757) 19.243 17.235 ( -12.491 0.000 -7.216) 14.426 17.789 ( 5.844 0.000 -9.559) 11.204 17.919 ( -2.453 0.000 -10.273) 10.561 18.034 ( 5.075 0.000 -1.720) 5.358 18.127 ( -2.419 0.000 -0.059) 2.420 18.376 ( -1.782 0.000 -5.722) 5.993 18.494 ( -8.261 0.000 -12.018) 14.583 18.647 ( 4.056 0.000 9.720) 10.532 18.787 ( -7.761 0.000 11.428) 13.814 18.834 ( 20.501 0.000 -10.117) 22.861 19.199 ( -11.912 0.000 -9.129) 15.008 19.768 ( 11.922 0.000 -0.082) 11.923 19.798 ( 3.576 0.000 7.130) 7.977 19.829 ( 0.696 0.000 6.960) 6.995 19.996 ( -9.157 0.000 0.635) 9.179 21.366 ( 1.334 0.000 -5.147) 5.317 21.433 ( -4.265 0.000 -5.093) 6.643 21.453 ( 10.622 0.000 1.431) 10.718 21.731 ( -15.454 0.000 0.487) 15.462 22.136 ( 5.574 0.000 -4.608) 7.232 22.236 ( -2.921 0.000 -2.596) 3.908 22.390 ( 5.189 0.000 -1.568) 5.421 22.559 ( -9.374 0.000 -0.957) 9.423 23.048 ( 7.901 0.000 -2.812) 8.387 23.193 ( -6.582 0.000 -7.642) 10.086 23.381 ( 17.531 0.000 -7.592) 19.104 23.706 ( -12.836 0.000 -8.432) 15.358 24.739 ( 23.096 0.000 -14.247) 27.136 25.176 ( -17.329 0.000 -24.332) 29.872 29.357 ( 3.483 0.000 23.180) 23.440 29.420 ( -2.053 0.000 22.802) 22.894 30.894 ( 16.792 0.000 23.252) 28.681 31.347 ( -24.784 0.000 14.629) 28.780 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( 0.000 19.038 55.348) 58.530 4.119 ( 0.000 38.923 51.616) 64.647 5.996 ( 0.000 24.247 22.349) 32.975 6.865 ( 0.000 4.406 34.586) 34.866 7.125 ( 0.000 12.244 66.389) 67.509 7.162 ( 0.000 4.902 21.505) 22.057 7.523 ( 0.000 12.642 15.322) 19.864 7.936 ( 0.000 9.160 -7.794) 12.027 7.987 ( 0.000 13.354 -12.730) 18.450 8.523 ( 0.000 -4.751 -13.247) 14.074 8.673 ( 0.000 5.950 -23.418) 24.162 9.113 ( 0.000 -4.621 -24.088) 24.527 9.226 ( 0.000 4.013 -3.794) 5.522 9.421 ( 0.000 0.643 -5.472) 5.510 9.836 ( 0.000 14.630 -22.391) 26.747 9.843 ( 0.000 3.198 -27.120) 27.308 10.396 ( 0.000 -16.347 6.309) 17.522 10.750 ( 0.000 -12.531 -8.033) 14.884 10.820 ( 0.000 -4.799 5.914) 7.616 11.200 ( 0.000 -1.271 11.913) 11.981 11.331 ( 0.000 -2.250 18.546) 18.682 11.398 ( 0.000 -4.561 7.646) 8.903 11.837 ( 0.000 -2.417 4.170) 4.820 11.852 ( 0.000 14.206 9.260) 16.957 12.186 ( 0.000 4.926 -7.657) 9.104 12.199 ( 0.000 4.925 -10.337) 11.451 12.439 ( 0.000 -4.884 5.403) 7.283 12.712 ( 0.000 14.533 -5.463) 15.526 12.741 ( 0.000 -2.083 2.239) 3.058 12.862 ( 0.000 0.534 -6.266) 6.288 13.269 ( 0.000 2.302 -10.972) 11.211 13.561 ( 0.000 -9.753 -2.436) 10.052 13.597 ( 0.000 7.517 6.492) 9.932 13.922 ( 0.000 -3.625 -5.430) 6.529 14.218 ( 0.000 -6.887 6.602) 9.541 14.317 ( 0.000 0.563 -6.620) 6.644 14.416 ( 0.000 -6.913 -0.074) 6.914 14.428 ( 0.000 1.448 -2.046) 2.507 14.584 ( 0.000 -4.310 -6.895) 8.132 14.818 ( 0.000 1.629 -4.946) 5.207 14.884 ( 0.000 6.994 0.705) 7.029 15.201 ( 0.000 19.726 4.408) 20.213 15.224 ( 0.000 6.356 -9.730) 11.622 15.285 ( 0.000 6.339 -16.327) 17.514 15.769 ( 0.000 0.989 -3.339) 3.482 15.876 ( 0.000 2.448 -13.145) 13.371 15.878 ( 0.000 -0.637 -0.810) 1.030 16.129 ( 0.000 -3.188 8.553) 9.128 16.309 ( 0.000 2.449 -7.901) 8.272 16.358 ( 0.000 -1.051 -20.204) 20.231 16.885 ( 0.000 -5.550 1.100) 5.658 17.522 ( 0.000 -13.090 -1.844) 13.219 17.615 ( 0.000 -17.378 5.145) 18.124 17.785 ( 0.000 -7.330 10.415) 12.735 17.838 ( 0.000 3.749 -19.012) 19.379 17.939 ( 0.000 1.453 1.035) 1.784 18.046 ( 0.000 -2.042 0.693) 2.156 18.589 ( 0.000 -7.356 -1.637) 7.536 18.806 ( 0.000 1.831 -12.830) 12.960 18.824 ( 0.000 -13.914 -3.251) 14.289 19.079 ( 0.000 0.113 1.410) 1.414 19.282 ( 0.000 0.620 -13.243) 13.257 19.409 ( 0.000 3.583 1.154) 3.765 19.664 ( 0.000 11.670 -1.830) 11.812 19.721 ( 0.000 -0.784 1.376) 1.583 20.077 ( 0.000 -10.084 1.237) 10.160 20.949 ( 0.000 -16.379 3.930) 16.844 21.474 ( 0.000 2.789 4.743) 5.502 21.628 ( 0.000 14.290 -1.437) 14.362 21.943 ( 0.000 -18.492 -4.922) 19.136 22.209 ( 0.000 -14.725 -13.833) 20.203 22.224 ( 0.000 0.479 -1.758) 1.823 22.472 ( 0.000 -11.135 -2.850) 11.494 22.484 ( 0.000 -0.546 8.276) 8.294 22.767 ( 0.000 2.856 8.002) 8.496 22.901 ( 0.000 15.209 -14.086) 20.730 23.859 ( 0.000 4.422 4.009) 5.969 23.991 ( 0.000 27.352 -12.449) 30.052 24.322 ( 0.000 25.982 -11.393) 28.370 25.515 ( 0.000 -3.102 -31.658) 31.809 29.269 ( 0.000 0.842 23.369) 23.384 29.421 ( 0.000 -1.195 22.318) 22.350 30.506 ( 0.000 -7.229 28.596) 29.496 31.850 ( 0.000 -23.259 0.827) 23.274 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( 18.155 22.144 50.500) 58.054 4.402 ( 24.689 29.935 49.150) 62.621 5.837 ( -15.619 25.306 26.230) 39.653 6.449 ( -28.527 2.706 26.514) 39.040 7.226 ( 12.046 12.566 70.561) 72.676 7.446 ( 3.894 15.701 23.367) 28.420 7.566 ( 18.883 3.601 6.557) 20.311 7.848 ( -7.591 11.939 -6.580) 15.603 8.143 ( 10.094 3.220 -12.303) 16.236 8.590 ( 6.340 -5.405 -16.354) 18.354 8.757 ( 3.773 8.763 -16.157) 18.764 8.934 ( -9.725 1.244 -15.105) 18.008 9.251 ( -2.231 2.347 -20.489) 20.744 9.549 ( -6.747 6.077 -22.893) 24.628 9.573 ( 8.756 2.204 0.901) 9.074 10.094 ( -2.971 -0.083 -14.459) 14.761 10.360 ( 3.284 -9.241 1.315) 9.895 10.408 ( -27.531 5.959 15.639) 32.219 10.844 ( -1.328 -6.941 0.059) 7.067 10.920 ( -8.287 -7.326 10.474) 15.233 11.350 ( -1.141 4.592 4.134) 6.283 11.367 ( -4.996 -10.040 2.664) 11.526 11.685 ( -9.699 9.017 6.655) 14.821 11.914 ( 3.770 -5.412 -0.096) 6.596 11.985 ( -6.524 9.112 -4.116) 11.938 12.342 ( 9.304 6.337 -2.798) 11.600 12.611 ( 3.975 -0.157 -2.340) 4.615 12.796 ( 5.128 -1.628 1.950) 5.723 12.888 ( 3.750 0.628 -3.904) 5.450 13.004 ( 16.262 4.690 -8.933) 19.138 13.279 ( -10.699 3.532 -1.884) 11.424 13.389 ( 6.624 -7.337 -3.568) 10.509 13.782 ( 8.803 -1.008 -1.730) 9.028 13.930 ( 0.148 -2.265 -4.036) 4.631 14.192 ( -1.549 -3.091 5.483) 6.482 14.250 ( -6.977 -1.257 -3.784) 8.036 14.300 ( -3.110 -2.472 -1.878) 4.394 14.514 ( 3.937 -2.328 -0.109) 4.575 14.639 ( 3.342 -4.049 -9.211) 10.602 14.849 ( 2.315 5.457 -6.208) 8.584 14.955 ( 4.903 5.399 -3.482) 8.081 15.109 ( -4.643 11.870 -2.021) 12.905 15.258 ( -0.096 7.527 -8.364) 11.252 15.296 ( 1.733 8.163 -12.116) 14.712 15.667 ( -8.710 1.451 -3.599) 9.535 15.792 ( -5.191 -1.305 -0.203) 5.356 15.935 ( 3.221 2.275 -0.735) 4.011 16.125 ( 1.232 -0.519 2.081) 2.473 16.256 ( -1.763 -0.632 -7.602) 7.830 16.586 ( 15.353 0.381 -16.099) 22.249 16.798 ( -8.079 -3.999 1.790) 9.190 17.474 ( -9.508 -3.265 -2.910) 10.466 17.592 ( 5.569 -14.267 -6.847) 16.776 17.706 ( -3.749 -7.986 5.532) 10.413 17.923 ( 4.074 -8.073 -0.878) 9.085 18.017 ( 5.845 -1.927 0.140) 6.156 18.212 ( 11.010 -5.805 -6.640) 14.107 18.535 ( -7.878 -9.248 7.145) 14.094 18.623 ( -6.209 -3.822 -20.960) 22.192 18.792 ( -9.602 3.447 -3.425) 10.762 18.964 ( -1.183 -1.094 2.558) 3.023 19.294 ( -3.699 -2.989 -7.627) 8.988 19.520 ( 9.407 3.819 -1.845) 10.319 19.689 ( 4.515 2.592 1.595) 5.445 19.840 ( 6.980 6.755 2.874) 10.129 20.101 ( 1.036 -5.651 1.810) 6.024 20.985 ( 3.476 -16.545 4.146) 17.407 21.482 ( -2.236 0.986 3.351) 4.147 21.569 ( -4.497 9.465 -5.308) 11.747 21.845 ( -8.252 -15.795 -3.895) 18.242 22.132 ( -1.878 -4.204 -5.964) 7.535 22.273 ( 1.741 -4.071 -7.033) 8.311 22.365 ( -4.028 1.206 5.142) 6.642 22.493 ( -1.387 -10.469 -0.642) 10.580 22.803 ( 7.141 -0.550 -0.378) 7.172 23.184 ( 14.649 8.475 -6.116) 17.995 23.594 ( -10.069 20.914 -6.865) 24.206 24.201 ( -2.572 20.528 -7.768) 22.099 24.390 ( 16.091 17.477 -11.720) 26.490 25.431 ( -7.919 -2.119 -30.393) 31.479 29.294 ( 2.202 0.529 23.325) 23.434 29.425 ( 0.039 -1.204 22.472) 22.505 30.567 ( 6.174 -7.757 27.427) 29.163 31.642 ( -17.889 -20.221 6.435) 27.754 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.705 ( 29.258 24.334 42.063) 56.723 5.056 ( 34.374 16.412 42.915) 57.381 5.346 ( -28.884 26.010 33.757) 51.482 5.787 ( -33.370 6.135 36.104) 49.545 7.382 ( 7.761 11.048 10.040) 16.826 7.590 ( -9.711 9.909 4.483) 14.580 7.881 ( 21.121 15.515 49.795) 56.271 7.968 ( 14.309 -0.324 -0.723) 14.331 8.347 ( 11.898 -1.565 -7.017) 13.902 8.619 ( -6.431 4.208 -7.193) 10.526 8.724 ( -4.601 10.340 -15.282) 19.016 8.895 ( 3.953 0.062 -11.551) 12.209 9.077 ( -18.697 10.225 7.964) 22.750 9.247 ( -16.264 1.272 -12.961) 20.836 9.707 ( 5.453 -3.400 -6.501) 9.141 9.920 ( -6.831 -7.265 -12.261) 15.804 10.121 ( 9.473 6.093 1.303) 11.339 10.485 ( -11.248 7.068 -9.869) 16.549 10.712 ( 4.957 0.952 2.772) 5.758 10.854 ( -3.692 -10.161 4.273) 11.625 11.264 ( -1.536 -5.450 4.353) 7.142 11.340 ( -6.001 1.211 -1.035) 6.209 11.567 ( 5.639 7.093 4.945) 10.323 11.772 ( -10.292 8.816 1.084) 13.595 12.164 ( 14.676 -6.813 0.268) 16.183 12.456 ( -7.444 -5.752 -0.380) 9.415 12.677 ( 9.077 7.304 -1.810) 11.791 12.839 ( -0.892 -1.432 -8.574) 8.738 12.890 ( -0.172 -0.313 -4.713) 4.726 12.991 ( -12.481 4.759 1.635) 13.457 13.359 ( 14.723 1.104 -7.477) 16.549 13.544 ( -0.207 -9.899 -4.674) 10.949 13.916 ( 0.572 -1.724 -8.917) 9.100 13.940 ( 2.062 1.459 -8.171) 8.553 14.160 ( 0.567 -1.058 2.856) 3.098 14.202 ( -1.547 -0.126 7.028) 7.198 14.276 ( 6.310 -5.168 -2.253) 8.462 14.481 ( -7.815 -7.344 -3.407) 11.253 14.781 ( 8.981 2.318 -10.989) 14.380 14.891 ( 1.279 10.401 -8.371) 13.413 14.989 ( -2.491 4.348 -15.654) 16.436 15.028 ( -3.602 11.233 -5.447) 12.993 15.297 ( 5.667 1.806 -1.395) 6.109 15.371 ( 5.061 3.822 -3.452) 7.221 15.481 ( -7.417 2.704 -2.840) 8.390 15.592 ( -11.361 -0.277 2.746) 11.691 16.060 ( 6.762 -2.854 2.615) 7.791 16.172 ( -2.734 -3.123 -0.433) 4.174 16.276 ( 9.617 6.924 -3.284) 12.297 16.558 ( -13.835 1.876 3.056) 14.292 16.928 ( 15.889 -0.527 -11.231) 19.465 17.239 ( -12.988 -0.656 -5.515) 14.126 17.670 ( 0.733 -11.476 -1.378) 11.582 17.685 ( 1.221 -16.854 -4.498) 17.487 18.017 ( 5.533 -4.975 -4.104) 8.498 18.116 ( 0.685 -0.736 -11.917) 11.959 18.305 ( -5.081 -9.610 2.706) 11.202 18.327 ( -2.633 -13.111 -6.527) 14.881 18.620 ( 3.738 -0.532 -3.737) 5.312 18.705 ( -1.699 -1.909 -4.747) 5.391 18.964 ( 4.318 2.658 4.925) 7.069 19.145 ( -9.414 -5.202 -3.625) 11.350 19.726 ( 7.668 2.819 0.042) 8.170 19.785 ( 2.389 2.188 2.134) 3.879 19.977 ( 5.916 9.253 5.097) 12.108 20.080 ( -3.160 3.056 2.771) 5.196 21.093 ( 6.704 -15.580 1.054) 16.994 21.289 ( -11.659 -8.798 -3.042) 14.920 21.549 ( 1.990 1.500 -3.567) 4.351 21.656 ( -7.896 -6.922 -1.860) 10.664 22.195 ( 5.675 1.974 -2.413) 6.475 22.279 ( -1.740 1.621 -3.965) 4.624 22.346 ( 2.044 -5.053 2.845) 6.149 22.429 ( -4.470 -10.310 0.186) 11.239 22.991 ( 9.578 -0.161 -5.396) 10.994 23.195 ( -9.148 2.760 -7.299) 12.024 23.707 ( 15.342 25.072 -9.056) 30.757 24.015 ( -12.460 23.596 -9.023) 28.168 24.803 ( 19.812 6.846 -18.103) 27.696 25.183 ( -15.245 1.044 -26.003) 30.161 29.353 ( 3.075 -0.221 23.192) 23.396 29.408 ( -1.795 -0.938 22.876) 22.966 30.790 ( 15.112 -9.914 23.589) 29.718 31.194 ( -21.893 -14.400 16.398) 30.913 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( 0.000 33.596 47.834) 58.453 5.012 ( 0.000 43.959 47.109) 64.433 6.528 ( 0.000 22.801 16.398) 28.085 7.001 ( 0.000 8.627 9.678) 12.965 7.454 ( 0.000 26.616 17.808) 32.023 7.567 ( 0.000 28.785 55.426) 62.456 7.802 ( 0.000 16.526 25.212) 30.146 7.968 ( 0.000 -9.861 2.828) 10.259 8.241 ( 0.000 6.503 -5.266) 8.368 8.389 ( 0.000 -5.453 5.520) 7.759 8.763 ( 0.000 -0.863 -13.995) 14.022 9.091 ( 0.000 6.793 -17.070) 18.372 9.399 ( 0.000 10.825 -8.104) 13.523 9.584 ( 0.000 14.356 -16.259) 21.690 9.893 ( 0.000 -0.281 -19.752) 19.754 10.094 ( 0.000 4.774 -27.047) 27.465 10.122 ( 0.000 -3.537 0.025) 3.537 10.517 ( 0.000 -2.225 -0.431) 2.267 10.700 ( 0.000 -5.990 4.619) 7.564 11.153 ( 0.000 -2.967 -0.209) 2.974 11.354 ( 0.000 0.972 3.099) 3.248 11.416 ( 0.000 8.562 12.891) 15.476 11.809 ( 0.000 -3.247 -0.674) 3.316 11.986 ( 0.000 -4.153 -5.328) 6.755 12.179 ( 0.000 -5.417 -8.579) 10.146 12.257 ( 0.000 6.840 -7.390) 10.070 12.373 ( 0.000 -0.152 3.155) 3.159 12.801 ( 0.000 5.608 2.494) 6.138 12.890 ( 0.000 2.349 -2.190) 3.212 12.997 ( 0.000 9.932 2.236) 10.180 13.325 ( 0.000 -12.837 -13.606) 18.707 13.403 ( 0.000 7.308 -11.685) 13.782 13.642 ( 0.000 -2.190 11.911) 12.111 13.870 ( 0.000 -0.492 -0.551) 0.739 14.151 ( 0.000 -16.944 -4.364) 17.497 14.153 ( 0.000 0.469 1.190) 1.279 14.223 ( 0.000 -9.457 -1.388) 9.558 14.545 ( 0.000 6.592 2.000) 6.888 14.566 ( 0.000 6.071 -8.050) 10.083 14.767 ( 0.000 -4.935 0.461) 4.956 15.068 ( 0.000 10.253 -2.500) 10.553 15.330 ( 0.000 0.232 -14.550) 14.552 15.437 ( 0.000 12.818 -9.619) 16.026 15.655 ( 0.000 16.294 8.002) 18.153 15.781 ( 0.000 -1.411 -1.524) 2.076 15.884 ( 0.000 0.876 0.818) 1.198 15.957 ( 0.000 8.171 -15.357) 17.396 16.066 ( 0.000 -2.116 11.232) 11.429 16.298 ( 0.000 -4.761 -17.741) 18.369 16.399 ( 0.000 6.293 -12.687) 14.162 16.736 ( 0.000 -7.837 -2.206) 8.141 17.170 ( 0.000 -19.242 8.168) 20.904 17.249 ( 0.000 -17.105 0.006) 17.105 17.548 ( 0.000 -15.012 5.548) 16.004 17.828 ( 0.000 -5.534 1.907) 5.853 17.947 ( 0.000 -8.104 -5.223) 9.641 18.018 ( 0.000 4.447 -4.630) 6.420 18.483 ( 0.000 -1.638 5.294) 5.542 18.587 ( 0.000 -7.363 -7.973) 10.853 18.714 ( 0.000 -11.926 -12.527) 17.296 19.075 ( 0.000 0.324 -1.721) 1.751 19.289 ( 0.000 2.384 -7.423) 7.797 19.551 ( 0.000 8.872 -2.208) 9.143 19.745 ( 0.000 2.058 0.598) 2.143 19.867 ( 0.000 -7.977 1.799) 8.177 20.001 ( 0.000 19.683 0.296) 19.685 20.667 ( 0.000 -10.284 2.691) 10.630 21.459 ( 0.000 -19.052 -0.856) 19.071 21.558 ( 0.000 -7.309 0.519) 7.327 21.847 ( 0.000 -12.744 -3.442) 13.201 21.880 ( 0.000 9.711 0.373) 9.718 22.188 ( 0.000 -3.324 0.534) 3.367 22.375 ( 0.000 -1.782 -3.818) 4.213 22.490 ( 0.000 0.418 -2.501) 2.536 22.751 ( 0.000 -4.618 9.982) 10.998 23.049 ( 0.000 -1.400 -10.558) 10.650 24.097 ( 0.000 18.730 -7.724) 20.260 24.623 ( 0.000 30.737 -19.268) 36.277 24.865 ( 0.000 25.764 -14.652) 29.639 25.446 ( 0.000 -2.962 -32.850) 32.984 29.306 ( 0.000 3.166 23.334) 23.548 29.400 ( 0.000 -0.471 22.799) 22.804 30.302 ( 0.000 -12.378 27.612) 30.259 31.260 ( 0.000 -32.509 11.742) 34.564 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.706 ( 16.461 30.548 44.589) 56.501 5.182 ( 15.032 40.266 46.005) 62.958 6.392 ( -12.042 21.998 23.420) 34.313 6.617 ( -29.562 16.866 19.949) 39.451 7.585 ( 3.323 10.532 6.808) 12.974 7.706 ( 15.815 25.461 32.091) 43.912 7.901 ( 6.863 23.198 34.882) 42.451 8.022 ( 1.887 -5.593 -1.485) 6.087 8.103 ( -2.773 0.122 4.719) 5.475 8.442 ( 4.473 -5.992 -5.291) 9.160 8.886 ( 5.043 -0.005 -7.398) 8.953 9.056 ( -2.521 10.756 -13.643) 17.555 9.385 ( -1.074 8.994 -11.489) 14.630 9.650 ( 4.336 11.677 -14.998) 19.496 9.764 ( -4.596 9.562 -17.876) 20.787 10.030 ( -7.769 -0.041 -5.251) 9.377 10.263 ( 5.074 -3.113 -10.403) 11.986 10.537 ( 2.580 -4.506 2.518) 5.771 10.641 ( -12.413 6.020 4.809) 14.610 10.984 ( -5.888 9.211 14.275) 17.980 11.232 ( -4.661 -2.669 -1.815) 5.669 11.425 ( 2.536 2.353 -0.593) 3.510 11.697 ( -9.176 -6.524 -2.830) 11.609 11.898 ( -4.605 1.508 -5.039) 6.991 12.117 ( -2.543 3.831 -1.824) 4.947 12.335 ( 4.930 -6.308 -9.581) 12.486 12.599 ( 7.920 -1.074 -9.806) 12.651 12.858 ( -0.602 5.280 -6.187) 8.156 12.947 ( -2.065 5.044 4.046) 6.788 12.985 ( 13.692 -3.943 2.819) 14.524 13.210 ( -8.683 -8.631 -5.308) 13.344 13.484 ( 2.344 10.668 -10.383) 15.070 13.730 ( 10.937 -5.580 5.559) 13.478 13.892 ( 1.570 -0.772 -2.049) 2.694 14.123 ( -4.518 -6.876 -3.040) 8.771 14.142 ( -0.818 -8.991 -0.161) 9.029 14.180 ( -0.522 -3.655 3.234) 4.908 14.551 ( -2.775 2.228 -10.142) 10.748 14.611 ( 6.248 5.837 0.745) 8.583 14.852 ( 7.350 -3.227 -0.613) 8.050 15.114 ( 2.273 7.563 -7.774) 11.082 15.284 ( -3.606 2.217 -8.081) 9.123 15.390 ( -2.849 11.698 -7.577) 14.225 15.608 ( -4.664 12.294 0.212) 13.151 15.748 ( -8.334 8.063 -8.044) 14.113 15.779 ( -3.337 -0.616 0.833) 3.494 15.959 ( -0.128 1.263 7.946) 8.047 16.091 ( 2.865 -1.283 -0.928) 3.274 16.293 ( 2.209 2.586 -14.789) 15.175 16.564 ( 10.778 -1.861 -3.905) 11.613 16.701 ( -1.898 -4.872 -5.813) 7.819 17.204 ( 1.913 -19.842 0.575) 19.942 17.275 ( 1.121 -15.242 4.756) 16.006 17.481 ( -4.137 -14.036 5.155) 15.515 17.887 ( -2.051 1.746 -5.592) 6.207 17.927 ( 5.783 -6.730 -2.010) 9.098 18.054 ( 2.266 -8.881 -6.094) 11.006 18.376 ( -10.417 -3.617 -3.058) 11.443 18.549 ( -0.780 -3.973 -9.359) 10.198 18.730 ( -1.773 -14.143 1.032) 14.291 18.901 ( -8.074 1.763 -3.792) 9.092 19.271 ( -4.182 1.157 -3.095) 5.330 19.645 ( 6.095 3.984 -0.446) 7.295 19.811 ( 5.746 9.462 -2.463) 11.341 19.918 ( 6.886 -7.745 -0.995) 10.411 20.103 ( 5.794 16.473 3.038) 17.725 20.703 ( 3.765 -10.432 3.765) 11.713 21.457 ( -1.418 -21.064 -1.360) 21.156 21.532 ( -5.462 2.469 6.798) 9.063 21.685 ( -10.034 -1.252 -10.849) 14.831 21.942 ( 5.261 -5.043 1.955) 7.545 22.197 ( 0.890 -3.581 0.873) 3.791 22.342 ( -2.725 -0.954 -3.850) 4.812 22.441 ( -4.429 0.440 -1.587) 4.725 22.768 ( 6.092 -5.082 3.091) 8.514 23.204 ( 6.665 -5.896 -4.937) 10.176 24.091 ( 2.233 25.576 -11.681) 28.206 24.679 ( 0.528 25.917 -16.689) 30.830 24.847 ( 1.797 23.302 -17.410) 29.143 25.391 ( -5.186 -1.238 -31.885) 32.327 29.322 ( 1.422 2.623 23.318) 23.508 29.404 ( 0.159 -0.384 22.891) 22.894 30.349 ( 4.731 -13.175 26.776) 30.215 31.121 ( -12.097 -29.129 14.467) 34.700 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.204 ( 29.539 24.608 37.175) 53.480 5.587 ( 21.407 31.943 42.176) 57.074 5.909 ( -34.687 21.168 29.139) 50.004 6.046 ( -19.933 24.210 35.058) 47.037 7.660 ( 5.341 11.928 4.890) 13.954 7.820 ( -8.766 8.514 2.259) 12.428 7.968 ( 7.561 -0.955 -4.169) 8.686 8.062 ( -0.512 -4.620 -1.523) 4.891 8.427 ( 23.013 11.731 28.220) 38.256 8.579 ( 6.101 3.225 5.006) 8.526 8.937 ( 3.213 12.312 -5.819) 13.992 9.040 ( 5.203 7.377 -8.023) 12.078 9.286 ( -9.165 5.968 -6.180) 12.562 9.449 ( -28.879 20.772 19.726) 40.677 9.738 ( 3.296 9.513 -10.204) 14.335 9.858 ( -6.873 4.583 -12.630) 15.091 10.284 ( 9.912 5.812 -5.106) 12.574 10.489 ( -5.442 -5.001 -0.929) 7.449 10.673 ( 8.676 0.185 0.199) 8.681 10.866 ( -8.377 10.921 -1.380) 13.833 11.229 ( 3.752 2.031 -2.409) 4.899 11.404 ( -10.250 1.613 -3.256) 10.875 11.628 ( 9.334 -0.617 -1.590) 9.488 11.826 ( -5.965 -1.227 -7.261) 9.476 12.108 ( 6.066 -0.120 1.769) 6.320 12.320 ( -8.396 -7.298 -1.490) 11.224 12.723 ( 5.993 -3.439 -16.097) 17.517 12.821 ( -2.553 -2.025 -16.339) 16.661 12.925 ( 0.993 2.959 0.220) 3.129 13.016 ( -7.844 -1.944 1.131) 8.160 13.304 ( 12.537 -5.325 1.032) 13.660 13.470 ( -3.410 2.046 -2.742) 4.831 13.913 ( 1.560 -4.241 -5.526) 7.138 13.973 ( -1.483 -0.228 -9.117) 9.240 14.084 ( 9.862 -4.512 -1.041) 10.895 14.143 ( 0.947 -1.659 5.460) 5.785 14.190 ( 2.365 -1.195 6.860) 7.353 14.408 ( -10.784 -0.131 -9.634) 14.461 14.808 ( 11.360 0.432 -6.246) 12.971 15.012 ( -0.660 -1.541 -13.476) 13.580 15.068 ( 1.590 4.282 -2.450) 5.183 15.224 ( -5.140 5.915 2.512) 8.229 15.372 ( 2.983 8.539 -2.083) 9.282 15.505 ( -5.245 5.691 -2.403) 8.104 15.575 ( -4.665 7.596 -7.798) 11.844 15.636 ( -6.858 5.533 -4.166) 9.747 16.032 ( 5.239 0.293 5.436) 7.555 16.115 ( -1.692 -1.970 1.144) 2.838 16.413 ( 8.427 5.784 -5.442) 11.579 16.582 ( -6.055 0.945 3.541) 7.078 16.864 ( 12.870 -7.392 -8.526) 17.116 17.116 ( -9.748 -12.927 -2.532) 16.387 17.327 ( 3.516 -15.913 5.838) 17.311 17.407 ( -3.615 -13.198 2.880) 13.984 17.915 ( 5.849 -3.079 -3.716) 7.582 18.034 ( 2.884 -8.444 -10.067) 13.452 18.071 ( -2.252 -7.495 -11.620) 14.010 18.156 ( -8.090 -4.318 -12.232) 15.288 18.520 ( 0.652 -8.938 -0.678) 8.987 18.609 ( -6.264 -10.395 0.599) 12.151 18.931 ( 7.314 -1.687 2.858) 8.032 19.116 ( -9.093 1.326 0.478) 9.202 19.774 ( 6.321 -1.523 2.528) 6.976 19.879 ( -2.152 0.634 0.608) 2.324 20.107 ( 9.246 5.904 -3.696) 11.576 20.197 ( 1.520 12.402 -0.073) 12.495 20.849 ( 11.160 -7.162 2.141) 13.432 21.195 ( -19.726 -0.024 0.471) 19.731 21.462 ( 2.684 -9.673 -0.363) 10.044 21.559 ( -5.179 -0.652 -0.802) 5.281 22.104 ( 8.135 -8.133 3.468) 12.015 22.212 ( -0.960 -6.610 3.670) 7.621 22.291 ( -0.698 0.970 -6.008) 6.125 22.344 ( -4.370 0.101 -3.147) 5.386 22.970 ( 11.293 -4.988 -2.342) 12.566 23.187 ( -7.476 -5.875 -3.459) 10.118 24.261 ( 12.481 27.648 -14.359) 33.561 24.533 ( -11.579 26.172 -14.309) 31.996 25.013 ( 10.623 12.602 -23.588) 28.776 25.233 ( -9.396 4.002 -28.683) 30.446 29.360 ( 2.003 1.369 23.270) 23.396 29.396 ( -1.094 0.173 23.117) 23.143 30.517 ( 11.204 -16.233 24.175) 31.200 30.810 ( -15.562 -22.141 19.786) 33.524 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.305 ( 0.000 42.045 39.110) 57.423 5.793 ( 0.000 33.291 45.976) 56.764 6.857 ( 0.000 11.199 8.481) 14.048 7.183 ( 0.000 8.156 2.615) 8.565 7.579 ( 0.000 -21.027 14.053) 25.291 7.727 ( 0.000 -15.081 8.762) 17.442 8.124 ( 0.000 -5.089 3.804) 6.354 8.209 ( 0.000 24.521 17.934) 30.380 8.300 ( 0.000 10.794 15.140) 18.593 8.583 ( 0.000 32.400 33.898) 46.892 8.761 ( 0.000 19.253 19.164) 27.165 9.318 ( 0.000 11.191 -13.361) 17.429 9.479 ( 0.000 -7.625 -11.969) 14.191 9.878 ( 0.000 3.538 -29.363) 29.575 9.957 ( 0.000 10.226 -18.372) 21.026 10.035 ( 0.000 9.135 -7.631) 11.903 10.242 ( 0.000 8.089 -3.073) 8.653 10.612 ( 0.000 -0.825 -1.171) 1.432 10.755 ( 0.000 12.693 -9.243) 15.701 11.106 ( 0.000 0.017 -3.747) 3.747 11.378 ( 0.000 0.692 -3.197) 3.271 11.635 ( 0.000 9.474 3.071) 9.960 11.705 ( 0.000 -3.188 -5.013) 5.941 11.899 ( 0.000 2.092 -6.335) 6.672 11.983 ( 0.000 -15.211 -7.912) 17.145 12.347 ( 0.000 -6.893 10.386) 12.465 12.436 ( 0.000 9.026 -4.674) 10.165 12.870 ( 0.000 0.412 -8.319) 8.329 12.918 ( 0.000 0.836 8.328) 8.370 13.057 ( 0.000 -6.646 -10.200) 12.174 13.158 ( 0.000 2.462 -14.690) 14.895 13.364 ( 0.000 -9.158 5.482) 10.673 13.574 ( 0.000 -25.253 -13.567) 28.667 13.651 ( 0.000 0.505 -10.056) 10.069 14.039 ( 0.000 2.699 4.436) 5.192 14.045 ( 0.000 -6.031 -0.830) 6.088 14.267 ( 0.000 9.070 4.137) 9.969 14.653 ( 0.000 4.588 -3.138) 5.559 14.660 ( 0.000 -1.135 2.208) 2.482 14.809 ( 0.000 13.111 0.612) 13.125 15.164 ( 0.000 -4.280 -10.022) 10.897 15.374 ( 0.000 5.955 -0.219) 5.959 15.649 ( 0.000 -8.562 -4.534) 9.689 15.697 ( 0.000 12.365 -5.382) 13.486 15.854 ( 0.000 6.288 5.624) 8.436 15.865 ( 0.000 -2.639 1.249) 2.920 16.064 ( 0.000 -0.814 10.425) 10.457 16.099 ( 0.000 0.084 -13.550) 13.550 16.201 ( 0.000 -2.634 -10.255) 10.588 16.591 ( 0.000 -9.629 -17.974) 20.391 16.624 ( 0.000 16.761 4.780) 17.429 16.874 ( 0.000 -5.575 12.112) 13.333 16.935 ( 0.000 -13.638 -1.138) 13.686 17.286 ( 0.000 -7.988 0.549) 8.006 17.655 ( 0.000 -9.813 9.346) 13.552 17.767 ( 0.000 -8.213 -12.122) 14.642 18.023 ( 0.000 -4.579 -3.957) 6.052 18.359 ( 0.000 -21.429 -8.345) 22.996 18.487 ( 0.000 0.551 8.862) 8.879 18.513 ( 0.000 -1.805 -6.919) 7.150 19.129 ( 0.000 5.661 -6.922) 8.942 19.386 ( 0.000 6.075 -7.000) 9.268 19.682 ( 0.000 2.343 -0.361) 2.370 19.716 ( 0.000 -1.606 1.021) 1.903 19.899 ( 0.000 8.587 1.482) 8.714 20.409 ( 0.000 19.064 1.341) 19.111 20.552 ( 0.000 -1.336 0.693) 1.505 20.971 ( 0.000 -21.999 -3.860) 22.335 21.380 ( 0.000 -11.352 -2.967) 11.733 21.804 ( 0.000 4.839 8.447) 9.735 21.952 ( 0.000 -5.145 -9.486) 10.791 22.130 ( 0.000 -1.313 18.689) 18.735 22.355 ( 0.000 -0.350 -1.493) 1.533 22.478 ( 0.000 -2.777 -5.263) 5.951 22.625 ( 0.000 -4.628 -0.096) 4.629 22.929 ( 0.000 -8.282 -11.906) 14.503 24.516 ( 0.000 20.468 -15.924) 25.933 25.082 ( 0.000 10.877 -21.442) 24.043 25.319 ( 0.000 18.329 -18.064) 25.734 25.450 ( 0.000 5.576 -32.130) 32.611 29.413 ( 0.000 7.835 23.278) 24.562 29.420 ( 0.000 2.838 23.423) 23.594 30.028 ( 0.000 -13.990 26.396) 29.874 30.610 ( 0.000 -30.443 18.962) 35.865 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.412 ( 10.328 38.423 36.733) 54.150 5.909 ( 10.308 31.361 44.674) 55.548 6.708 ( -12.915 13.568 16.665) 25.072 6.986 ( -19.432 13.310 9.461) 25.383 7.549 ( 0.644 -16.722 11.114) 20.088 7.756 ( 2.553 -19.025 7.557) 20.629 7.952 ( -10.860 -4.114 8.126) 14.174 8.070 ( -9.915 -4.445 8.383) 13.724 8.469 ( 11.821 26.630 6.689) 29.893 8.740 ( 12.254 27.176 31.706) 43.520 8.924 ( 12.566 23.362 19.158) 32.722 9.281 ( -3.784 9.906 -17.963) 20.860 9.485 ( -0.694 -3.896 -11.288) 11.962 9.892 ( -0.721 9.209 -22.147) 23.996 10.039 ( 9.112 16.516 -16.640) 25.154 10.094 ( 1.436 4.076 -5.169) 6.738 10.242 ( 1.363 9.142 -4.267) 10.181 10.511 ( -3.720 0.546 2.081) 4.297 10.854 ( 2.094 8.191 -10.381) 13.388 11.209 ( 6.948 3.097 -0.379) 7.616 11.252 ( -9.239 8.583 8.801) 15.378 11.495 ( -5.886 7.401 2.385) 9.753 11.611 ( -9.158 2.059 -6.225) 11.263 11.840 ( -0.336 -6.028 -7.185) 9.385 12.068 ( 3.400 -10.552 -7.917) 13.623 12.260 ( -5.866 2.228 -5.070) 8.068 12.521 ( 3.024 -9.920 -6.853) 12.431 12.853 ( -0.952 -3.166 -3.339) 4.699 12.977 ( -5.035 -7.607 -5.681) 10.747 13.002 ( 1.860 4.550 -6.686) 8.298 13.079 ( -1.381 -0.811 -0.130) 1.607 13.441 ( 5.067 -18.865 -13.479) 23.733 13.613 ( -1.007 -1.035 -1.230) 1.897 13.770 ( 14.511 -8.652 -6.017) 17.934 13.998 ( -3.686 -4.039 -0.932) 5.547 14.085 ( 3.481 2.866 3.871) 5.943 14.238 ( -1.875 7.273 5.305) 9.195 14.623 ( -3.881 5.233 -7.190) 9.703 14.730 ( 3.811 -0.903 1.325) 4.134 14.843 ( 5.199 7.606 -0.777) 9.246 15.128 ( -3.752 -4.688 -11.095) 12.616 15.369 ( -0.815 5.657 3.195) 6.548 15.624 ( -1.034 3.044 -5.117) 6.043 15.706 ( -2.348 4.124 -1.054) 4.861 15.773 ( -4.234 3.715 0.222) 5.637 15.847 ( -3.858 -0.022 -0.581) 3.901 16.021 ( -0.252 4.413 5.628) 7.156 16.120 ( 1.210 0.277 -6.290) 6.411 16.279 ( 6.069 -4.095 -11.559) 13.683 16.581 ( -1.898 -7.105 -14.583) 16.333 16.667 ( 3.555 14.724 5.497) 16.113 16.841 ( 1.418 -14.917 6.694) 16.412 16.990 ( 1.313 -12.636 4.718) 13.552 17.252 ( -2.143 -5.061 4.579) 7.154 17.712 ( 3.846 -12.173 4.817) 13.644 17.836 ( 5.787 -4.044 -15.422) 16.961 18.007 ( -0.752 -0.460 -3.613) 3.719 18.275 ( -7.180 -19.986 -5.843) 22.026 18.404 ( -8.706 -0.978 -6.831) 11.109 18.481 ( -1.482 -4.796 6.514) 8.223 19.026 ( -7.372 9.168 -6.153) 13.276 19.281 ( -5.643 -0.440 -3.114) 6.460 19.567 ( -5.356 -8.549 0.889) 10.128 19.815 ( 1.834 -3.146 -0.739) 3.715 20.085 ( 14.573 14.120 -4.806) 20.853 20.487 ( 3.845 20.017 2.580) 20.546 20.578 ( 4.869 -2.183 2.431) 5.864 21.062 ( 8.769 -14.670 -0.700) 17.105 21.496 ( 8.369 -8.766 -2.788) 12.436 21.644 ( -14.185 2.631 4.609) 15.145 21.937 ( -1.305 -0.838 -2.841) 3.237 22.119 ( -1.036 -3.805 14.433) 14.962 22.340 ( -1.157 0.603 -3.223) 3.477 22.462 ( -4.402 1.905 -10.247) 11.314 22.601 ( 4.143 -9.684 3.484) 11.095 23.004 ( 2.778 -12.352 -8.116) 15.039 24.578 ( 6.057 21.606 -17.120) 28.225 25.111 ( 2.084 11.739 -22.004) 25.027 25.248 ( -5.872 16.400 -19.287) 25.989 25.423 ( -2.648 6.041 -30.821) 31.519 29.413 ( 0.265 5.879 23.352) 24.082 29.432 ( 0.624 4.443 23.431) 23.857 30.059 ( 3.033 -14.852 25.891) 30.002 30.530 ( -7.000 -28.033 20.008) 35.145 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.751 ( 21.281 29.464 30.658) 47.549 6.173 ( 7.089 24.398 35.477) 43.636 6.310 ( -17.141 22.259 28.573) 40.071 6.559 ( -17.469 21.366 27.642) 39.061 7.628 ( 4.432 -15.037 4.539) 16.321 7.711 ( -5.270 -15.753 6.863) 17.973 7.813 ( -0.018 -14.364 8.493) 16.687 7.904 ( -6.519 -11.561 3.413) 13.705 8.712 ( 11.294 17.028 -2.961) 20.646 8.901 ( -2.794 17.092 4.379) 17.864 9.187 ( 8.645 12.609 -4.550) 15.951 9.368 ( 5.033 23.405 7.839) 25.190 9.425 ( 8.852 11.642 1.882) 14.746 9.823 ( -10.245 12.054 -6.357) 17.049 10.014 ( -2.057 14.254 -5.612) 15.457 10.079 ( -7.066 19.198 -5.295) 21.131 10.375 ( 6.480 6.771 -3.958) 10.173 10.495 ( -2.326 6.984 8.924) 11.568 10.851 ( 6.504 12.208 -3.040) 14.162 11.060 ( -5.402 3.311 0.492) 6.355 11.303 ( -0.868 5.041 1.421) 5.308 11.379 ( -8.531 0.158 -6.491) 10.721 11.645 ( 12.696 4.462 -7.094) 15.212 11.835 ( -3.366 2.244 -12.068) 12.728 12.052 ( 0.952 -5.660 0.682) 5.779 12.174 ( -4.250 -6.768 -1.821) 8.197 12.551 ( 1.552 -13.082 -18.776) 22.937 12.675 ( -10.949 -12.208 -18.798) 24.946 12.968 ( 1.328 -1.912 5.172) 5.672 12.985 ( -0.545 0.857 -2.404) 2.610 13.206 ( 9.711 -6.528 -6.711) 13.489 13.408 ( -7.648 -13.153 -9.607) 17.994 13.719 ( 9.039 -3.766 -4.625) 10.830 13.890 ( -6.522 -2.557 -3.025) 7.631 14.087 ( 11.317 -5.663 5.878) 13.953 14.163 ( 2.269 -0.813 3.387) 4.157 14.231 ( 4.183 9.782 3.031) 11.062 14.458 ( -11.327 5.247 -7.885) 14.765 14.803 ( 5.131 -2.255 -7.819) 9.621 14.946 ( -4.876 -5.076 -11.959) 13.877 15.089 ( 8.003 2.033 3.722) 9.058 15.294 ( -7.553 2.797 5.981) 10.032 15.609 ( -1.870 10.623 0.723) 10.810 15.615 ( -1.729 2.601 -0.968) 3.270 15.715 ( -0.280 6.054 -5.673) 8.301 15.767 ( -3.338 7.987 -9.320) 12.720 16.064 ( 2.898 3.031 5.028) 6.548 16.115 ( -1.619 2.653 0.557) 3.158 16.427 ( 6.809 -6.610 -11.640) 15.018 16.535 ( -2.975 -10.863 -8.142) 13.898 16.752 ( 4.691 3.221 1.844) 5.981 16.851 ( -2.979 -10.232 -1.390) 10.747 17.052 ( 6.227 -10.472 12.707) 17.604 17.186 ( -4.888 -5.189 10.369) 12.583 17.814 ( 6.200 -10.366 -1.013) 12.121 17.928 ( 0.963 -0.826 -6.267) 6.395 17.995 ( -1.267 -3.637 -19.741) 20.113 18.106 ( -7.783 -0.466 -7.811) 11.037 18.273 ( 1.070 -12.924 -0.022) 12.969 18.395 ( -6.645 -7.455 1.742) 10.138 18.964 ( 3.049 4.656 -0.990) 5.653 19.116 ( -9.444 -1.106 0.614) 9.529 19.584 ( 6.307 -14.914 -1.894) 16.303 19.746 ( -7.160 -12.237 -2.251) 14.355 20.363 ( 9.762 15.419 -3.376) 18.559 20.496 ( -3.026 17.401 0.643) 17.674 20.822 ( 17.712 2.862 1.326) 17.991 21.246 ( -17.575 -0.216 1.162) 17.615 21.328 ( 10.265 1.271 4.197) 11.162 21.554 ( -5.765 0.419 1.856) 6.071 21.966 ( 5.306 -5.877 3.384) 8.611 22.077 ( -3.532 -7.110 6.865) 10.495 22.324 ( 0.143 2.132 -5.276) 5.692 22.363 ( -3.604 2.032 -5.808) 7.131 22.772 ( 10.090 -13.099 -1.828) 16.635 22.964 ( -6.483 -14.665 -4.690) 16.706 24.770 ( 11.381 21.737 -18.723) 30.863 25.018 ( -10.802 20.554 -19.231) 30.150 25.232 ( 4.554 6.909 -25.238) 26.560 25.340 ( -4.937 6.361 -28.427) 29.546 29.425 ( 0.744 5.106 23.451) 24.012 29.437 ( -0.241 4.646 23.493) 23.950 30.165 ( 7.045 -17.739 24.426) 30.999 30.346 ( -9.418 -22.698 22.261) 33.158 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.191 ( 0.000 44.259 30.650) 53.835 6.399 ( 0.000 27.116 38.896) 47.415 6.889 ( 0.000 -14.924 19.652) 24.676 7.065 ( 0.000 -36.696 18.064) 40.901 7.272 ( 0.000 -1.419 8.608) 8.724 7.324 ( 0.000 -2.538 1.883) 3.160 8.064 ( 0.000 -0.839 9.169) 9.208 8.121 ( 0.000 -5.968 16.479) 17.527 8.807 ( 0.000 13.257 0.906) 13.288 9.038 ( 0.000 28.321 9.973) 30.026 9.169 ( 0.000 -14.908 -3.676) 15.354 9.422 ( 0.000 -2.525 -10.879) 11.168 9.653 ( 0.000 29.709 20.749) 36.238 9.841 ( 0.000 -2.367 -25.498) 25.607 10.212 ( 0.000 12.218 12.321) 17.352 10.318 ( 0.000 8.600 -2.143) 8.863 10.359 ( 0.000 11.864 -14.664) 18.863 10.679 ( 0.000 -15.908 -10.495) 19.058 10.757 ( 0.000 16.099 -6.830) 17.488 11.219 ( 0.000 6.470 -7.360) 9.800 11.347 ( 0.000 -3.922 -10.822) 11.510 11.397 ( 0.000 -35.938 8.786) 36.996 11.773 ( 0.000 7.010 -1.274) 7.125 11.843 ( 0.000 5.067 3.089) 5.935 12.097 ( 0.000 10.284 -0.659) 10.305 12.150 ( 0.000 -4.555 -6.031) 7.558 12.576 ( 0.000 4.386 -7.110) 8.354 12.802 ( 0.000 -16.141 -9.469) 18.714 12.877 ( 0.000 4.406 -19.004) 19.508 13.003 ( 0.000 1.974 -1.434) 2.439 13.116 ( 0.000 -9.379 -22.843) 24.693 13.179 ( 0.000 -7.893 0.778) 7.931 13.348 ( 0.000 8.575 -4.882) 9.867 13.555 ( 0.000 -9.156 -9.205) 12.984 13.980 ( 0.000 -0.179 3.208) 3.213 14.022 ( 0.000 -3.246 5.094) 6.041 14.486 ( 0.000 10.581 3.345) 11.098 14.632 ( 0.000 -3.112 5.561) 6.372 14.788 ( 0.000 8.740 -5.115) 10.127 14.994 ( 0.000 -10.513 -6.056) 12.132 15.091 ( 0.000 13.498 -3.388) 13.916 15.335 ( 0.000 -10.137 -1.743) 10.285 15.617 ( 0.000 5.760 2.410) 6.244 15.758 ( 0.000 -6.307 7.368) 9.698 15.959 ( 0.000 2.060 2.936) 3.587 15.970 ( 0.000 5.575 -5.649) 7.937 15.988 ( 0.000 4.541 -2.206) 5.049 16.086 ( 0.000 2.564 -12.277) 12.542 16.191 ( 0.000 -1.890 -0.209) 1.902 16.300 ( 0.000 -15.536 -6.438) 16.817 16.747 ( 0.000 -3.797 1.383) 4.041 16.754 ( 0.000 -2.056 11.820) 11.998 17.110 ( 0.000 18.722 -1.737) 18.802 17.250 ( 0.000 1.745 4.994) 5.291 17.522 ( 0.000 -0.708 9.175) 9.202 17.638 ( 0.000 -5.413 -8.024) 9.679 17.866 ( 0.000 -8.299 -15.828) 17.872 17.919 ( 0.000 -18.021 -14.135) 22.903 18.485 ( 0.000 -0.603 1.630) 1.738 18.488 ( 0.000 -0.423 7.634) 7.646 19.298 ( 0.000 10.101 -6.959) 12.266 19.458 ( 0.000 -2.211 -9.017) 9.284 19.659 ( 0.000 -1.041 5.147) 5.251 19.691 ( 0.000 -1.983 3.677) 4.178 20.177 ( 0.000 18.369 -1.826) 18.460 20.566 ( 0.000 -16.768 -2.003) 16.888 20.585 ( 0.000 3.626 0.011) 3.626 20.649 ( 0.000 -1.238 0.324) 1.280 21.339 ( 0.000 11.562 -4.053) 12.252 21.694 ( 0.000 -18.246 -6.703) 19.438 21.933 ( 0.000 7.091 12.184) 14.097 22.070 ( 0.000 -5.618 19.443) 20.238 22.360 ( 0.000 0.825 1.378) 1.606 22.395 ( 0.000 -3.078 1.618) 3.477 22.639 ( 0.000 4.415 -15.846) 16.450 22.764 ( 0.000 -7.500 -15.535) 17.250 24.875 ( 0.000 14.394 -20.419) 24.982 25.089 ( 0.000 -6.511 -22.979) 23.884 25.583 ( 0.000 7.252 -21.823) 22.997 25.603 ( 0.000 5.053 -26.190) 26.673 29.525 ( 0.000 7.458 24.018) 25.149 29.618 ( 0.000 8.930 22.997) 24.670 29.782 ( 0.000 -5.986 25.294) 25.993 30.061 ( 0.000 -23.124 22.294) 32.121 ======================= Grid point 156 (59/90) ======================= q-point: ( 0.20 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.223 ( 3.538 40.263 28.563) 49.492 6.478 ( 6.759 24.712 36.655) 44.721 6.895 ( -3.107 -4.140 12.859) 13.862 7.024 ( -0.989 -23.416 15.406) 28.047 7.162 ( -10.331 -5.987 12.461) 17.258 7.274 ( -1.004 -13.865 15.074) 20.505 7.896 ( -14.664 -2.529 17.658) 23.092 7.926 ( -14.011 -5.762 14.326) 20.851 8.835 ( 4.658 14.868 -1.196) 15.626 9.138 ( 4.468 -0.286 -5.172) 6.840 9.253 ( 5.662 3.348 -4.805) 8.145 9.397 ( -3.412 0.356 -16.388) 16.744 9.731 ( 10.293 27.404 4.523) 29.621 10.085 ( 16.143 3.233 -0.742) 16.480 10.240 ( 5.902 8.559 1.457) 10.498 10.308 ( 2.317 6.139 2.751) 7.115 10.460 ( 4.766 16.810 -7.210) 18.901 10.613 ( -10.077 12.835 -6.548) 17.583 10.813 ( 9.273 -8.630 -7.916) 14.937 11.140 ( -9.534 -13.717 -0.252) 16.707 11.353 ( 7.722 2.704 -6.790) 10.633 11.533 ( 5.119 -15.513 3.528) 16.712 11.758 ( -2.206 7.405 6.199) 9.906 11.863 ( 1.047 5.339 1.250) 5.582 11.916 ( -7.758 8.979 -4.337) 12.634 12.210 ( 0.505 -12.321 -6.779) 14.072 12.388 ( -12.922 7.809 -9.853) 18.029 12.670 ( -11.956 -16.739 -12.676) 24.163 12.893 ( 0.764 1.440 -17.180) 17.257 12.984 ( -3.299 -7.221 -10.981) 13.550 13.078 ( -0.128 3.211 -2.271) 3.935 13.172 ( -0.583 -6.582 -13.693) 15.204 13.569 ( 11.027 0.598 -0.912) 11.080 13.647 ( 11.765 -5.562 -8.491) 15.538 13.977 ( -0.370 2.121 4.066) 4.601 14.057 ( 2.356 -4.494 5.105) 7.198 14.442 ( -2.581 11.133 1.953) 11.594 14.638 ( 0.216 -7.351 -1.006) 7.422 14.762 ( -3.441 8.211 -2.222) 9.176 14.924 ( -4.097 -5.856 -4.837) 8.630 15.141 ( 2.408 10.634 -3.775) 11.538 15.373 ( 2.946 -8.908 1.501) 9.502 15.567 ( -4.441 3.780 1.112) 5.937 15.725 ( -4.236 -8.715 4.299) 10.601 15.894 ( -0.572 8.177 1.090) 8.269 15.955 ( 0.571 9.117 -9.794) 13.393 16.042 ( 3.543 -3.985 0.649) 5.372 16.139 ( 2.415 0.578 -10.816) 11.098 16.206 ( 2.863 1.514 -0.806) 3.337 16.397 ( 4.991 -10.126 -7.566) 13.590 16.636 ( -6.773 -2.010 2.537) 7.507 16.754 ( -3.170 -10.339 5.498) 12.131 17.104 ( 1.773 23.120 2.608) 23.334 17.282 ( 1.387 4.518 9.145) 10.294 17.513 ( 0.518 -5.763 9.184) 10.855 17.721 ( 2.861 -19.222 3.287) 19.710 17.854 ( 2.317 -2.127 -20.363) 20.604 17.953 ( 2.749 -7.269 -15.937) 17.731 18.411 ( -6.264 0.300 0.727) 6.314 18.430 ( -5.651 -1.198 3.252) 6.629 19.213 ( -5.015 7.268 -5.568) 10.440 19.299 ( -10.926 0.908 -4.363) 11.800 19.447 ( -12.484 0.876 1.267) 12.579 19.645 ( -7.910 -12.516 -1.477) 14.879 20.378 ( 14.374 13.501 -2.893) 19.931 20.553 ( 8.519 -3.009 -0.127) 9.036 20.816 ( 9.437 8.705 3.980) 13.441 20.890 ( 16.674 -3.525 1.880) 17.146 21.394 ( 6.532 3.620 -3.643) 8.309 21.603 ( -7.726 -9.963 -1.252) 12.670 21.920 ( -1.496 2.918 6.316) 7.117 22.028 ( -4.068 -5.739 18.137) 19.454 22.361 ( 0.275 1.591 -0.242) 1.633 22.421 ( 2.676 -4.906 -1.288) 5.735 22.568 ( -5.355 6.711 -13.159) 15.712 22.755 ( -1.991 -11.312 -12.736) 17.151 24.941 ( 6.091 13.946 -21.045) 25.971 25.138 ( 4.496 -5.386 -23.529) 24.552 25.513 ( -6.186 8.238 -22.524) 24.768 25.558 ( -4.311 3.625 -25.658) 26.269 29.537 ( 1.104 8.032 23.989) 25.322 29.622 ( 0.062 10.768 23.108) 25.494 29.785 ( 0.650 -9.443 25.099) 26.824 30.020 ( -3.637 -21.710 22.618) 31.561 ======================= Grid point 157 (60/90) ======================= q-point: ( 0.40 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.370 ( 10.738 30.062 22.721) 39.183 6.610 ( -1.227 18.206 22.107) 28.665 6.723 ( -6.125 11.582 21.041) 24.787 6.838 ( -9.117 3.693 13.887) 17.018 7.220 ( 9.920 -17.478 20.263) 28.539 7.342 ( 8.465 -17.933 23.637) 30.853 7.532 ( -16.174 -7.883 22.225) 28.595 7.629 ( -14.116 -13.144 18.143) 26.480 8.991 ( 9.119 13.090 -10.313) 18.996 9.179 ( -6.530 9.828 -15.558) 19.527 9.262 ( 3.359 -9.981 -13.547) 17.159 9.344 ( -2.710 -4.707 -15.565) 16.485 10.040 ( 14.980 27.177 0.707) 31.040 10.283 ( 3.576 24.926 3.430) 25.414 10.319 ( -5.184 15.560 -2.774) 16.634 10.435 ( -2.798 9.197 -5.388) 11.020 10.485 ( 9.738 1.207 6.425) 11.729 10.618 ( 10.576 5.081 3.522) 12.251 10.905 ( -6.907 -8.392 -0.646) 10.888 10.948 ( -3.733 -10.888 1.189) 11.571 11.477 ( 3.128 11.010 4.881) 12.443 11.554 ( -3.160 16.965 4.502) 17.834 11.763 ( 6.393 -5.946 6.556) 10.918 11.888 ( 7.990 11.798 -13.637) 19.723 11.915 ( -2.001 -11.064 5.102) 12.347 12.092 ( -9.789 -0.135 -8.357) 12.872 12.228 ( -0.410 -13.398 -12.267) 18.170 12.365 ( -14.008 -16.533 -16.100) 26.995 12.923 ( 2.808 -0.058 -11.186) 11.533 12.963 ( 0.155 -2.295 -8.237) 8.552 13.056 ( -1.193 -5.619 -14.982) 16.045 13.096 ( -5.005 -11.745 -14.313) 19.180 13.782 ( 9.391 6.686 -1.500) 11.625 13.919 ( 2.879 -0.179 -1.192) 3.121 13.952 ( 4.109 -2.033 4.815) 6.649 14.075 ( -1.889 -6.875 4.705) 8.542 14.451 ( 4.583 11.399 -0.515) 12.297 14.607 ( -7.375 7.624 -7.393) 12.929 14.681 ( 2.065 -8.009 -2.009) 8.512 14.804 ( -7.363 -8.649 -6.674) 13.174 15.233 ( 7.100 11.107 0.486) 13.192 15.395 ( -5.353 6.741 5.616) 10.278 15.493 ( 2.217 -10.344 -0.168) 10.580 15.601 ( -6.179 -8.680 2.547) 10.955 15.941 ( 3.410 12.574 -6.579) 14.595 15.983 ( 0.588 11.748 -9.147) 14.901 16.147 ( 4.465 -5.105 -5.518) 8.744 16.176 ( 0.979 -1.258 -6.649) 6.837 16.282 ( 4.090 3.388 -2.019) 5.681 16.388 ( -5.422 3.737 -3.688) 7.548 16.565 ( 1.224 -14.906 -0.688) 14.972 16.645 ( -5.650 -14.248 1.039) 15.362 17.193 ( 5.154 19.604 10.402) 22.783 17.275 ( -2.159 11.382 12.364) 16.944 17.555 ( 3.521 -13.902 6.918) 15.923 17.662 ( -5.723 -22.071 4.184) 23.181 17.994 ( 8.608 4.384 -13.530) 16.625 18.087 ( 9.633 -3.859 -10.349) 14.656 18.215 ( -11.072 3.661 -5.837) 13.041 18.287 ( -8.010 -3.755 -2.101) 9.093 19.120 ( -4.427 5.231 -2.203) 7.198 19.129 ( -3.960 9.004 -3.544) 10.456 19.293 ( 1.162 -11.451 -2.807) 11.848 19.435 ( -9.929 -16.406 -4.227) 19.637 20.666 ( 11.753 13.244 -0.265) 17.709 20.840 ( 11.356 1.255 2.133) 11.622 20.857 ( -0.127 11.647 0.183) 11.649 21.115 ( -3.709 -9.722 3.152) 10.873 21.508 ( 5.841 10.651 2.490) 12.400 21.596 ( 6.890 2.861 4.261) 8.591 21.847 ( -4.244 -4.860 4.427) 7.825 21.909 ( -6.333 -8.997 10.576) 15.261 22.381 ( 1.851 4.016 -3.968) 5.942 22.450 ( -4.470 6.908 -9.549) 12.605 22.520 ( 5.866 -9.987 -3.707) 12.161 22.662 ( -6.421 -13.599 -8.277) 17.167 25.118 ( 9.990 12.358 -22.106) 27.225 25.268 ( 7.226 -2.342 -24.567) 25.715 25.338 ( -9.782 9.875 -22.724) 26.638 25.430 ( -7.335 0.735 -25.453) 26.499 29.569 ( 1.869 9.741 23.884) 25.861 29.608 ( -1.457 11.838 23.570) 26.416 29.828 ( 3.503 -14.872 24.306) 28.709 29.923 ( -5.029 -18.470 23.381) 30.218 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.800 ( 0.000 0.000 52.308) 52.308 4.951 ( 0.000 0.000 54.605) 54.605 6.189 ( 0.000 0.000 19.710) 19.710 7.175 ( 0.000 0.000 9.626) 9.626 7.486 ( 0.000 0.000 -10.777) 10.777 7.492 ( 0.000 0.000 -18.643) 18.643 7.623 ( 0.000 0.000 22.765) 22.765 7.723 ( 0.000 0.000 8.783) 8.783 8.064 ( 0.000 0.000 -20.555) 20.555 8.110 ( 0.000 0.000 -19.100) 19.100 8.688 ( 0.000 0.000 -18.183) 18.183 8.783 ( 0.000 0.000 74.805) 74.805 8.987 ( 0.000 0.000 -14.596) 14.596 9.199 ( 0.000 0.000 -27.157) 27.157 9.208 ( 0.000 0.000 -23.018) 23.018 9.664 ( 0.000 0.000 16.584) 16.584 10.613 ( 0.000 0.000 -3.699) 3.699 10.665 ( 0.000 0.000 -10.551) 10.551 11.030 ( 0.000 0.000 11.574) 11.574 11.504 ( 0.000 0.000 6.694) 6.694 11.625 ( 0.000 0.000 6.041) 6.041 11.770 ( 0.000 0.000 -3.661) 3.661 11.819 ( 0.000 0.000 15.254) 15.254 11.961 ( 0.000 0.000 0.496) 0.496 12.027 ( 0.000 0.000 -5.431) 5.431 12.090 ( 0.000 0.000 14.164) 14.164 12.398 ( 0.000 0.000 -2.158) 2.158 12.620 ( 0.000 0.000 -0.317) 0.317 12.801 ( 0.000 0.000 11.734) 11.734 12.984 ( 0.000 0.000 12.971) 12.971 13.154 ( 0.000 0.000 -4.855) 4.855 13.383 ( 0.000 0.000 -1.790) 1.790 13.692 ( 0.000 0.000 -10.442) 10.442 13.756 ( 0.000 0.000 -2.524) 2.524 14.178 ( 0.000 0.000 -0.375) 0.375 14.359 ( 0.000 0.000 -4.486) 4.486 14.436 ( 0.000 0.000 -1.762) 1.762 14.457 ( 0.000 0.000 -9.436) 9.436 14.519 ( 0.000 0.000 3.051) 3.051 14.654 ( 0.000 0.000 -12.395) 12.395 14.705 ( 0.000 0.000 -2.066) 2.066 14.825 ( 0.000 0.000 -18.368) 18.368 15.030 ( 0.000 0.000 -4.334) 4.334 15.208 ( 0.000 0.000 11.446) 11.446 15.563 ( 0.000 0.000 -13.578) 13.578 15.638 ( 0.000 0.000 -8.312) 8.312 15.773 ( 0.000 0.000 -31.915) 31.915 15.819 ( 0.000 0.000 -4.729) 4.729 16.221 ( 0.000 0.000 -1.669) 1.669 16.281 ( 0.000 0.000 1.873) 1.873 16.934 ( 0.000 0.000 -1.314) 1.314 17.542 ( 0.000 0.000 4.427) 4.427 17.596 ( 0.000 0.000 1.089) 1.089 17.901 ( 0.000 0.000 -8.031) 8.031 17.927 ( 0.000 0.000 -1.858) 1.858 18.029 ( 0.000 0.000 5.601) 5.601 18.107 ( 0.000 0.000 4.091) 4.091 18.264 ( 0.000 0.000 -17.643) 17.643 18.817 ( 0.000 0.000 2.723) 2.723 18.957 ( 0.000 0.000 -6.210) 6.210 19.003 ( 0.000 0.000 -2.704) 2.704 19.083 ( 0.000 0.000 -6.426) 6.426 19.395 ( 0.000 0.000 -5.403) 5.403 19.533 ( 0.000 0.000 11.040) 11.040 19.714 ( 0.000 0.000 -2.635) 2.635 20.177 ( 0.000 0.000 -4.256) 4.256 21.301 ( 0.000 0.000 6.174) 6.174 21.451 ( 0.000 0.000 5.589) 5.589 21.674 ( 0.000 0.000 17.370) 17.370 21.951 ( 0.000 0.000 -11.988) 11.988 22.127 ( 0.000 0.000 -19.749) 19.749 22.206 ( 0.000 0.000 1.395) 1.395 22.424 ( 0.000 0.000 11.005) 11.005 22.643 ( 0.000 0.000 -7.940) 7.940 22.718 ( 0.000 0.000 -4.323) 4.323 22.812 ( 0.000 0.000 15.596) 15.596 23.468 ( 0.000 0.000 -13.957) 13.957 23.761 ( 0.000 0.000 -12.972) 12.972 24.040 ( 0.000 0.000 11.353) 11.353 24.965 ( 0.000 0.000 -24.925) 24.925 29.685 ( 0.000 0.000 17.125) 17.125 29.808 ( 0.000 0.000 13.729) 13.729 31.106 ( 0.000 0.000 22.229) 22.229 31.968 ( 0.000 0.000 -7.847) 7.847 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.939 ( 12.634 0.000 49.153) 50.751 5.195 ( 21.690 0.000 50.540) 54.998 6.084 ( -10.477 0.000 22.253) 24.596 6.960 ( -18.626 0.000 18.879) 26.520 7.308 ( -4.312 0.000 -3.574) 5.600 7.595 ( -2.352 0.000 -6.444) 6.859 7.719 ( 7.820 0.000 12.110) 14.415 7.815 ( 8.902 0.000 -6.895) 11.260 8.178 ( 5.258 0.000 -20.588) 21.248 8.215 ( 11.523 0.000 -18.019) 21.388 8.563 ( -8.118 0.000 -17.729) 19.500 8.792 ( -14.288 0.000 -25.672) 29.380 8.924 ( 12.670 0.000 75.110) 76.172 8.930 ( -5.649 0.000 -18.151) 19.010 9.580 ( 10.879 0.000 -29.324) 31.277 9.828 ( 13.098 0.000 13.992) 19.166 10.558 ( -5.231 0.000 -2.948) 6.005 10.559 ( -12.016 0.000 6.888) 13.851 10.967 ( -1.919 0.000 2.352) 3.036 11.185 ( -27.952 0.000 3.830) 28.213 11.578 ( -0.685 0.000 21.170) 21.181 11.670 ( -7.932 0.000 -1.507) 8.073 11.771 ( -10.031 0.000 8.972) 13.458 11.777 ( 1.202 0.000 11.498) 11.560 12.057 ( 7.554 0.000 0.875) 7.605 12.315 ( 11.337 0.000 6.577) 13.107 12.665 ( 19.474 0.000 -8.937) 21.426 12.667 ( 1.668 0.000 1.006) 1.948 12.775 ( -2.247 0.000 4.025) 4.610 12.959 ( -4.701 0.000 1.058) 4.818 13.231 ( -12.137 0.000 -0.065) 12.137 13.400 ( 18.784 0.000 -1.519) 18.845 13.719 ( -5.891 0.000 -8.501) 10.343 13.737 ( 3.549 0.000 -8.645) 9.345 14.188 ( 1.422 0.000 2.775) 3.118 14.298 ( -2.006 0.000 -0.639) 2.105 14.310 ( -8.536 0.000 -8.617) 12.130 14.468 ( -5.632 0.000 -6.934) 8.933 14.528 ( 4.777 0.000 -3.526) 5.937 14.664 ( -3.792 0.000 -10.559) 11.219 14.664 ( 0.680 0.000 -13.096) 13.114 14.746 ( -6.030 0.000 -9.599) 11.336 15.076 ( 4.542 0.000 -3.512) 5.742 15.276 ( 6.303 0.000 10.790) 12.496 15.535 ( -4.629 0.000 -9.185) 10.285 15.750 ( 12.315 0.000 -8.084) 14.731 15.803 ( -2.114 0.000 -2.704) 3.433 15.983 ( 14.693 0.000 -32.423) 35.596 16.167 ( -4.168 0.000 0.560) 4.206 16.250 ( -2.740 0.000 -0.454) 2.778 16.915 ( -1.771 0.000 1.601) 2.387 17.301 ( -13.990 0.000 3.171) 14.345 17.620 ( 1.607 0.000 0.710) 1.757 17.906 ( -0.487 0.000 -4.643) 4.669 17.971 ( -1.768 0.000 2.071) 2.723 18.121 ( -5.056 0.000 -21.905) 22.481 18.159 ( 0.255 0.000 1.103) 1.132 18.245 ( 12.071 0.000 -10.139) 15.764 18.691 ( -7.407 0.000 5.417) 9.176 18.772 ( 0.507 0.000 6.286) 6.307 19.089 ( 2.935 0.000 4.467) 5.345 19.247 ( 2.680 0.000 2.270) 3.512 19.566 ( 4.342 0.000 5.276) 6.833 19.569 ( 12.879 0.000 -10.734) 16.766 19.779 ( 5.319 0.000 -2.352) 5.816 20.118 ( -5.440 0.000 -4.473) 7.043 21.355 ( 4.972 0.000 5.628) 7.510 21.439 ( -1.453 0.000 6.456) 6.617 21.614 ( -6.076 0.000 12.991) 14.341 21.926 ( 0.173 0.000 -7.867) 7.869 21.977 ( -11.354 0.000 -10.311) 15.338 22.213 ( -0.234 0.000 0.771) 0.806 22.378 ( -1.832 0.000 4.353) 4.723 22.610 ( -1.277 0.000 -6.508) 6.632 22.838 ( 6.465 0.000 -4.289) 7.758 22.976 ( 12.707 0.000 6.145) 14.115 23.235 ( -15.227 0.000 -10.369) 18.422 23.700 ( -5.665 0.000 -11.957) 13.231 24.265 ( 15.219 0.000 4.459) 15.859 24.923 ( -4.014 0.000 -21.559) 21.929 29.711 ( 2.294 0.000 16.995) 17.149 29.818 ( 0.647 0.000 14.109) 14.124 31.136 ( 3.225 0.000 20.101) 20.358 31.835 ( -11.600 0.000 -3.938) 12.251 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.302 ( 20.407 0.000 40.943) 45.747 5.748 ( -20.030 0.000 30.512) 36.499 5.784 ( 31.430 0.000 41.199) 51.818 6.442 ( -28.998 0.000 30.367) 41.988 7.329 ( 5.384 0.000 1.662) 5.634 7.478 ( -7.352 0.000 0.931) 7.410 7.933 ( 12.196 0.000 -1.532) 12.292 8.009 ( 8.972 0.000 -14.538) 17.084 8.186 ( -6.475 0.000 -17.578) 18.732 8.213 ( -12.390 0.000 -11.969) 17.227 8.542 ( 7.834 0.000 -23.977) 25.225 8.756 ( -10.173 0.000 -23.648) 25.743 8.880 ( 21.687 0.000 -14.407) 26.036 9.256 ( 5.046 0.000 41.483) 41.789 9.565 ( 2.000 0.000 -9.677) 9.881 10.104 ( -32.087 0.000 27.866) 42.498 10.128 ( 13.897 0.000 8.592) 16.339 10.390 ( -10.426 0.000 1.480) 10.530 10.808 ( 4.983 0.000 4.896) 6.986 10.992 ( -6.128 0.000 -1.214) 6.247 11.555 ( -1.329 0.000 6.755) 6.884 11.607 ( 4.874 0.000 16.392) 17.101 11.609 ( -5.658 0.000 9.091) 10.708 11.737 ( -5.278 0.000 13.739) 14.718 12.293 ( 14.323 0.000 1.380) 14.390 12.590 ( 14.418 0.000 3.665) 14.876 12.613 ( -13.401 0.000 1.997) 13.549 12.731 ( 4.256 0.000 -2.106) 4.749 12.835 ( -5.379 0.000 -1.748) 5.655 12.902 ( -12.911 0.000 -0.530) 12.922 13.120 ( 17.188 0.000 -9.896) 19.834 13.485 ( -15.128 0.000 -12.168) 19.414 13.727 ( 8.978 0.000 -8.125) 12.108 13.792 ( 0.757 0.000 -8.525) 8.559 14.236 ( 2.399 0.000 4.312) 4.935 14.241 ( 3.316 0.000 -15.080) 15.440 14.273 ( -1.091 0.000 2.072) 2.342 14.354 ( -4.681 0.000 -20.041) 20.580 14.576 ( -3.275 0.000 -5.044) 6.014 14.603 ( -5.985 0.000 -2.284) 6.406 14.612 ( 3.257 0.000 -6.552) 7.317 14.662 ( -1.237 0.000 -11.228) 11.296 15.212 ( 7.838 0.000 -4.780) 9.181 15.390 ( -8.379 0.000 -6.696) 10.726 15.463 ( 10.696 0.000 8.673) 13.770 15.688 ( -9.057 0.000 3.983) 9.894 16.055 ( 13.970 0.000 -12.453) 18.715 16.118 ( 0.670 0.000 -0.896) 1.119 16.176 ( -3.807 0.000 -1.853) 4.234 16.213 ( 2.490 0.000 -27.718) 27.830 16.893 ( 2.728 0.000 6.964) 7.479 17.058 ( -9.898 0.000 1.099) 9.959 17.640 ( 1.842 0.000 -3.066) 3.577 17.767 ( -9.766 0.000 -8.757) 13.117 17.988 ( 3.250 0.000 -2.026) 3.830 18.089 ( -5.385 0.000 -3.316) 6.324 18.115 ( 7.196 0.000 -15.242) 16.855 18.293 ( -7.352 0.000 -14.446) 16.209 18.868 ( 17.931 0.000 11.968) 21.558 18.880 ( 8.092 0.000 12.389) 14.798 19.046 ( -6.236 0.000 12.395) 13.876 19.183 ( -9.414 0.000 6.472) 11.424 19.734 ( 10.378 0.000 -2.750) 10.736 19.800 ( 7.994 0.000 -6.626) 10.383 19.873 ( 1.532 0.000 -2.921) 3.299 19.955 ( -9.593 0.000 -4.571) 10.627 21.399 ( -0.992 0.000 7.371) 7.437 21.456 ( -6.524 0.000 8.759) 10.922 21.504 ( 8.927 0.000 3.520) 9.596 21.725 ( -11.589 0.000 -1.276) 11.659 22.019 ( 7.438 0.000 -6.200) 9.683 22.161 ( -4.793 0.000 -3.401) 5.877 22.405 ( 4.326 0.000 1.561) 4.599 22.537 ( -6.396 0.000 -1.025) 6.478 22.932 ( 2.497 0.000 -8.803) 9.150 22.996 ( -5.733 0.000 -12.000) 13.299 23.266 ( 13.568 0.000 -3.188) 13.937 23.526 ( -10.507 0.000 -8.826) 13.722 24.570 ( 12.744 0.000 -3.399) 13.190 24.793 ( -8.272 0.000 -13.005) 15.413 29.771 ( 2.925 0.000 16.450) 16.708 29.817 ( -1.093 0.000 15.272) 15.311 31.268 ( 9.656 0.000 13.830) 16.867 31.537 ( -14.789 0.000 4.829) 15.557 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.096 ( 0.000 14.158 52.508) 54.383 5.161 ( 0.000 32.856 49.479) 59.394 6.443 ( 0.000 22.557 20.315) 30.356 7.159 ( 0.000 0.070 9.013) 9.013 7.435 ( 0.000 1.627 -1.380) 2.134 7.663 ( 0.000 14.621 -7.652) 16.503 7.758 ( 0.000 3.493 0.488) 3.526 7.864 ( 0.000 16.338 6.306) 17.513 8.210 ( 0.000 13.348 -12.513) 18.296 8.227 ( 0.000 9.962 -14.634) 17.703 8.669 ( 0.000 -1.066 -16.306) 16.341 8.878 ( 0.000 9.323 64.061) 64.736 8.919 ( 0.000 -3.441 -16.199) 16.560 9.288 ( 0.000 8.685 -20.315) 22.094 9.334 ( 0.000 9.584 -24.814) 26.601 9.634 ( 0.000 -2.296 15.466) 15.635 10.481 ( 0.000 -12.739 0.469) 12.748 10.590 ( 0.000 -6.432 -7.534) 9.906 10.986 ( 0.000 -4.348 10.999) 11.827 11.359 ( 0.000 -11.856 3.077) 12.249 11.464 ( 0.000 -10.850 0.726) 10.874 11.582 ( 0.000 -8.014 5.529) 9.736 11.894 ( 0.000 -5.284 -0.388) 5.298 11.985 ( 0.000 9.358 2.245) 9.623 12.018 ( 0.000 -1.286 -7.441) 7.551 12.200 ( 0.000 0.057 14.489) 14.489 12.419 ( 0.000 -0.366 -12.136) 12.142 12.756 ( 0.000 0.143 13.746) 13.747 12.824 ( 0.000 13.601 2.171) 13.773 12.885 ( 0.000 -0.550 1.117) 1.245 13.095 ( 0.000 -1.742 3.894) 4.266 13.466 ( 0.000 -10.893 -1.831) 11.046 13.660 ( 0.000 16.364 0.573) 16.374 13.930 ( 0.000 3.784 1.211) 3.973 14.155 ( 0.000 1.015 -8.377) 8.438 14.333 ( 0.000 -8.730 1.132) 8.803 14.396 ( 0.000 -0.064 -4.170) 4.170 14.414 ( 0.000 -4.906 0.357) 4.919 14.428 ( 0.000 -0.596 -6.020) 6.049 14.744 ( 0.000 2.561 -12.915) 13.166 14.790 ( 0.000 6.820 0.546) 6.842 15.044 ( 0.000 18.472 -13.999) 23.177 15.056 ( 0.000 3.992 -5.132) 6.502 15.186 ( 0.000 1.066 0.980) 1.448 15.641 ( 0.000 2.495 -9.055) 9.393 15.655 ( 0.000 5.200 -8.464) 9.934 15.765 ( 0.000 -0.289 -29.486) 29.487 15.842 ( 0.000 1.931 -6.076) 6.375 16.151 ( 0.000 -5.291 -5.542) 7.662 16.231 ( 0.000 -4.335 -0.047) 4.336 16.961 ( 0.000 -0.058 5.738) 5.738 17.507 ( 0.000 -4.960 3.355) 5.988 17.683 ( 0.000 10.471 2.967) 10.883 17.721 ( 0.000 -18.536 6.231) 19.556 17.856 ( 0.000 -7.453 -2.632) 7.904 18.016 ( 0.000 -1.080 5.349) 5.457 18.125 ( 0.000 3.800 1.783) 4.197 18.176 ( 0.000 -7.888 -21.985) 23.357 18.706 ( 0.000 -16.698 -7.428) 18.276 18.815 ( 0.000 0.271 -0.541) 0.605 19.076 ( 0.000 0.893 -1.666) 1.890 19.105 ( 0.000 -0.462 -5.794) 5.812 19.405 ( 0.000 2.277 0.091) 2.279 19.654 ( 0.000 11.796 3.309) 12.251 19.725 ( 0.000 0.937 -1.458) 1.733 20.063 ( 0.000 -9.617 -2.983) 10.068 21.064 ( 0.000 -15.727 7.497) 17.423 21.614 ( 0.000 9.629 0.338) 9.635 21.671 ( 0.000 -2.242 9.395) 9.659 21.818 ( 0.000 -14.297 -9.455) 17.141 21.949 ( 0.000 -7.741 -4.727) 9.070 22.188 ( 0.000 -2.055 -0.844) 2.222 22.438 ( 0.000 -10.182 -1.516) 10.294 22.627 ( 0.000 -4.257 1.934) 4.675 22.734 ( 0.000 17.562 -0.458) 17.568 22.956 ( 0.000 7.610 12.411) 14.559 23.719 ( 0.000 22.816 -15.194) 27.413 23.968 ( 0.000 2.428 -1.367) 2.787 24.080 ( 0.000 17.446 -5.168) 18.195 24.911 ( 0.000 -4.879 -26.000) 26.454 29.690 ( 0.000 0.642 16.962) 16.975 29.798 ( 0.000 -0.764 13.976) 13.997 31.023 ( 0.000 -7.998 21.773) 23.196 31.804 ( 0.000 -15.472 -4.890) 16.226 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.207 ( 11.695 19.675 48.589) 53.710 5.396 ( 19.388 23.892 47.068) 56.232 6.354 ( -9.474 24.425 22.867) 34.774 6.947 ( -17.299 0.202 18.929) 25.644 7.414 ( -1.826 6.959 -5.788) 9.234 7.681 ( 1.505 9.504 -5.421) 11.044 7.766 ( 0.833 7.449 10.399) 12.819 7.927 ( 5.069 7.483 -4.633) 10.156 8.213 ( 4.936 4.386 -16.973) 18.212 8.402 ( 6.405 14.634 -14.406) 21.511 8.579 ( -4.329 2.283 -14.457) 15.263 8.783 ( -6.292 1.996 -23.659) 24.562 8.996 ( -5.820 8.139 23.051) 25.128 9.068 ( 7.948 9.673 22.196) 25.484 9.583 ( 7.050 1.177 -23.261) 24.334 9.815 ( 12.413 -0.825 9.823) 15.851 10.419 ( -2.576 -9.427 2.700) 10.139 10.581 ( -5.167 -1.261 0.928) 5.399 10.930 ( -1.839 -3.825 5.527) 6.968 11.196 ( -25.262 1.503 5.832) 25.970 11.417 ( -0.815 -13.969 5.561) 15.057 11.443 ( -1.137 -9.011 10.595) 13.955 11.817 ( -11.128 1.439 5.019) 12.293 11.921 ( 1.458 -7.291 0.592) 7.459 11.997 ( 1.980 8.272 2.527) 8.873 12.300 ( 9.277 -2.500 0.777) 9.640 12.588 ( 5.741 -10.465 -4.057) 12.607 12.720 ( -2.321 -3.198 3.217) 5.095 12.826 ( -0.685 4.946 -3.508) 6.102 12.932 ( 6.975 10.548 -5.328) 13.722 13.272 ( 2.803 0.585 7.836) 8.343 13.366 ( 0.526 -4.602 0.687) 4.683 13.698 ( 2.757 5.456 -3.039) 6.827 13.890 ( -5.425 6.726 -4.841) 9.904 14.141 ( 0.829 -1.920 -3.398) 3.990 14.220 ( -6.328 -8.298 -6.026) 12.050 14.359 ( -0.382 4.660 3.750) 5.994 14.419 ( -2.589 -7.337 -9.758) 12.480 14.520 ( 4.269 1.903 -0.933) 4.766 14.709 ( -3.813 2.292 -17.113) 17.682 14.746 ( -1.781 9.279 -4.227) 10.350 14.965 ( -5.577 16.918 -10.956) 20.913 15.107 ( 4.186 4.518 -5.091) 7.991 15.230 ( 5.991 -2.703 4.584) 8.013 15.574 ( -5.281 2.725 -6.353) 8.699 15.751 ( 3.912 1.093 -4.519) 6.076 15.883 ( 6.487 6.490 -6.095) 11.016 15.948 ( 10.230 -3.243 -26.497) 28.588 16.164 ( 2.722 -0.607 -8.755) 9.188 16.197 ( -2.069 -3.602 0.387) 4.172 16.919 ( -3.623 -1.506 7.103) 8.115 17.339 ( -11.447 2.168 1.373) 11.731 17.601 ( -0.014 -2.306 3.271) 4.003 17.757 ( -3.748 -8.892 0.276) 9.653 17.947 ( -0.604 -9.251 -3.996) 10.095 18.061 ( -5.365 -7.027 -0.565) 8.859 18.099 ( 6.729 -9.474 -8.755) 14.550 18.215 ( 8.697 7.409 -6.651) 13.220 18.652 ( -6.106 -8.659 2.177) 10.817 18.698 ( -5.899 -3.577 -3.089) 7.558 19.044 ( 5.815 -4.153 2.251) 7.492 19.232 ( -0.116 -2.225 -0.097) 2.230 19.493 ( 6.863 2.442 0.215) 7.287 19.672 ( 4.593 4.917 -1.631) 6.923 19.853 ( 8.206 5.674 -1.143) 10.042 20.087 ( 1.935 -4.097 -3.596) 5.785 21.097 ( 2.408 -16.269 6.782) 17.790 21.468 ( -11.216 -0.978 -3.872) 11.905 21.640 ( -3.981 0.336 7.870) 8.826 21.811 ( -1.564 -9.779 2.131) 10.130 21.977 ( 4.200 0.136 -5.925) 7.264 22.200 ( 0.968 -2.283 -0.490) 2.527 22.382 ( -3.596 -7.100 -2.363) 8.302 22.599 ( -4.275 3.748 8.859) 10.526 22.703 ( 3.936 -1.543 -7.924) 8.981 23.181 ( 10.776 9.557 5.058) 15.265 23.434 ( -13.370 20.235 -10.535) 26.442 24.001 ( -5.377 23.104 -13.138) 27.117 24.260 ( 15.255 1.200 -0.168) 15.303 24.873 ( -3.596 -4.393 -22.953) 23.644 29.713 ( 2.028 0.358 16.849) 16.975 29.807 ( 0.581 -0.853 14.309) 14.346 31.050 ( 2.981 -8.198 19.829) 21.663 31.685 ( -10.434 -14.230 -1.534) 17.713 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.566 ( 20.832 21.953 40.821) 50.816 5.906 ( 26.445 14.192 38.846) 49.090 6.026 ( -19.778 24.733 31.071) 44.366 6.481 ( -25.625 4.740 29.476) 39.344 7.454 ( 5.859 10.098 -0.178) 11.676 7.607 ( -7.023 11.102 1.108) 13.184 7.878 ( 8.027 -0.222 -1.480) 8.165 7.998 ( -0.599 -1.359 -8.720) 8.845 8.305 ( -0.767 5.724 -14.973) 16.048 8.356 ( -4.807 11.847 -16.422) 20.812 8.547 ( 6.620 4.124 -20.680) 22.102 8.773 ( -10.249 3.488 -21.532) 24.100 8.978 ( 17.806 8.040 -13.075) 23.509 9.312 ( -2.957 3.602 16.025) 16.689 9.621 ( 11.664 7.606 10.822) 17.636 10.029 ( -1.363 -2.153 21.206) 21.359 10.266 ( -13.105 7.627 14.920) 21.273 10.396 ( -6.381 1.344 0.105) 6.522 10.809 ( 1.654 0.290 4.759) 5.046 10.950 ( -5.309 -4.506 2.049) 7.259 11.367 ( -0.199 -11.067 6.967) 13.079 11.420 ( -3.372 -8.335 10.114) 13.533 11.713 ( 2.797 2.064 9.792) 10.390 11.846 ( -6.847 1.579 6.944) 9.880 12.183 ( 13.633 -6.046 0.004) 14.914 12.453 ( -3.600 -8.546 -1.564) 9.404 12.579 ( -0.454 -7.116 -5.444) 8.971 12.666 ( -2.470 -10.088 -7.749) 12.958 12.824 ( 5.326 5.778 0.548) 7.877 13.037 ( -12.188 6.200 3.089) 14.018 13.220 ( 14.460 8.707 -5.080) 17.627 13.470 ( -4.912 -1.293 -1.916) 5.429 13.751 ( 1.574 1.871 -8.817) 9.150 13.775 ( -1.520 2.021 -4.700) 5.337 14.156 ( 1.916 -8.873 -12.471) 15.425 14.216 ( 4.557 -0.504 -4.180) 6.204 14.299 ( -6.682 -5.741 -8.945) 12.555 14.335 ( -3.416 3.356 4.567) 6.617 14.579 ( 2.285 4.336 -7.111) 8.636 14.641 ( -3.012 2.888 -11.844) 12.558 14.752 ( 3.120 11.909 -6.441) 13.894 14.850 ( -5.240 14.672 -8.664) 17.827 15.235 ( 7.501 2.224 -5.115) 9.347 15.383 ( -0.503 -0.219 -4.402) 4.436 15.465 ( 3.472 0.084 4.862) 5.975 15.674 ( -9.295 -0.931 3.856) 10.106 16.046 ( 2.771 -4.345 -9.320) 10.650 16.081 ( 3.435 0.800 -9.649) 10.273 16.189 ( 5.771 2.541 -3.548) 7.236 16.296 ( 2.319 5.333 -19.718) 20.558 16.884 ( 4.106 -1.191 7.283) 8.445 17.098 ( -12.184 2.799 0.510) 12.511 17.599 ( 1.284 -4.470 -1.129) 4.785 17.687 ( -5.031 -6.850 -1.923) 8.714 17.860 ( -0.054 -6.470 -10.202) 12.081 17.940 ( -5.376 -8.619 -6.826) 12.238 18.236 ( 6.822 0.833 -3.696) 7.803 18.415 ( -10.146 0.120 -2.056) 10.353 18.511 ( 14.329 -11.453 2.829) 18.561 18.710 ( -2.679 -17.736 5.737) 18.832 19.108 ( 1.852 0.765 6.155) 6.473 19.181 ( -3.594 -4.028 4.802) 7.225 19.672 ( 8.512 3.680 -2.269) 9.547 19.760 ( 1.228 0.939 -3.556) 3.877 20.017 ( 6.479 7.130 -1.558) 9.759 20.103 ( -1.393 4.368 -2.445) 5.196 21.128 ( 0.892 -16.639 2.874) 16.909 21.223 ( -9.321 -10.880 -1.863) 14.448 21.606 ( 2.563 0.738 7.487) 7.948 21.718 ( -6.230 -2.308 7.968) 10.375 22.113 ( 6.225 5.157 -4.392) 9.200 22.197 ( -1.978 1.189 -1.994) 3.050 22.383 ( 4.898 -7.953 -0.515) 9.354 22.513 ( -5.032 -2.680 6.160) 8.393 22.812 ( 6.421 -0.266 -11.602) 13.263 23.017 ( -13.370 8.017 -10.293) 18.681 23.567 ( 13.671 21.169 -4.673) 25.629 23.829 ( -10.505 22.168 -9.350) 26.253 24.552 ( 11.797 -0.726 -6.973) 13.723 24.756 ( -7.485 -2.961 -15.314) 17.300 29.766 ( 2.585 -0.296 16.368) 16.574 29.807 ( -0.960 -0.812 15.329) 15.380 31.172 ( 8.806 -9.232 14.149) 19.052 31.416 ( -13.383 -11.536 6.119) 18.698 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.509 ( 0.000 25.995 46.986) 53.698 5.961 ( 0.000 41.532 45.231) 61.406 6.885 ( 0.000 15.517 18.018) 23.779 7.205 ( 0.000 4.349 9.308) 10.274 7.715 ( 0.000 27.504 5.956) 28.141 7.828 ( 0.000 4.732 0.553) 4.764 8.001 ( 0.000 13.768 -12.123) 18.345 8.106 ( 0.000 4.789 9.532) 10.667 8.455 ( 0.000 11.474 0.045) 11.474 8.501 ( 0.000 11.733 -1.868) 11.881 8.709 ( 0.000 8.092 -12.384) 14.794 8.933 ( 0.000 5.208 -26.346) 26.856 9.167 ( 0.000 19.266 30.629) 36.184 9.479 ( 0.000 0.578 -18.557) 18.566 9.535 ( 0.000 14.224 6.520) 15.647 9.645 ( 0.000 6.769 1.070) 6.854 10.176 ( 0.000 -12.737 2.717) 13.023 10.490 ( 0.000 -0.665 -2.368) 2.459 10.846 ( 0.000 -9.100 10.056) 13.562 11.123 ( 0.000 -10.029 -2.236) 10.275 11.303 ( 0.000 -3.835 -5.925) 7.058 11.497 ( 0.000 -2.713 -4.956) 5.650 11.724 ( 0.000 -11.312 -8.122) 13.926 11.954 ( 0.000 -5.541 -10.135) 11.550 12.046 ( 0.000 -7.376 10.693) 12.990 12.159 ( 0.000 6.106 1.184) 6.219 12.436 ( 0.000 3.300 -6.003) 6.850 12.699 ( 0.000 -4.260 -9.616) 10.518 12.981 ( 0.000 -0.888 13.284) 13.314 13.091 ( 0.000 6.060 -14.698) 15.899 13.104 ( 0.000 9.025 9.714) 13.259 13.298 ( 0.000 -5.698 9.656) 11.212 13.870 ( 0.000 1.181 4.724) 4.870 13.914 ( 0.000 -9.442 2.836) 9.858 14.064 ( 0.000 -8.666 -4.015) 9.551 14.218 ( 0.000 -1.098 0.111) 1.104 14.267 ( 0.000 -7.344 11.100) 13.310 14.337 ( 0.000 5.451 -12.875) 13.981 14.612 ( 0.000 10.866 2.722) 11.202 14.829 ( 0.000 4.986 -16.200) 16.950 14.866 ( 0.000 0.809 8.329) 8.368 15.185 ( 0.000 5.331 -3.454) 6.352 15.242 ( 0.000 13.057 -8.797) 15.744 15.471 ( 0.000 11.651 -18.484) 21.850 15.678 ( 0.000 4.277 -11.033) 11.833 15.755 ( 0.000 -1.104 -31.842) 31.861 15.810 ( 0.000 8.128 -5.957) 10.078 15.905 ( 0.000 3.939 1.315) 4.153 16.084 ( 0.000 1.396 -7.521) 7.649 16.154 ( 0.000 -1.165 -3.693) 3.872 16.857 ( 0.000 -9.711 10.184) 14.072 17.294 ( 0.000 -21.470 6.192) 22.345 17.360 ( 0.000 -8.950 9.273) 12.888 17.624 ( 0.000 -15.715 0.875) 15.740 17.849 ( 0.000 -15.212 -6.293) 16.462 17.952 ( 0.000 7.877 10.313) 12.978 18.011 ( 0.000 4.521 2.817) 5.327 18.319 ( 0.000 6.426 -7.209) 9.657 18.385 ( 0.000 -11.795 -10.628) 15.877 18.776 ( 0.000 -5.780 4.536) 7.348 19.031 ( 0.000 -4.806 -2.921) 5.624 19.084 ( 0.000 1.444 -10.979) 11.073 19.521 ( 0.000 8.637 -1.074) 8.703 19.726 ( 0.000 -1.557 -2.451) 2.904 19.908 ( 0.000 -2.531 1.855) 3.138 19.961 ( 0.000 17.187 -2.695) 17.397 20.769 ( 0.000 -12.059 6.981) 13.934 21.375 ( 0.000 -24.784 -7.500) 25.894 21.539 ( 0.000 -11.271 -3.223) 11.723 21.753 ( 0.000 2.316 -8.773) 9.073 21.930 ( 0.000 3.772 11.105) 11.728 22.149 ( 0.000 -0.491 -3.292) 3.329 22.324 ( 0.000 -1.437 -0.693) 1.595 22.568 ( 0.000 -1.759 3.955) 4.329 22.982 ( 0.000 3.469 4.680) 5.826 23.022 ( 0.000 -2.161 17.522) 17.654 24.000 ( 0.000 6.807 -3.148) 7.500 24.268 ( 0.000 28.373 -18.043) 33.624 24.541 ( 0.000 22.614 -15.888) 27.637 24.802 ( 0.000 -4.897 -27.667) 28.097 29.722 ( 0.000 2.788 16.487) 16.721 29.789 ( 0.000 0.242 14.632) 14.634 30.798 ( 0.000 -13.616 20.597) 24.690 31.388 ( 0.000 -24.219 1.529) 24.267 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.621 ( 10.851 23.496 43.861) 50.927 6.105 ( 12.549 39.039 43.738) 59.954 6.873 ( -2.485 19.430 21.694) 29.229 7.002 ( -17.897 5.774 16.176) 24.805 7.621 ( -4.137 16.739 2.715) 17.455 7.897 ( -2.442 8.068 -7.628) 11.368 7.962 ( 1.774 6.450 -2.843) 7.269 8.114 ( -2.797 15.966 13.477) 21.080 8.270 ( -1.093 -0.619 -4.640) 4.807 8.670 ( -0.506 10.529 -13.573) 17.186 8.732 ( 2.070 11.568 -12.765) 17.351 8.933 ( 4.897 11.770 -21.790) 25.245 9.192 ( -12.892 10.684 -12.083) 20.648 9.285 ( 8.620 11.043 21.646) 25.784 9.686 ( 12.805 9.422 11.885) 19.849 9.853 ( 3.218 7.667 -3.622) 9.070 10.206 ( 7.705 -10.474 3.492) 13.463 10.563 ( 4.106 1.803 0.554) 4.519 10.809 ( -2.475 -7.317 10.809) 13.285 11.189 ( 1.390 -7.462 1.098) 7.669 11.266 ( -17.717 4.584 2.245) 18.438 11.311 ( 3.703 -4.010 -6.128) 8.206 11.689 ( -5.376 -8.749 -0.403) 10.277 11.837 ( -5.149 -4.881 -0.906) 7.153 12.118 ( -0.102 1.826 -4.375) 4.742 12.184 ( 4.232 -7.819 3.478) 9.547 12.393 ( -1.183 -4.151 -10.832) 11.661 12.637 ( -5.941 -4.719 -9.385) 12.068 12.902 ( -4.371 0.838 -0.600) 4.491 13.139 ( 9.023 4.587 2.653) 10.464 13.259 ( -3.989 -3.305 9.503) 10.823 13.323 ( 10.046 3.827 -0.744) 10.776 13.797 ( -3.390 0.762 -0.507) 3.512 13.887 ( -3.133 -16.198 -0.826) 16.519 14.033 ( -3.459 2.130 -1.788) 4.438 14.209 ( 1.052 3.524 -0.437) 3.703 14.290 ( -0.879 -3.030 -4.766) 5.715 14.363 ( 2.569 -0.755 5.010) 5.681 14.625 ( 1.050 6.228 0.309) 6.324 14.758 ( -4.641 3.119 -14.504) 15.545 14.927 ( 4.391 5.635 0.316) 7.151 15.208 ( -1.178 11.096 -7.850) 13.643 15.240 ( 4.590 5.012 -0.992) 6.868 15.379 ( -5.994 15.695 -16.324) 23.425 15.613 ( -5.748 0.953 -8.135) 10.006 15.797 ( 1.008 2.157 -5.145) 5.669 15.867 ( 3.391 -2.770 -19.111) 19.606 16.037 ( 10.511 6.322 -1.981) 12.424 16.100 ( -1.365 -1.698 -7.858) 8.155 16.213 ( 8.947 4.221 -9.143) 13.471 16.817 ( -2.734 -7.677 9.139) 12.245 17.243 ( -3.852 -13.943 5.313) 15.410 17.419 ( 2.512 -11.749 7.326) 14.072 17.604 ( -1.022 -13.614 3.316) 14.050 17.746 ( -5.231 -6.999 -5.887) 10.537 17.947 ( -4.104 -1.971 -0.631) 4.596 18.001 ( -0.318 2.932 2.936) 4.162 18.254 ( -5.933 -12.604 -2.936) 14.237 18.403 ( 4.030 -1.075 -4.617) 6.223 18.734 ( -11.601 0.030 -5.690) 12.921 18.919 ( 4.824 -7.269 4.822) 9.968 19.178 ( 1.384 -0.844 -5.850) 6.071 19.604 ( 7.617 5.826 -1.650) 9.730 19.803 ( 0.808 7.264 0.707) 7.343 19.872 ( 5.780 -7.045 -3.262) 9.679 20.094 ( 5.947 10.627 -3.491) 12.668 20.805 ( 2.803 -11.501 6.005) 13.274 21.387 ( -3.769 -11.461 -12.098) 17.086 21.469 ( -2.869 -11.099 0.259) 11.466 21.722 ( -1.213 0.935 6.536) 6.713 21.976 ( 5.060 -0.239 4.424) 6.725 22.156 ( 0.639 -0.136 -3.305) 3.369 22.293 ( -2.867 -1.242 -0.446) 3.156 22.550 ( -2.679 -2.794 4.725) 6.108 22.809 ( -2.965 1.765 4.631) 5.775 23.243 ( 5.259 -4.693 8.377) 10.948 23.889 ( -2.771 21.519 -9.700) 23.767 24.406 ( 5.711 15.700 -10.219) 19.584 24.488 ( -2.475 21.986 -17.903) 28.461 24.782 ( -1.894 -3.549 -25.525) 25.840 29.737 ( 1.339 2.316 16.435) 16.652 29.796 ( 0.493 0.201 14.835) 14.845 30.821 ( 2.362 -13.943 19.105) 23.769 31.300 ( -7.728 -22.530 3.747) 24.111 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.969 ( 21.384 18.049 36.256) 45.799 6.419 ( 9.230 28.771 36.892) 47.686 6.504 ( -18.372 18.514 28.408) 38.565 6.754 ( -11.570 24.098 32.768) 42.289 7.627 ( 5.802 6.813 -4.047) 9.822 7.798 ( -6.998 3.847 -3.136) 8.579 7.971 ( -0.774 2.921 -0.929) 3.162 8.005 ( -4.156 5.937 3.646) 8.113 8.392 ( 8.088 7.510 -6.691) 12.907 8.558 ( -7.698 9.777 -13.613) 18.444 8.782 ( 5.893 14.128 -17.628) 23.347 8.946 ( -8.079 12.051 -21.284) 25.758 9.174 ( 10.425 11.898 -14.547) 21.491 9.366 ( -4.814 3.861 -8.243) 10.297 9.880 ( 11.968 12.600 28.780) 33.620 10.058 ( 9.442 7.773 19.175) 22.743 10.324 ( 1.315 -0.105 5.333) 5.494 10.540 ( -8.445 11.824 7.025) 16.140 10.778 ( 1.462 -5.144 8.224) 9.809 10.912 ( -11.549 5.858 4.582) 13.737 11.200 ( 3.915 -4.082 0.853) 5.720 11.352 ( -5.683 1.074 -0.706) 5.827 11.648 ( 4.411 -8.718 4.329) 10.686 11.745 ( -3.437 -7.331 0.651) 8.123 12.143 ( 4.780 -1.004 0.397) 4.901 12.261 ( -0.684 -10.303 -5.546) 11.720 12.369 ( -0.273 -11.298 -17.392) 20.742 12.465 ( -8.306 -9.164 -12.526) 17.603 12.920 ( 5.821 2.715 1.904) 6.700 13.095 ( -9.130 -0.256 5.459) 10.641 13.352 ( 8.582 0.445 2.642) 8.990 13.455 ( 0.711 0.134 1.681) 1.830 13.776 ( 0.490 0.017 -9.970) 9.982 13.818 ( -2.782 -9.274 -5.324) 11.049 13.994 ( 3.112 2.817 -3.730) 5.616 14.152 ( -8.609 -1.491 -13.813) 16.345 14.304 ( 4.746 4.365 5.700) 8.606 14.387 ( -1.776 2.388 9.027) 9.505 14.651 ( 1.186 0.353 -7.204) 7.309 14.680 ( -2.143 2.388 -13.719) 14.089 15.042 ( 6.153 13.604 -3.908) 15.434 15.173 ( -5.164 15.200 -7.885) 17.885 15.292 ( 4.399 4.194 -5.423) 8.146 15.421 ( 5.392 4.816 -5.931) 9.351 15.460 ( -4.079 -0.747 -0.893) 4.241 15.670 ( -10.868 1.066 2.077) 11.116 15.976 ( 5.613 -2.283 -10.224) 11.885 16.065 ( -2.475 -1.581 -7.326) 7.893 16.278 ( 10.098 4.632 -5.852) 12.556 16.382 ( 2.351 2.422 -14.551) 14.937 16.830 ( 6.742 -4.176 5.113) 9.436 17.070 ( -12.273 -8.037 0.600) 14.683 17.474 ( 3.788 -6.293 7.188) 10.277 17.566 ( -3.664 -5.924 8.963) 11.352 17.716 ( 2.428 -7.962 -10.380) 13.306 17.813 ( -6.472 -3.320 -10.839) 13.053 18.019 ( 3.170 -10.625 5.975) 12.595 18.134 ( -6.401 -16.445 5.880) 18.601 18.476 ( 2.867 -6.792 -4.208) 8.489 18.548 ( -4.735 -1.547 -6.206) 7.958 19.039 ( 5.454 -4.913 5.364) 9.092 19.144 ( -3.997 1.235 0.926) 4.285 19.769 ( 6.314 -1.170 -1.789) 6.666 19.835 ( 0.716 2.304 -2.122) 3.213 20.024 ( 7.689 -2.448 -5.105) 9.548 20.145 ( -1.873 5.506 -5.158) 7.774 20.889 ( 6.530 -6.099 2.096) 9.177 21.125 ( -14.694 0.351 -5.652) 15.748 21.549 ( 6.634 -5.249 8.277) 11.835 21.678 ( -4.308 -0.284 10.525) 11.376 22.151 ( 7.136 -5.900 1.096) 9.324 22.183 ( 2.983 2.213 -3.356) 5.005 22.234 ( 0.159 -2.642 0.217) 2.656 22.420 ( -9.178 -3.932 5.524) 11.411 22.892 ( 9.306 0.795 -4.323) 10.292 23.137 ( -11.799 -1.102 -2.086) 12.032 24.018 ( 11.970 22.435 -8.935) 26.952 24.276 ( -10.995 20.829 -10.517) 25.794 24.607 ( 6.704 7.204 -16.199) 18.954 24.720 ( -4.052 0.493 -20.478) 20.881 29.772 ( 1.714 1.266 16.153) 16.293 29.798 ( -0.572 0.412 15.485) 15.501 30.915 ( 6.744 -15.495 14.837) 22.488 31.100 ( -10.051 -18.789 9.015) 23.137 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.120 ( 0.000 33.524 39.419) 51.746 6.701 ( 0.000 29.937 41.773) 51.393 7.089 ( 0.000 7.306 13.870) 15.677 7.308 ( 0.000 4.822 8.728) 9.971 7.884 ( 0.000 -3.767 4.991) 6.253 7.917 ( 0.000 -10.037 17.806) 20.440 8.116 ( 0.000 1.065 -4.324) 4.454 8.564 ( 0.000 23.208 6.436) 24.084 8.578 ( 0.000 14.569 17.132) 22.489 8.661 ( 0.000 4.967 -3.317) 5.972 8.984 ( 0.000 13.170 -5.974) 14.461 9.064 ( 0.000 5.376 -27.538) 28.058 9.368 ( 0.000 -8.150 -16.808) 18.679 9.520 ( 0.000 11.444 -14.810) 18.717 9.896 ( 0.000 28.827 44.289) 52.844 9.901 ( 0.000 17.197 -4.838) 17.865 10.187 ( 0.000 11.429 -3.552) 11.968 10.561 ( 0.000 2.168 -8.428) 8.703 10.675 ( 0.000 -5.514 6.480) 8.508 10.988 ( 0.000 -2.825 -6.505) 7.092 11.247 ( 0.000 -5.361 -8.956) 10.438 11.438 ( 0.000 0.215 -13.550) 13.552 11.548 ( 0.000 -1.238 -10.832) 10.903 11.794 ( 0.000 -9.575 -9.579) 13.544 11.997 ( 0.000 2.280 11.365) 11.592 12.309 ( 0.000 9.509 -6.319) 11.417 12.483 ( 0.000 -7.196 -0.872) 7.249 12.609 ( 0.000 1.111 -18.126) 18.160 12.798 ( 0.000 -14.663 -0.910) 14.692 13.129 ( 0.000 -13.944 -3.014) 14.266 13.194 ( 0.000 -3.837 13.718) 14.244 13.229 ( 0.000 3.669 -8.179) 8.964 13.458 ( 0.000 -17.857 8.876) 19.941 13.736 ( 0.000 -10.802 6.561) 12.639 14.122 ( 0.000 4.303 2.816) 5.142 14.126 ( 0.000 -3.510 10.834) 11.388 14.313 ( 0.000 5.298 -0.353) 5.310 14.438 ( 0.000 2.965 -10.929) 11.324 14.819 ( 0.000 9.566 0.174) 9.567 14.889 ( 0.000 2.691 12.349) 12.639 14.901 ( 0.000 2.131 -10.878) 11.084 15.359 ( 0.000 8.753 -5.394) 10.282 15.504 ( 0.000 -1.932 -8.702) 8.914 15.509 ( 0.000 12.282 -11.651) 16.929 15.730 ( 0.000 -0.558 -24.712) 24.718 15.795 ( 0.000 4.768 -14.638) 15.395 15.860 ( 0.000 -2.230 -10.921) 11.147 15.928 ( 0.000 -1.794 1.668) 2.449 16.268 ( 0.000 10.436 1.231) 10.509 16.275 ( 0.000 7.739 -1.335) 7.853 16.706 ( 0.000 2.468 2.398) 3.441 16.895 ( 0.000 -17.137 -0.570) 17.147 17.167 ( 0.000 -9.494 11.957) 15.268 17.288 ( 0.000 -12.555 -0.204) 12.557 17.639 ( 0.000 -6.690 0.069) 6.691 17.909 ( 0.000 -10.699 13.321) 17.085 17.953 ( 0.000 -8.266 -2.417) 8.612 18.237 ( 0.000 -14.806 -1.595) 14.892 18.435 ( 0.000 9.171 0.039) 9.171 18.672 ( 0.000 -2.741 5.689) 6.315 18.973 ( 0.000 2.650 -7.744) 8.185 19.182 ( 0.000 6.470 -11.721) 13.388 19.692 ( 0.000 6.389 0.329) 6.397 19.722 ( 0.000 2.217 -0.386) 2.251 19.949 ( 0.000 5.513 3.284) 6.417 20.326 ( 0.000 18.403 -8.185) 20.141 20.606 ( 0.000 -3.777 4.271) 5.702 20.898 ( 0.000 -20.576 -3.291) 20.837 21.284 ( 0.000 -13.091 -4.305) 13.780 21.676 ( 0.000 -9.250 -15.015) 17.636 22.030 ( 0.000 5.515 8.989) 10.546 22.183 ( 0.000 2.792 -6.490) 7.065 22.342 ( 0.000 2.576 2.022) 3.274 22.549 ( 0.000 -0.303 5.580) 5.588 22.866 ( 0.000 -12.044 20.722) 23.967 22.888 ( 0.000 -9.653 8.067) 12.580 24.244 ( 0.000 14.578 -10.956) 18.236 24.722 ( 0.000 -0.431 -18.282) 18.287 24.790 ( 0.000 18.961 -27.333) 33.266 24.934 ( 0.000 15.378 -18.633) 24.159 29.819 ( 0.000 7.155 15.659) 17.216 29.825 ( 0.000 3.640 15.510) 15.932 30.498 ( 0.000 -15.281 19.122) 24.478 30.877 ( 0.000 -25.083 7.591) 26.206 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.169 ( 5.191 30.006 36.011) 47.160 6.797 ( 7.883 27.096 41.035) 49.802 7.079 ( -1.333 6.400 18.345) 19.475 7.154 ( -12.562 6.749 7.825) 16.266 7.784 ( -5.169 -7.013 8.776) 12.366 7.956 ( 1.278 -5.193 11.168) 12.382 8.105 ( -3.726 4.898 6.348) 8.841 8.231 ( -17.318 4.800 6.223) 19.018 8.605 ( 1.494 25.049 8.732) 26.569 8.812 ( 5.781 3.728 -6.932) 9.766 8.904 ( -4.288 8.072 -18.301) 20.456 9.110 ( 1.456 0.783 -21.580) 21.643 9.460 ( 1.969 6.338 -7.714) 10.177 9.516 ( 6.705 21.593 -8.847) 24.279 10.002 ( 8.603 24.784 10.221) 28.155 10.099 ( 1.714 8.614 5.705) 10.473 10.164 ( 12.191 12.474 10.888) 20.561 10.656 ( -0.414 -5.262 8.914) 10.359 10.693 ( 9.152 6.315 -3.054) 11.531 11.109 ( 4.824 -1.921 -5.646) 7.671 11.226 ( 5.081 -5.606 -8.382) 11.291 11.337 ( -8.529 4.706 -11.316) 14.931 11.579 ( 0.025 -2.706 -9.127) 9.520 11.726 ( -5.855 -4.266 -5.623) 9.171 11.995 ( 0.561 -3.268 3.837) 5.071 12.213 ( -9.942 4.490 -1.816) 11.059 12.370 ( -8.665 -2.266 -0.562) 8.974 12.549 ( -3.818 -1.884 -18.881) 19.355 12.789 ( 0.087 -12.111 -4.828) 13.038 13.091 ( -3.780 -15.685 -4.564) 16.767 13.192 ( 0.631 -3.688 8.948) 9.699 13.279 ( 2.784 -12.371 2.638) 12.952 13.532 ( 6.127 -2.530 1.384) 6.772 13.761 ( 1.805 -5.829 -1.060) 6.194 14.104 ( -0.821 1.744 7.265) 7.516 14.186 ( 3.579 -2.684 5.925) 7.425 14.310 ( 1.064 3.121 -0.154) 3.301 14.428 ( -1.040 3.771 -7.102) 8.108 14.741 ( -5.117 6.179 -3.296) 8.674 14.842 ( -4.373 4.327 -1.491) 6.330 14.986 ( 6.721 2.590 3.148) 7.861 15.383 ( 2.012 8.000 -3.677) 9.031 15.471 ( -0.811 8.299 -7.738) 11.376 15.535 ( -0.689 3.796 -15.769) 16.234 15.667 ( -5.769 4.766 -11.223) 13.489 15.792 ( 1.198 -1.313 -10.599) 10.747 15.851 ( 0.272 -0.651 -13.421) 13.439 16.014 ( 3.413 -2.886 -0.264) 4.477 16.228 ( 1.283 6.607 -3.088) 7.406 16.340 ( 2.688 5.381 -1.380) 6.171 16.713 ( 0.770 0.063 0.877) 1.168 16.876 ( -1.739 -16.664 0.523) 16.762 17.215 ( 3.694 -10.913 10.869) 15.839 17.342 ( 5.623 -4.886 1.713) 7.644 17.617 ( -1.704 -5.200 -1.239) 5.611 17.879 ( -2.481 -7.812 9.986) 12.919 17.928 ( -2.416 -7.472 -4.960) 9.288 18.235 ( -1.359 -11.232 2.556) 11.599 18.290 ( -11.112 6.010 -3.241) 13.042 18.608 ( -6.003 -7.426 2.760) 9.940 18.935 ( -1.443 6.467 -2.288) 7.010 19.181 ( 0.228 0.411 -6.918) 6.934 19.581 ( -5.817 -7.025 0.682) 9.146 19.773 ( -1.563 -3.720 -3.139) 5.112 20.011 ( 8.534 13.218 -1.926) 15.851 20.393 ( 2.587 17.185 -10.039) 20.070 20.653 ( 5.592 -3.368 4.635) 8.006 21.087 ( 15.165 -11.538 0.595) 19.065 21.334 ( 1.335 -6.209 -6.849) 9.341 21.679 ( 1.742 -6.625 -4.067) 7.966 22.002 ( -1.572 3.715 8.613) 9.511 22.195 ( 1.125 3.004 -5.548) 6.409 22.302 ( -3.643 1.693 1.791) 4.398 22.517 ( -3.232 -0.659 5.316) 6.256 22.702 ( -4.936 -10.727 11.002) 16.139 23.021 ( 2.224 -15.120 9.327) 17.904 24.281 ( 4.173 17.071 -11.992) 21.275 24.736 ( 1.248 0.412 -19.105) 19.150 24.780 ( -1.769 16.538 -22.786) 28.210 24.877 ( -4.524 15.017 -19.973) 25.395 29.820 ( 0.387 5.783 15.822) 16.850 29.836 ( 0.673 4.640 15.434) 16.130 30.513 ( 1.552 -15.712 18.160) 24.064 30.822 ( -4.885 -23.637 8.817) 25.696 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.365 ( 13.472 21.273 28.033) 37.681 6.719 ( -18.270 11.855 19.953) 29.538 7.036 ( 7.522 21.887 37.908) 44.414 7.112 ( 0.595 7.455 24.110) 25.243 7.705 ( -1.274 -5.857 1.700) 6.230 7.819 ( -12.504 6.367 5.508) 15.074 7.999 ( 1.452 0.723 10.457) 10.582 8.062 ( -4.317 -0.811 10.997) 11.842 8.652 ( 4.101 12.321 -3.239) 13.383 8.768 ( -5.886 7.375 -8.484) 12.689 8.993 ( 7.246 7.752 -13.951) 17.528 9.097 ( -2.542 1.260 -20.730) 20.923 9.496 ( 4.589 18.708 -15.618) 24.799 9.630 ( -4.016 24.968 -7.274) 26.314 10.037 ( 9.295 8.098 9.834) 15.770 10.224 ( -2.684 6.610 10.251) 12.490 10.526 ( 17.239 17.102 16.360) 29.280 10.694 ( 3.105 -0.260 8.160) 8.735 10.824 ( 3.144 11.579 1.109) 12.049 11.085 ( -13.402 8.066 -4.214) 16.200 11.175 ( 7.729 -0.670 -4.442) 8.940 11.414 ( -10.970 3.042 0.908) 11.420 11.500 ( 9.074 -1.651 -3.877) 10.005 11.629 ( -4.952 -1.460 -5.916) 7.852 12.011 ( 3.478 -11.156 -6.510) 13.377 12.103 ( 4.549 -3.912 -10.246) 11.873 12.196 ( -7.977 -6.280 -2.769) 10.523 12.343 ( -14.427 -0.651 -10.739) 17.997 12.867 ( 5.839 -9.582 -7.605) 13.555 12.988 ( -5.333 -13.029 -5.836) 15.240 13.232 ( 3.722 -12.265 8.496) 15.377 13.310 ( -1.671 -13.701 2.470) 14.022 13.661 ( 6.554 1.119 -2.346) 7.051 13.779 ( -2.283 2.426 -6.862) 7.627 14.096 ( 1.557 1.687 -2.328) 3.269 14.177 ( -4.323 -0.301 -6.634) 7.924 14.386 ( 5.123 3.438 4.831) 7.836 14.450 ( 1.356 4.201 10.104) 11.026 14.650 ( -1.267 0.971 -5.255) 5.492 14.727 ( -5.854 1.997 -5.358) 8.183 15.165 ( 9.544 1.562 1.845) 9.845 15.357 ( -7.144 0.688 -2.091) 7.476 15.472 ( 2.501 10.875 -9.423) 14.605 15.546 ( -1.124 8.275 -10.562) 13.465 15.560 ( 0.948 11.696 -6.015) 13.186 15.700 ( -7.598 -0.031 -0.415) 7.610 15.944 ( 5.735 -1.210 -11.668) 13.058 16.028 ( -1.698 -2.149 -7.394) 7.885 16.315 ( 4.951 -1.318 -2.958) 5.915 16.377 ( -0.148 -2.414 -4.151) 4.804 16.743 ( 2.173 -5.841 -1.037) 6.318 16.810 ( -3.932 -13.295 -1.255) 13.921 17.336 ( 7.110 -7.050 11.835) 15.502 17.445 ( -0.451 -0.500 12.388) 12.406 17.628 ( 6.212 -0.199 -10.242) 11.980 17.798 ( -5.712 -2.536 -2.356) 6.679 17.884 ( -0.542 -5.998 -0.747) 6.068 17.989 ( -11.742 4.954 -0.011) 12.744 18.282 ( 4.182 -12.411 0.144) 13.098 18.430 ( -9.046 -7.588 0.047) 11.807 18.991 ( 6.157 0.154 2.970) 6.837 19.138 ( -5.802 -2.375 0.932) 6.338 19.535 ( 3.579 -16.702 -2.720) 17.296 19.673 ( -7.149 -14.253 -4.851) 16.668 20.232 ( 10.020 16.697 -7.213) 20.766 20.381 ( -3.748 16.958 -9.670) 19.878 20.851 ( 12.610 0.284 1.306) 12.681 21.140 ( -12.245 -1.060 -8.473) 14.928 21.495 ( 14.924 1.865 11.355) 18.845 21.709 ( -3.524 3.355 9.808) 10.948 22.047 ( 7.158 -3.965 4.673) 9.423 22.202 ( -5.602 -0.416 1.330) 5.772 22.238 ( 3.288 2.325 -1.721) 4.380 22.374 ( -8.873 -1.011 5.924) 10.716 22.744 ( 7.894 -14.141 -0.411) 16.200 22.944 ( -8.547 -15.937 2.086) 18.204 24.435 ( 9.826 17.792 -13.289) 24.284 24.653 ( -9.569 15.940 -15.474) 24.189 24.771 ( 1.860 4.346 -19.671) 20.231 24.810 ( -1.858 9.714 -22.469) 24.549 29.834 ( 0.723 5.090 15.855) 16.668 29.844 ( -0.065 4.718 15.619) 16.316 30.574 ( 4.392 -17.340 15.442) 23.631 30.694 ( -6.449 -20.365 11.867) 24.437 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.824 ( 0.000 34.499 29.668) 45.502 7.153 ( 0.000 12.344 29.172) 31.676 7.222 ( 0.000 5.738 15.024) 16.082 7.377 ( 0.000 2.199 18.096) 18.229 7.544 ( 0.000 -23.720 16.764) 29.046 7.646 ( 0.000 -14.944 24.351) 28.571 8.237 ( 0.000 9.525 4.084) 10.363 8.443 ( 0.000 -9.616 10.778) 14.444 8.766 ( 0.000 7.423 -5.357) 9.155 8.973 ( 0.000 -10.824 -12.319) 16.399 9.074 ( 0.000 5.161 -12.154) 13.204 9.099 ( 0.000 1.093 -12.448) 12.496 9.560 ( 0.000 27.739 3.851) 28.006 9.866 ( 0.000 19.118 -12.143) 22.648 10.056 ( 0.000 -12.625 7.584) 14.728 10.199 ( 0.000 1.767 -10.412) 10.560 10.468 ( 0.000 -1.285 -5.078) 5.238 10.594 ( 0.000 0.432 -2.022) 2.068 10.849 ( 0.000 35.926 20.689) 41.457 10.990 ( 0.000 2.094 -11.952) 12.134 11.110 ( 0.000 -1.937 -6.340) 6.629 11.508 ( 0.000 -14.910 -4.598) 15.603 11.567 ( 0.000 11.899 -16.314) 20.193 11.837 ( 0.000 19.828 -4.171) 20.262 12.052 ( 0.000 -31.693 -3.764) 31.916 12.094 ( 0.000 5.320 -0.862) 5.389 12.432 ( 0.000 -15.039 -8.319) 17.187 12.548 ( 0.000 9.963 -9.270) 13.609 12.582 ( 0.000 -23.348 -11.186) 25.890 12.680 ( 0.000 -1.558 -11.935) 12.036 13.157 ( 0.000 0.352 10.928) 10.934 13.218 ( 0.000 -3.807 3.187) 4.965 13.401 ( 0.000 4.003 9.938) 10.714 13.528 ( 0.000 -8.514 4.835) 9.791 14.105 ( 0.000 0.941 10.354) 10.396 14.139 ( 0.000 -1.630 6.465) 6.667 14.400 ( 0.000 3.215 -10.517) 10.997 14.448 ( 0.000 -1.416 -13.493) 13.567 14.929 ( 0.000 0.763 -1.137) 1.369 14.929 ( 0.000 1.064 3.109) 3.286 15.052 ( 0.000 12.588 4.199) 13.270 15.294 ( 0.000 -10.281 -2.761) 10.646 15.639 ( 0.000 9.468 -5.207) 10.806 15.721 ( 0.000 6.926 -15.416) 16.900 15.743 ( 0.000 1.898 -16.009) 16.121 15.803 ( 0.000 -1.586 -10.758) 10.875 15.864 ( 0.000 -3.418 1.174) 3.614 15.873 ( 0.000 0.596 -12.548) 12.562 16.224 ( 0.000 -3.292 4.130) 5.281 16.320 ( 0.000 -8.197 8.082) 11.512 16.755 ( 0.000 5.867 -2.183) 6.260 16.914 ( 0.000 -3.599 -0.396) 3.621 17.108 ( 0.000 16.595 3.790) 17.022 17.243 ( 0.000 7.461 -3.835) 8.389 17.507 ( 0.000 -9.193 -0.453) 9.204 17.583 ( 0.000 -17.001 -5.207) 17.781 17.833 ( 0.000 -4.385 14.307) 14.964 17.893 ( 0.000 -13.282 7.338) 15.174 18.544 ( 0.000 3.424 2.132) 4.033 18.615 ( 0.000 -3.385 3.311) 4.735 19.140 ( 0.000 9.972 -7.294) 12.355 19.261 ( 0.000 -0.605 -9.451) 9.470 19.750 ( 0.000 0.550 3.454) 3.498 19.759 ( 0.000 0.168 2.703) 2.708 20.168 ( 0.000 16.257 1.282) 16.307 20.514 ( 0.000 -13.999 -2.642) 14.246 20.603 ( 0.000 2.574 1.421) 2.940 20.637 ( 0.000 2.211 -2.177) 3.103 21.135 ( 0.000 4.501 -11.270) 12.136 21.410 ( 0.000 -16.162 -16.741) 23.270 22.144 ( 0.000 5.481 1.849) 5.784 22.215 ( 0.000 -0.620 -6.847) 6.876 22.417 ( 0.000 4.941 5.531) 7.417 22.536 ( 0.000 -3.451 1.645) 3.823 22.637 ( 0.000 -5.568 23.319) 23.974 22.696 ( 0.000 -7.697 10.340) 12.890 24.509 ( 0.000 10.612 -15.132) 18.482 24.662 ( 0.000 -4.734 -19.131) 19.708 25.093 ( 0.000 8.805 -22.072) 23.763 25.137 ( 0.000 4.269 -20.634) 21.071 29.945 ( 0.000 8.065 16.401) 18.277 30.009 ( 0.000 9.670 14.644) 17.548 30.222 ( 0.000 -9.198 17.320) 19.611 30.411 ( 0.000 -20.004 11.886) 23.269 ======================= Grid point 201 (74/90) ======================= q-point: ( 0.20 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.799 ( -1.502 30.819 26.117) 40.425 7.121 ( -4.288 4.439 17.003) 18.089 7.181 ( -4.925 2.626 13.785) 14.872 7.320 ( -4.118 2.692 27.610) 28.045 7.491 ( 0.249 -10.784 14.895) 18.391 7.713 ( 5.027 -15.291 24.159) 29.030 8.195 ( -4.626 6.715 12.254) 14.719 8.312 ( -11.714 -1.937 18.301) 21.815 8.764 ( 0.917 4.879 -8.080) 9.484 8.924 ( -3.317 -5.579 -14.514) 15.899 9.030 ( -2.887 0.890 -13.300) 13.639 9.069 ( -1.089 0.706 -10.772) 10.850 9.758 ( 13.187 26.049 2.871) 29.337 9.976 ( 8.483 20.842 -14.868) 26.970 10.199 ( 11.633 -10.789 5.479) 16.785 10.311 ( 9.441 -2.683 -6.905) 12.001 10.478 ( -0.538 1.048 0.042) 1.179 10.540 ( -1.724 13.305 -2.271) 13.607 10.907 ( 5.602 9.399 11.330) 15.751 11.052 ( -4.210 -6.732 -8.341) 11.516 11.187 ( 14.652 13.910 -0.167) 20.204 11.465 ( -2.655 -2.091 -12.164) 12.624 11.553 ( -1.956 5.718 -14.375) 15.594 11.822 ( -1.187 19.500 -3.904) 19.922 12.016 ( -3.691 -15.296 -3.878) 16.206 12.081 ( -3.333 -4.402 -4.775) 7.300 12.298 ( -9.674 -11.278 2.908) 15.141 12.430 ( -7.354 -23.090 -9.516) 26.035 12.595 ( 0.428 4.628 -9.448) 10.529 12.665 ( -0.304 -3.530 -13.470) 13.929 13.113 ( -6.851 -3.179 6.394) 9.896 13.149 ( -2.869 -4.858 6.972) 8.969 13.566 ( 9.936 2.541 2.525) 10.563 13.637 ( 10.844 -5.066 3.745) 12.541 14.112 ( -0.954 0.779 8.508) 8.597 14.147 ( -0.372 -2.213 1.867) 2.919 14.372 ( 0.288 3.477 -6.639) 7.500 14.441 ( 0.327 -2.403 -8.359) 8.703 14.851 ( -5.831 4.134 1.505) 7.304 14.902 ( -4.918 0.040 1.207) 5.064 15.114 ( 5.319 10.868 3.303) 12.542 15.355 ( 5.126 -10.661 -3.922) 12.463 15.549 ( -5.299 6.614 -5.805) 10.272 15.666 ( -4.599 -3.751 -10.279) 11.869 15.738 ( 0.292 7.383 -12.998) 14.951 15.842 ( 2.737 0.390 -6.444) 7.012 15.850 ( 0.447 5.662 -12.634) 13.852 15.958 ( 2.833 -2.959 -2.316) 4.706 16.231 ( 1.136 -1.279 0.925) 1.945 16.343 ( 2.619 -8.903 3.914) 10.072 16.634 ( -8.898 4.402 -2.855) 10.330 16.796 ( -8.012 -6.760 -2.513) 10.780 17.205 ( 7.625 14.739 5.802) 17.580 17.421 ( 11.925 9.275 -0.353) 15.111 17.514 ( 1.775 -6.443 -2.452) 7.118 17.687 ( 7.257 -10.856 -5.264) 14.079 17.789 ( -3.933 -5.320 10.999) 12.836 17.870 ( -0.739 -15.331 8.780) 17.682 18.442 ( -9.969 4.465 2.005) 11.106 18.508 ( -8.394 -3.174 1.968) 9.187 19.097 ( -2.239 8.369 -4.782) 9.896 19.199 ( -5.318 -0.138 -5.412) 7.589 19.470 ( -16.346 -0.723 0.945) 16.389 19.609 ( -13.097 -10.881 -2.235) 17.173 20.312 ( 11.563 14.891 -2.133) 18.974 20.536 ( 8.055 -5.788 -1.212) 9.992 20.782 ( 5.874 13.365 -6.557) 16.003 20.950 ( 17.875 -4.436 0.009) 18.417 21.257 ( 11.562 2.380 -4.603) 12.670 21.464 ( 8.137 -13.467 -6.920) 17.188 22.119 ( -2.648 7.263 4.970) 9.191 22.231 ( 1.524 -1.303 -5.703) 6.045 22.348 ( -5.701 2.833 3.570) 7.299 22.456 ( -5.795 -8.892 4.278) 11.444 22.553 ( -5.518 3.134 13.742) 15.137 22.719 ( -1.592 -12.769 9.340) 15.900 24.563 ( 5.048 10.458 -15.514) 19.379 24.702 ( 3.733 -3.637 -19.138) 19.835 25.045 ( -4.460 7.824 -21.106) 22.947 25.080 ( -5.115 4.417 -20.668) 21.745 29.955 ( 0.931 8.509 16.270) 18.384 30.013 ( 0.198 10.525 14.630) 18.023 30.221 ( 0.122 -11.130 17.044) 20.357 30.380 ( -2.780 -19.132 12.443) 22.991 ======================= Grid point 202 (75/90) ======================= q-point: ( 0.40 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.809 ( 3.376 21.462 18.937) 28.821 6.954 ( -9.648 10.910 13.389) 19.783 7.107 ( 0.631 -5.981 12.529) 13.897 7.193 ( -6.545 -9.502 18.685) 21.960 7.656 ( 13.018 7.261 22.268) 26.797 7.859 ( 8.058 -8.587 25.549) 28.132 7.978 ( -14.537 4.808 20.069) 25.243 8.070 ( -9.669 -1.784 23.672) 25.633 8.810 ( 2.995 6.312 -7.805) 10.475 8.871 ( -2.395 5.495 -13.418) 14.696 8.999 ( 0.187 -7.514 -11.894) 14.070 9.030 ( -2.192 -5.528 -13.536) 14.784 10.000 ( 10.040 27.151 -5.184) 29.408 10.172 ( 1.403 20.093 -9.572) 22.301 10.254 ( 1.458 9.879 -0.582) 10.003 10.411 ( -5.958 3.938 2.550) 7.583 10.570 ( 14.463 -1.267 -1.917) 14.644 10.743 ( 14.110 -2.791 6.618) 15.833 10.892 ( -8.161 -3.999 -1.819) 9.269 10.997 ( -1.336 -11.264 3.573) 11.892 11.434 ( 1.344 16.077 -13.762) 21.205 11.498 ( -2.636 8.093 -14.351) 16.685 11.563 ( 16.751 6.117 -4.067) 18.291 11.766 ( -4.351 12.636 -5.438) 14.428 11.860 ( -7.339 -4.256 -11.181) 14.035 11.940 ( -9.235 -0.889 -12.023) 15.186 12.182 ( 0.039 -8.118 13.425) 15.689 12.269 ( -7.099 -19.423 3.072) 20.907 12.668 ( 5.171 1.477 -11.568) 12.757 12.688 ( 2.050 -2.051 -13.544) 13.851 12.965 ( -4.439 -11.796 5.289) 13.668 13.028 ( -7.596 -15.063 5.326) 17.691 13.774 ( 9.389 7.973 -0.297) 12.321 13.865 ( 5.951 2.993 -3.176) 7.380 14.037 ( -3.094 -3.945 -0.902) 5.094 14.097 ( -4.203 -6.116 -3.355) 8.145 14.467 ( 7.465 4.221 1.866) 8.777 14.517 ( 6.446 0.522 3.059) 7.154 14.680 ( -8.807 2.282 1.062) 9.160 14.736 ( -9.630 -1.864 1.962) 10.003 15.262 ( 8.072 9.165 1.602) 12.318 15.410 ( -3.970 4.257 -5.392) 7.934 15.503 ( 2.777 -6.903 -1.877) 7.674 15.572 ( -3.737 -6.202 -6.052) 9.437 15.760 ( 2.325 9.569 -8.712) 13.148 15.829 ( -2.921 9.903 -4.506) 11.266 15.906 ( 3.468 -3.991 -12.506) 13.578 15.968 ( -1.620 -4.363 -7.723) 9.017 16.292 ( 4.558 2.705 -0.388) 5.315 16.398 ( -2.394 4.286 0.741) 4.965 16.495 ( 1.148 -10.228 -5.310) 11.581 16.624 ( -7.796 -10.744 -3.548) 13.741 17.379 ( 8.192 10.408 6.603) 14.800 17.508 ( -2.006 4.055 8.717) 9.821 17.637 ( 1.699 -3.519 -5.289) 6.576 17.685 ( -4.344 -7.264 4.391) 9.534 17.827 ( 12.056 3.841 0.437) 12.661 18.015 ( 12.875 -12.287 2.174) 17.929 18.152 ( -15.756 8.257 0.685) 17.802 18.294 ( -12.025 -6.198 1.759) 13.642 19.067 ( -0.898 7.505 -1.900) 7.794 19.099 ( -3.508 0.373 -1.063) 3.685 19.240 ( -2.230 -10.184 -2.566) 10.737 19.349 ( -9.993 -15.686 -4.377) 19.107 20.575 ( 11.483 15.244 -6.233) 20.078 20.732 ( 1.368 12.059 -9.205) 15.232 20.823 ( 6.387 -1.028 -3.427) 7.321 21.034 ( -7.329 -9.523 -9.187) 15.127 21.632 ( 19.638 9.979 11.098) 24.665 21.778 ( 14.581 -0.552 9.599) 17.466 22.012 ( -6.264 3.422 10.344) 12.568 22.163 ( -10.919 -5.367 10.060) 15.787 22.297 ( 2.335 3.146 -5.560) 6.801 22.371 ( -3.194 -0.889 4.445) 5.545 22.451 ( 0.867 -7.507 -4.043) 8.571 22.601 ( -8.675 -15.157 1.908) 17.568 24.713 ( 8.583 9.310 -16.695) 20.954 24.810 ( 6.009 -0.522 -19.726) 20.628 24.904 ( -8.434 7.340 -18.329) 21.470 24.950 ( -6.566 2.816 -20.732) 21.928 29.981 ( 1.459 9.840 15.834) 18.700 30.008 ( -0.831 11.252 15.082) 18.836 30.242 ( 2.113 -14.768 15.779) 21.715 30.307 ( -3.683 -17.168 13.905) 22.398 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.794 ( 0.000 0.000 43.256) 43.256 6.014 ( 0.000 0.000 48.563) 48.563 6.399 ( 0.000 0.000 -7.445) 7.445 6.898 ( 0.000 0.000 -35.188) 35.188 7.116 ( 0.000 0.000 -9.985) 9.985 7.217 ( 0.000 0.000 -12.719) 12.719 7.840 ( 0.000 0.000 0.286) 0.286 7.856 ( 0.000 0.000 -4.929) 4.929 8.084 ( 0.000 0.000 22.675) 22.675 8.104 ( 0.000 0.000 22.069) 22.069 8.525 ( 0.000 0.000 3.235) 3.235 8.601 ( 0.000 0.000 -25.969) 25.969 8.676 ( 0.000 0.000 -28.043) 28.043 8.713 ( 0.000 0.000 -12.258) 12.258 9.990 ( 0.000 0.000 36.337) 36.337 10.039 ( 0.000 0.000 19.241) 19.241 10.409 ( 0.000 0.000 -15.425) 15.425 10.441 ( 0.000 0.000 -13.012) 13.012 11.308 ( 0.000 0.000 11.705) 11.705 11.481 ( 0.000 0.000 -6.306) 6.306 11.755 ( 0.000 0.000 3.294) 3.294 11.775 ( 0.000 0.000 9.969) 9.969 11.878 ( 0.000 0.000 -7.706) 7.706 11.931 ( 0.000 0.000 -4.094) 4.094 12.238 ( 0.000 0.000 28.417) 28.417 12.341 ( 0.000 0.000 7.794) 7.794 12.402 ( 0.000 0.000 0.465) 0.465 12.656 ( 0.000 0.000 3.461) 3.461 12.876 ( 0.000 0.000 -15.150) 15.150 12.881 ( 0.000 0.000 -10.150) 10.150 13.409 ( 0.000 0.000 5.279) 5.279 13.505 ( 0.000 0.000 24.394) 24.394 13.590 ( 0.000 0.000 -10.844) 10.844 13.689 ( 0.000 0.000 12.159) 12.159 14.196 ( 0.000 0.000 -15.827) 15.827 14.257 ( 0.000 0.000 5.145) 5.145 14.316 ( 0.000 0.000 1.762) 1.762 14.346 ( 0.000 0.000 -5.259) 5.259 14.353 ( 0.000 0.000 -23.926) 23.926 14.441 ( 0.000 0.000 -8.221) 8.221 14.547 ( 0.000 0.000 -0.666) 0.666 14.574 ( 0.000 0.000 -6.077) 6.077 15.045 ( 0.000 0.000 4.362) 4.362 15.237 ( 0.000 0.000 -15.410) 15.410 15.339 ( 0.000 0.000 -5.004) 5.004 15.441 ( 0.000 0.000 -9.796) 9.796 15.476 ( 0.000 0.000 12.670) 12.670 15.691 ( 0.000 0.000 -8.155) 8.155 16.218 ( 0.000 0.000 1.309) 1.309 16.264 ( 0.000 0.000 -2.504) 2.504 17.086 ( 0.000 0.000 16.361) 16.361 17.513 ( 0.000 0.000 -23.131) 23.131 17.675 ( 0.000 0.000 6.880) 6.880 17.787 ( 0.000 0.000 14.310) 14.310 17.833 ( 0.000 0.000 -7.364) 7.364 18.040 ( 0.000 0.000 -9.438) 9.438 18.136 ( 0.000 0.000 4.164) 4.164 18.171 ( 0.000 0.000 1.099) 1.099 18.845 ( 0.000 0.000 -3.065) 3.065 18.857 ( 0.000 0.000 2.293) 2.293 18.893 ( 0.000 0.000 -8.219) 8.219 18.927 ( 0.000 0.000 -4.159) 4.159 19.456 ( 0.000 0.000 7.961) 7.961 19.618 ( 0.000 0.000 -6.770) 6.770 19.787 ( 0.000 0.000 12.840) 12.840 20.027 ( 0.000 0.000 -9.987) 9.987 21.479 ( 0.000 0.000 11.223) 11.223 21.582 ( 0.000 0.000 6.652) 6.652 21.725 ( 0.000 0.000 -7.752) 7.752 21.759 ( 0.000 0.000 -15.938) 15.938 22.119 ( 0.000 0.000 21.351) 21.351 22.283 ( 0.000 0.000 6.153) 6.153 22.458 ( 0.000 0.000 -9.153) 9.153 22.515 ( 0.000 0.000 -14.997) 14.997 22.726 ( 0.000 0.000 17.585) 17.585 23.118 ( 0.000 0.000 -19.406) 19.406 23.141 ( 0.000 0.000 16.246) 16.246 23.467 ( 0.000 0.000 -15.375) 15.375 24.277 ( 0.000 0.000 11.854) 11.854 24.551 ( 0.000 0.000 -15.871) 15.871 29.941 ( 0.000 0.000 7.493) 7.493 29.984 ( 0.000 0.000 3.322) 3.322 31.496 ( 0.000 0.000 16.055) 16.055 31.774 ( 0.000 0.000 -11.267) 11.267 ======================= Grid point 226 (77/90) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.858 ( 5.721 0.000 38.515) 38.938 6.174 ( 14.003 0.000 44.060) 46.232 6.341 ( -5.163 0.000 -3.173) 6.060 6.921 ( 0.121 0.000 -24.565) 24.566 7.178 ( 6.210 0.000 -3.231) 7.000 7.326 ( 8.786 0.000 -14.927) 17.321 7.816 ( -1.487 0.000 1.284) 1.965 7.880 ( 1.442 0.000 -7.306) 7.447 7.972 ( -2.460 0.000 10.281) 10.571 8.256 ( 7.897 0.000 23.783) 25.060 8.297 ( -13.144 0.000 -18.183) 22.436 8.381 ( -11.469 0.000 2.383) 11.714 8.591 ( -10.772 0.000 -14.908) 18.393 8.920 ( 6.802 0.000 -34.059) 34.732 10.114 ( 11.004 0.000 37.852) 39.419 10.135 ( 7.559 0.000 15.039) 16.832 10.411 ( -0.098 0.000 -11.050) 11.051 10.561 ( 9.359 0.000 -8.967) 12.961 11.044 ( -17.034 0.000 6.568) 18.256 11.165 ( -21.554 0.000 -4.103) 21.941 11.716 ( -2.525 0.000 5.138) 5.725 11.821 ( -4.193 0.000 -3.214) 5.283 11.948 ( 7.371 0.000 5.825) 9.395 11.985 ( 2.156 0.000 3.012) 3.704 12.251 ( 3.840 0.000 28.952) 29.206 12.454 ( 8.741 0.000 5.744) 10.459 12.540 ( 12.119 0.000 -3.779) 12.695 12.730 ( 2.641 0.000 7.510) 7.961 12.806 ( -4.387 0.000 -16.376) 16.953 12.896 ( -0.352 0.000 -3.661) 3.678 13.284 ( -10.347 0.000 6.337) 12.134 13.486 ( -9.293 0.000 -12.192) 15.330 13.536 ( 3.081 0.000 14.819) 15.136 13.719 ( 1.579 0.000 9.802) 9.928 13.983 ( -13.897 0.000 -19.771) 24.166 14.141 ( -12.930 0.000 -20.714) 24.418 14.270 ( 0.865 0.000 2.974) 3.097 14.303 ( -0.057 0.000 1.517) 1.518 14.420 ( 4.541 0.000 -4.351) 6.289 14.470 ( 2.397 0.000 -5.910) 6.378 14.560 ( 0.490 0.000 0.418) 0.644 14.628 ( 1.265 0.000 -5.897) 6.031 15.030 ( -1.020 0.000 0.819) 1.308 15.223 ( -3.271 0.000 -17.456) 17.760 15.520 ( 4.137 0.000 11.385) 12.113 15.539 ( 14.965 0.000 -6.464) 16.302 15.579 ( 12.053 0.000 -6.796) 13.837 15.708 ( 1.440 0.000 -6.747) 6.899 16.182 ( -3.233 0.000 1.407) 3.526 16.223 ( -3.531 0.000 -2.129) 4.124 17.099 ( 1.090 0.000 16.448) 16.484 17.429 ( -11.603 0.000 -3.742) 12.191 17.635 ( 1.567 0.000 -4.960) 5.202 17.724 ( 0.566 0.000 3.663) 3.706 17.817 ( -11.622 0.000 -6.936) 13.534 17.996 ( 2.044 0.000 -13.466) 13.620 18.040 ( -5.309 0.000 4.414) 6.904 18.130 ( -5.045 0.000 -3.591) 6.193 18.886 ( 9.729 0.000 12.386) 15.750 18.926 ( 7.621 0.000 8.241) 11.224 19.074 ( 9.651 0.000 -5.192) 10.959 19.162 ( 13.967 0.000 -12.900) 19.012 19.509 ( 4.652 0.000 7.024) 8.424 19.676 ( 4.571 0.000 -7.380) 8.681 19.747 ( -3.293 0.000 11.121) 11.598 19.969 ( -5.285 0.000 -9.683) 11.031 21.512 ( 2.857 0.000 9.538) 9.957 21.583 ( 0.105 0.000 7.039) 7.040 21.717 ( -0.234 0.000 -5.623) 5.628 21.736 ( -2.053 0.000 -12.045) 12.219 22.025 ( -7.417 0.000 17.161) 18.695 22.290 ( -7.696 0.000 1.123) 7.777 22.358 ( 0.748 0.000 -2.832) 2.929 22.518 ( 1.132 0.000 -5.518) 5.633 22.758 ( 0.491 0.000 2.486) 2.534 22.969 ( -11.544 0.000 -14.125) 18.243 23.174 ( 3.044 0.000 12.039) 12.418 23.438 ( -2.660 0.000 -13.208) 13.473 24.390 ( 8.583 0.000 7.522) 11.413 24.584 ( 2.492 0.000 -12.100) 12.353 29.964 ( 1.943 0.000 7.296) 7.551 30.002 ( 1.392 0.000 3.634) 3.891 31.480 ( -1.104 0.000 13.721) 13.766 31.707 ( -5.780 0.000 -8.570) 10.337 ======================= Grid point 227 (78/90) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.016 ( 8.539 0.000 25.568) 26.956 6.197 ( -8.064 0.000 9.330) 12.332 6.526 ( 16.953 0.000 28.686) 33.321 6.822 ( -9.864 0.000 2.615) 10.204 7.361 ( 9.814 0.000 3.598) 10.453 7.484 ( 1.897 0.000 -3.783) 4.232 7.805 ( 2.303 0.000 -3.389) 4.097 7.890 ( -2.012 0.000 -10.387) 10.580 7.985 ( 2.911 0.000 4.885) 5.687 8.091 ( -6.941 0.000 -0.428) 6.955 8.179 ( -3.072 0.000 -6.729) 7.397 8.316 ( -12.872 0.000 -17.277) 21.545 8.511 ( 16.929 0.000 -6.534) 18.146 8.864 ( -12.114 0.000 -29.917) 32.277 10.294 ( 6.406 0.000 6.836) 9.368 10.360 ( 10.264 0.000 35.758) 37.202 10.388 ( -2.460 0.000 -2.154) 3.270 10.616 ( -12.112 0.000 18.120) 21.795 10.807 ( 0.325 0.000 -7.884) 7.891 10.874 ( -1.966 0.000 -9.822) 10.017 11.690 ( 0.437 0.000 5.527) 5.545 11.734 ( -3.483 0.000 2.028) 4.030 11.988 ( 0.229 0.000 12.866) 12.868 12.018 ( -0.531 0.000 8.335) 8.352 12.395 ( 8.377 0.000 12.189) 14.789 12.598 ( -10.440 0.000 -2.266) 10.683 12.680 ( 11.947 0.000 5.368) 13.098 12.813 ( 2.347 0.000 5.313) 5.809 12.815 ( 8.674 0.000 -7.368) 11.380 12.867 ( -2.262 0.000 3.467) 4.139 13.054 ( -6.512 0.000 4.368) 7.841 13.231 ( -13.748 0.000 -11.608) 17.993 13.606 ( 2.383 0.000 -2.206) 3.247 13.663 ( -4.656 0.000 -3.971) 6.120 13.858 ( 1.257 0.000 -14.654) 14.708 13.930 ( -6.114 0.000 -17.430) 18.471 14.288 ( 0.795 0.000 0.879) 1.185 14.301 ( -0.360 0.000 0.505) 0.621 14.499 ( 2.440 0.000 -3.151) 3.985 14.514 ( 1.026 0.000 -3.346) 3.500 14.576 ( 1.553 0.000 3.055) 3.427 14.620 ( -1.774 0.000 0.757) 1.929 15.031 ( 1.873 0.000 -9.069) 9.261 15.116 ( -5.548 0.000 -15.963) 16.900 15.637 ( 6.057 0.000 7.130) 9.355 15.724 ( -1.174 0.000 -1.056) 1.579 15.813 ( 8.322 0.000 -6.500) 10.559 15.825 ( 7.722 0.000 -7.029) 10.442 16.112 ( -1.891 0.000 0.540) 1.966 16.138 ( -3.654 0.000 -1.762) 4.056 17.097 ( -0.725 0.000 10.556) 10.581 17.182 ( -9.019 0.000 4.096) 9.906 17.621 ( -0.499 0.000 -0.867) 1.000 17.696 ( -4.017 0.000 7.766) 8.744 17.790 ( 8.684 0.000 -14.874) 17.223 17.962 ( -5.794 0.000 -16.138) 17.147 17.971 ( -0.661 0.000 0.653) 0.929 18.015 ( -4.463 0.000 -3.326) 5.567 19.120 ( 8.884 0.000 9.941) 13.333 19.156 ( 12.967 0.000 13.948) 19.045 19.219 ( 1.506 0.000 2.179) 2.649 19.326 ( -0.758 0.000 1.896) 2.042 19.642 ( 7.397 0.000 -3.671) 8.258 19.706 ( 1.492 0.000 1.928) 2.438 19.740 ( -0.339 0.000 -8.472) 8.478 19.823 ( -7.697 0.000 -7.588) 10.809 21.589 ( 4.136 0.000 4.471) 6.091 21.600 ( 2.505 0.000 10.571) 10.864 21.675 ( -3.659 0.000 -3.541) 5.092 21.696 ( -4.182 0.000 7.721) 8.781 21.915 ( 1.445 0.000 -0.376) 1.493 22.067 ( -10.242 0.000 -7.564) 12.733 22.451 ( 5.546 0.000 4.364) 7.057 22.541 ( -0.721 0.000 0.279) 0.773 22.722 ( -2.869 0.000 -9.311) 9.743 22.752 ( -6.086 0.000 -9.037) 10.895 23.260 ( 4.705 0.000 2.548) 5.351 23.361 ( -4.469 0.000 -6.896) 8.218 24.557 ( 5.873 0.000 1.388) 6.035 24.619 ( -0.074 0.000 -5.001) 5.002 30.009 ( 1.852 0.000 6.421) 6.683 30.026 ( 0.395 0.000 4.816) 4.832 31.479 ( 1.776 0.000 7.129) 7.347 31.568 ( -6.213 0.000 -1.531) 6.398 ======================= Grid point 230 (79/90) ======================= q-point: ( 0.00 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.115 ( 0.000 29.640 42.379) 51.716 6.118 ( 0.000 10.285 46.372) 47.499 6.718 ( 0.000 29.680 -3.382) 29.872 6.951 ( 0.000 5.482 -30.759) 31.244 7.178 ( 0.000 5.741 -9.605) 11.190 7.345 ( 0.000 11.706 -16.086) 19.894 7.890 ( 0.000 3.139 8.248) 8.825 7.966 ( 0.000 10.339 -3.195) 10.822 8.221 ( 0.000 12.217 10.643) 16.203 8.222 ( 0.000 12.817 17.942) 22.050 8.526 ( 0.000 1.009 4.468) 4.580 8.587 ( 0.000 -5.061 -17.596) 18.309 8.696 ( 0.000 8.490 -23.282) 24.781 8.834 ( 0.000 8.223 -21.610) 23.121 9.998 ( 0.000 -3.987 18.849) 19.266 10.031 ( 0.000 4.610 32.277) 32.604 10.350 ( 0.000 -6.095 -13.314) 14.643 10.420 ( 0.000 -1.523 -10.541) 10.650 11.251 ( 0.000 -5.615 10.249) 11.686 11.353 ( 0.000 -11.386 -2.487) 11.654 11.518 ( 0.000 -14.504 7.385) 16.276 11.734 ( 0.000 -11.381 11.461) 16.151 11.746 ( 0.000 -10.934 -12.023) 16.251 11.915 ( 0.000 -4.247 -4.955) 6.526 12.081 ( 0.000 -1.307 8.039) 8.144 12.242 ( 0.000 -5.489 -5.699) 7.912 12.628 ( 0.000 4.807 23.821) 24.302 12.710 ( 0.000 -7.422 -5.568) 9.278 12.728 ( 0.000 -0.037 -6.322) 6.322 13.004 ( 0.000 16.988 -3.078) 17.265 13.414 ( 0.000 -4.568 15.511) 16.170 13.587 ( 0.000 -3.016 3.578) 4.680 13.688 ( 0.000 15.691 5.485) 16.622 13.810 ( 0.000 11.814 -3.725) 12.387 14.086 ( 0.000 -6.511 -3.346) 7.321 14.189 ( 0.000 -6.817 -3.856) 7.832 14.213 ( 0.000 -6.172 -9.903) 11.668 14.398 ( 0.000 0.637 -14.943) 14.957 14.430 ( 0.000 9.921 1.652) 10.057 14.457 ( 0.000 4.927 -3.567) 6.083 14.752 ( 0.000 13.903 -2.353) 14.101 14.795 ( 0.000 17.170 -6.893) 18.502 15.042 ( 0.000 -0.015 0.870) 0.870 15.138 ( 0.000 -6.724 -8.564) 10.888 15.316 ( 0.000 -1.893 -4.583) 4.959 15.438 ( 0.000 0.223 -10.151) 10.154 15.579 ( 0.000 7.341 5.598) 9.232 15.739 ( 0.000 4.800 -6.840) 8.356 16.115 ( 0.000 -7.509 1.028) 7.579 16.172 ( 0.000 -7.727 -4.059) 8.728 17.195 ( 0.000 5.589 17.097) 17.987 17.604 ( 0.000 2.810 -20.345) 20.538 17.634 ( 0.000 -4.851 7.291) 8.757 17.788 ( 0.000 -4.320 -7.982) 9.077 17.833 ( 0.000 7.591 8.637) 11.498 17.894 ( 0.000 -10.072 3.254) 10.584 18.119 ( 0.000 -2.218 3.409) 4.067 18.156 ( 0.000 -1.803 -1.331) 2.241 18.585 ( 0.000 -15.665 -1.789) 15.767 18.689 ( 0.000 -5.404 -9.479) 10.912 19.012 ( 0.000 1.897 -1.732) 2.569 19.028 ( 0.000 1.873 -2.385) 3.033 19.502 ( 0.000 2.322 7.693) 8.036 19.650 ( 0.000 1.789 -5.873) 6.140 19.785 ( 0.000 2.446 8.299) 8.651 19.954 ( 0.000 -5.197 -7.350) 9.002 21.259 ( 0.000 -15.395 11.453) 19.188 21.525 ( 0.000 -15.833 -14.191) 21.262 21.640 ( 0.000 1.307 2.076) 2.453 21.697 ( 0.000 -5.586 -3.482) 6.583 22.156 ( 0.000 -1.616 13.532) 13.628 22.207 ( 0.000 -6.256 2.489) 6.733 22.374 ( 0.000 -3.277 -1.809) 3.743 22.528 ( 0.000 0.776 -10.156) 10.186 22.917 ( 0.000 17.658 16.479) 24.153 23.243 ( 0.000 14.140 4.315) 14.784 23.383 ( 0.000 17.106 -7.109) 18.525 23.676 ( 0.000 14.904 -17.756) 23.182 24.225 ( 0.000 -3.172 10.490) 10.959 24.484 ( 0.000 -5.591 -15.788) 16.749 29.942 ( 0.000 0.238 7.260) 7.264 29.980 ( 0.000 -0.258 3.583) 3.592 31.401 ( 0.000 -9.186 15.235) 17.790 31.655 ( 0.000 -11.390 -9.716) 14.971 ======================= Grid point 231 (80/90) ======================= q-point: ( 0.20 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.141 ( 5.461 21.670 41.035) 46.726 6.290 ( 11.878 15.854 38.550) 43.342 6.658 ( -5.335 29.289 -0.160) 29.772 6.942 ( -1.483 3.073 -23.283) 23.532 7.256 ( 7.075 6.505 -1.214) 9.687 7.454 ( 8.610 11.313 -15.490) 21.025 7.888 ( 0.040 4.190 5.574) 6.973 7.980 ( 1.064 9.997 -4.229) 10.906 8.074 ( -4.998 11.207 6.480) 13.877 8.325 ( -10.973 2.566 -17.615) 20.912 8.365 ( -6.108 7.658 12.661) 16.008 8.415 ( 1.294 6.050 6.847) 9.228 8.632 ( -10.755 4.046 -16.283) 19.929 8.957 ( 5.383 3.902 -31.347) 32.044 10.086 ( 8.013 -2.634 18.299) 20.149 10.161 ( 10.161 2.943 29.495) 31.334 10.361 ( 1.961 -4.581 -8.185) 9.583 10.546 ( 9.464 -0.891 -6.860) 11.722 11.031 ( -13.418 -1.140 5.274) 14.462 11.144 ( -17.449 -2.007 -5.235) 18.327 11.553 ( 0.272 -13.077 9.351) 16.079 11.741 ( -3.759 -7.202 -3.299) 8.768 11.850 ( 11.869 -19.646 9.860) 24.981 11.943 ( 2.376 -4.356 0.696) 5.010 12.061 ( -1.935 0.742 7.854) 8.123 12.296 ( 5.272 -11.258 -6.082) 13.839 12.612 ( -5.790 -11.854 0.518) 13.202 12.679 ( -2.485 -10.098 -1.613) 10.523 12.812 ( 9.567 14.785 6.208) 18.673 12.992 ( -0.469 12.904 5.038) 13.861 13.444 ( -4.504 4.804 5.629) 8.663 13.513 ( 0.885 -1.526 6.763) 6.990 13.643 ( -6.393 10.746 -1.096) 12.552 13.780 ( -1.869 8.432 2.435) 8.973 13.945 ( -10.998 -2.566 -15.666) 19.312 14.053 ( -7.554 -5.867 -10.118) 13.924 14.253 ( 0.575 -2.809 -2.628) 3.890 14.362 ( -1.551 0.790 -11.165) 11.300 14.433 ( 2.135 6.580 2.317) 7.295 14.501 ( 2.563 4.967 -3.039) 6.362 14.710 ( -1.600 10.986 0.656) 11.122 14.782 ( -1.922 13.558 -6.407) 15.118 15.035 ( -0.482 0.527 -1.619) 1.769 15.167 ( -0.096 -4.360 -13.182) 13.885 15.469 ( 7.441 -2.308 0.241) 7.795 15.547 ( 12.288 0.185 -6.493) 13.899 15.657 ( 6.865 5.324 0.642) 8.711 15.767 ( 2.776 5.360 -6.027) 8.530 16.124 ( 0.651 -4.317 0.945) 4.467 16.166 ( -0.523 -4.520 -2.686) 5.283 17.155 ( -3.614 1.628 15.858) 16.346 17.430 ( -12.487 -0.939 -1.484) 12.610 17.651 ( 0.854 0.493 -5.433) 5.522 17.727 ( -6.869 -4.424 3.634) 8.942 17.729 ( -4.570 -2.112 -5.819) 7.694 17.888 ( -3.530 -6.210 -7.397) 10.283 18.117 ( -0.397 5.520 3.490) 6.543 18.209 ( 5.805 3.782 -2.334) 7.310 18.630 ( -0.791 -11.655 3.039) 12.070 18.722 ( 8.951 -20.582 -1.965) 22.530 19.064 ( 5.852 -2.159 2.543) 6.736 19.171 ( 5.907 -3.049 -6.021) 8.969 19.567 ( 5.862 3.833 6.311) 9.428 19.670 ( 1.727 3.390 -1.549) 4.108 19.837 ( 4.742 4.629 2.546) 7.099 19.966 ( 1.348 -0.930 -7.521) 7.698 21.251 ( -1.511 -16.980 7.673) 18.694 21.385 ( -9.047 -13.445 -5.003) 16.960 21.700 ( 1.264 -3.143 1.556) 3.728 21.771 ( 8.337 -1.020 -5.359) 9.964 22.115 ( -3.165 2.539 12.730) 13.361 22.246 ( 3.240 -8.475 2.894) 9.524 22.320 ( -5.393 0.296 -0.710) 5.448 22.508 ( -0.231 -1.422 -11.203) 11.296 22.813 ( -7.508 11.237 12.915) 18.693 23.132 ( -14.954 16.695 -16.627) 27.907 23.385 ( 6.554 15.117 13.055) 21.021 23.694 ( -0.624 19.520 -15.932) 25.204 24.332 ( 8.132 -4.619 6.218) 11.231 24.515 ( 2.305 -5.943 -12.352) 13.900 29.962 ( 1.721 -0.003 7.088) 7.294 29.996 ( 1.236 -0.435 3.857) 4.073 31.386 ( -0.987 -9.032 13.087) 15.931 31.593 ( -5.269 -10.835 -7.272) 14.073 ======================= Grid point 232 (81/90) ======================= q-point: ( 0.40 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.310 ( 9.431 25.386 28.665) 39.435 6.504 ( -7.667 27.520 12.270) 31.091 6.579 ( 13.013 8.070 23.085) 27.701 6.834 ( -9.271 2.315 0.691) 9.581 7.465 ( 11.578 7.730 4.683) 14.688 7.612 ( 2.387 10.245 -3.696) 11.150 7.869 ( -0.670 5.274 0.797) 5.375 7.947 ( -4.774 6.222 -0.826) 7.886 8.066 ( 3.420 6.308 -4.690) 8.573 8.147 ( -5.484 2.046 -3.673) 6.910 8.194 ( -1.580 8.325 -7.971) 11.634 8.341 ( -12.623 3.852 -17.524) 21.938 8.631 ( 13.203 9.807 -6.807) 17.800 8.909 ( -9.728 4.211 -25.799) 27.892 10.277 ( 8.391 -1.334 8.404) 11.951 10.359 ( 5.236 0.113 6.994) 8.738 10.433 ( 4.545 4.356 21.982) 22.866 10.642 ( -7.940 2.384 14.605) 16.794 10.809 ( -2.256 0.865 -6.657) 7.082 10.872 ( -3.444 0.290 -8.575) 9.246 11.566 ( 1.639 -10.674 9.681) 14.503 11.638 ( -4.818 -8.595 5.364) 11.219 11.961 ( 0.728 -3.614 10.377) 11.012 12.011 ( -2.590 -3.723 7.826) 9.045 12.126 ( 12.222 -16.560 -2.181) 20.697 12.355 ( -6.594 -18.448 -14.457) 24.348 12.503 ( 2.511 -10.337 7.428) 12.974 12.609 ( -4.369 -12.789 -0.323) 13.518 12.988 ( 6.048 9.218 11.656) 16.044 13.068 ( 5.966 13.124 1.388) 14.483 13.250 ( -6.179 10.481 7.400) 14.241 13.406 ( -12.786 11.233 -7.433) 18.572 13.635 ( 5.079 1.066 0.513) 5.215 13.711 ( -3.257 5.576 -2.355) 6.873 13.822 ( -0.927 -3.482 -14.485) 14.926 13.888 ( -6.472 -3.416 -16.860) 18.380 14.290 ( 2.727 1.094 0.973) 3.095 14.339 ( -1.412 2.694 -3.656) 4.756 14.493 ( 2.674 2.009 0.300) 3.358 14.528 ( -0.305 1.861 -2.516) 3.145 14.698 ( 0.801 9.871 0.990) 9.953 14.737 ( -2.216 11.223 -2.359) 11.681 15.042 ( 1.712 1.062 -9.919) 10.122 15.110 ( -4.089 -0.449 -15.724) 16.253 15.622 ( 7.204 -1.285 7.624) 10.568 15.724 ( -0.669 0.286 0.154) 0.744 15.807 ( 7.311 -0.608 -5.604) 9.232 15.857 ( 3.155 2.416 -7.029) 8.075 16.142 ( 1.160 2.443 -0.558) 2.761 16.157 ( -0.181 2.145 -1.825) 2.822 17.073 ( -1.671 -3.025 9.211) 9.838 17.172 ( -10.361 -1.504 1.295) 10.549 17.601 ( -0.703 -1.915 0.717) 2.162 17.641 ( -2.866 -4.714 -1.287) 5.665 17.726 ( 2.647 -1.450 -1.762) 3.495 17.797 ( -4.042 -7.451 -6.458) 10.656 18.144 ( 2.737 10.758 -2.070) 11.292 18.225 ( -3.655 11.233 -9.026) 14.866 18.743 ( 9.092 -24.874 12.016) 29.082 18.858 ( 1.136 -28.328 3.780) 28.601 19.152 ( 2.511 -4.592 -0.097) 5.235 19.211 ( -1.554 -6.797 -2.860) 7.537 19.703 ( 4.903 6.240 3.976) 8.876 19.724 ( 2.637 6.110 0.975) 6.726 19.946 ( 4.393 7.387 -3.171) 9.161 19.994 ( 0.173 6.022 -6.523) 8.880 21.189 ( -2.845 -19.325 2.266) 19.664 21.211 ( -5.646 -17.137 -0.176) 18.044 21.785 ( 6.379 0.825 8.950) 11.022 21.899 ( -0.559 -1.827 2.424) 3.087 22.069 ( 2.123 11.744 4.138) 12.631 22.182 ( -6.455 6.177 -1.684) 9.092 22.361 ( 8.139 -10.612 1.117) 13.421 22.525 ( -1.825 -11.058 -11.344) 15.946 22.664 ( -2.973 11.654 4.514) 12.847 22.806 ( -13.200 12.385 -9.060) 20.242 23.529 ( 6.205 19.676 1.650) 20.697 23.639 ( -4.118 20.984 -8.360) 22.960 24.489 ( 5.537 -5.886 0.154) 8.083 24.547 ( -0.056 -6.321 -5.808) 8.584 30.002 ( 1.636 -0.490 6.315) 6.542 30.017 ( 0.351 -0.679 4.898) 4.958 31.386 ( 1.642 -8.980 7.042) 11.530 31.467 ( -5.666 -9.687 -0.865) 11.256 ======================= Grid point 235 (82/90) ======================= q-point: ( 0.00 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.422 ( 0.000 19.392 41.104) 45.449 6.840 ( 0.000 36.711 38.690) 53.335 7.123 ( 0.000 11.155 -21.527) 24.245 7.247 ( 0.000 9.051 15.633) 18.064 7.570 ( 0.000 42.668 -20.938) 47.528 7.651 ( 0.000 17.815 -17.064) 24.669 7.943 ( 0.000 2.778 13.025) 13.318 8.206 ( 0.000 10.979 -2.997) 11.381 8.473 ( 0.000 -4.567 -14.459) 15.163 8.476 ( 0.000 5.455 -8.073) 9.744 8.556 ( 0.000 16.823 12.452) 20.930 8.635 ( 0.000 14.026 11.772) 18.311 8.947 ( 0.000 16.744 -17.099) 23.932 9.032 ( 0.000 11.116 -19.438) 22.392 9.892 ( 0.000 -5.439 16.000) 16.899 10.157 ( 0.000 -11.208 -6.363) 12.888 10.206 ( 0.000 12.347 19.865) 23.390 10.416 ( 0.000 1.829 -5.150) 5.465 11.074 ( 0.000 -12.071 6.481) 13.701 11.093 ( 0.000 -12.547 -0.068) 12.547 11.257 ( 0.000 -9.305 5.518) 10.818 11.474 ( 0.000 -11.953 9.059) 14.997 11.483 ( 0.000 -13.432 -13.643) 19.146 11.752 ( 0.000 -10.316 -11.828) 15.695 12.118 ( 0.000 4.291 3.483) 5.526 12.248 ( 0.000 4.672 -8.492) 9.693 12.453 ( 0.000 -9.376 11.772) 15.050 12.540 ( 0.000 -8.242 -4.781) 9.529 12.967 ( 0.000 7.943 11.294) 13.807 13.257 ( 0.000 -8.725 10.886) 13.951 13.287 ( 0.000 7.436 2.991) 8.015 13.442 ( 0.000 -11.596 -9.959) 15.285 13.862 ( 0.000 -1.521 -1.574) 2.189 13.928 ( 0.000 -6.044 -1.544) 6.238 14.040 ( 0.000 -2.687 4.508) 5.248 14.137 ( 0.000 12.379 2.717) 12.674 14.192 ( 0.000 2.789 -2.888) 4.014 14.432 ( 0.000 5.288 -12.538) 13.608 14.577 ( 0.000 4.553 3.676) 5.851 14.653 ( 0.000 10.169 0.369) 10.176 15.000 ( 0.000 6.123 1.359) 6.272 15.061 ( 0.000 1.639 -7.293) 7.475 15.102 ( 0.000 9.232 -6.367) 11.215 15.125 ( 0.000 12.543 -11.343) 16.912 15.286 ( 0.000 -0.105 -3.017) 3.019 15.446 ( 0.000 1.002 -11.068) 11.113 15.727 ( 0.000 5.727 4.002) 6.986 15.901 ( 0.000 11.478 -6.603) 13.242 16.010 ( 0.000 -6.735 -3.131) 7.427 16.035 ( 0.000 3.128 -1.886) 3.652 17.121 ( 0.000 -12.896 14.809) 19.637 17.378 ( 0.000 -21.567 -5.211) 22.188 17.513 ( 0.000 -7.483 5.081) 9.045 17.577 ( 0.000 -13.697 -3.113) 14.046 17.783 ( 0.000 -5.213 5.090) 7.286 17.984 ( 0.000 -6.428 -9.325) 11.326 18.154 ( 0.000 16.958 6.334) 18.102 18.251 ( 0.000 9.665 -2.677) 10.029 18.354 ( 0.000 -5.427 12.941) 14.033 18.675 ( 0.000 2.478 -14.177) 14.392 18.940 ( 0.000 -7.085 -1.664) 7.278 18.964 ( 0.000 -7.796 -3.037) 8.366 19.546 ( 0.000 4.415 3.927) 5.909 19.647 ( 0.000 -0.406 -4.975) 4.991 19.930 ( 0.000 3.178 0.245) 3.188 19.930 ( 0.000 10.096 -0.289) 10.100 20.945 ( 0.000 -14.428 9.996) 17.553 21.168 ( 0.000 -18.602 -11.335) 21.783 21.518 ( 0.000 -11.339 1.534) 11.442 21.596 ( 0.000 -6.054 -5.949) 8.488 22.092 ( 0.000 -1.996 2.304) 3.048 22.105 ( 0.000 -2.745 -0.790) 2.856 22.394 ( 0.000 3.215 7.897) 8.526 22.549 ( 0.000 1.253 -5.282) 5.429 23.259 ( 0.000 10.007 21.533) 23.745 23.441 ( 0.000 0.963 21.500) 21.522 23.793 ( 0.000 21.427 -27.152) 34.588 23.846 ( 0.000 3.400 -14.759) 15.145 24.323 ( 0.000 13.894 -2.517) 14.120 24.413 ( 0.000 1.517 -10.564) 10.673 29.961 ( 0.000 2.007 6.595) 6.893 29.985 ( 0.000 1.106 4.295) 4.435 31.144 ( 0.000 -15.480 13.170) 20.324 31.340 ( 0.000 -18.760 -5.998) 19.695 ======================= Grid point 236 (83/90) ======================= q-point: ( 0.20 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.462 ( 4.498 15.930 36.839) 40.387 6.942 ( 7.810 37.384 36.311) 52.698 7.022 ( -5.675 7.213 -12.986) 15.902 7.347 ( 4.362 12.269 18.738) 22.818 7.495 ( -4.269 36.162 -16.811) 40.106 7.722 ( 4.171 14.222 -13.384) 19.970 7.956 ( 1.462 4.317 7.840) 9.068 8.228 ( 1.458 11.976 -7.382) 14.144 8.342 ( -10.379 -0.844 -4.937) 11.525 8.414 ( -6.123 19.834 2.975) 20.970 8.455 ( -4.202 3.945 -4.880) 7.552 8.671 ( -1.257 10.639 -1.577) 10.828 8.798 ( -6.200 16.010 -9.367) 19.558 9.098 ( 1.727 10.855 -22.339) 24.897 10.016 ( 9.373 -3.503 12.791) 16.240 10.213 ( 6.333 -3.832 -2.464) 7.801 10.322 ( 10.908 8.057 20.998) 24.996 10.564 ( 10.291 3.584 -2.869) 11.268 10.997 ( -5.425 -3.175 4.214) 7.568 11.080 ( -7.021 -4.498 -7.308) 11.088 11.271 ( 1.118 -13.125 8.774) 15.827 11.444 ( 7.070 -17.018 8.329) 20.223 11.551 ( -0.746 -10.892 -6.860) 12.893 11.755 ( 1.311 -13.033 -9.326) 16.079 12.102 ( -2.128 2.271 2.839) 4.213 12.178 ( -5.630 1.595 -5.290) 7.888 12.392 ( -4.917 -9.657 7.399) 13.122 12.482 ( -4.813 -8.880 -4.886) 11.220 13.016 ( 2.703 1.238 12.055) 12.417 13.200 ( 0.529 5.433 5.984) 8.099 13.375 ( 1.160 -9.457 1.151) 9.597 13.447 ( 3.067 -3.663 -1.920) 5.149 13.746 ( -9.150 -1.875 -0.487) 9.353 13.894 ( -5.582 -3.744 7.618) 10.159 13.931 ( -6.062 -1.235 -15.815) 16.982 14.066 ( -6.400 12.467 -0.131) 14.014 14.250 ( 4.439 2.689 0.847) 5.259 14.415 ( -0.981 7.360 -12.265) 14.337 14.575 ( 0.724 4.443 5.140) 6.833 14.641 ( -1.468 8.231 -1.413) 8.479 14.954 ( -2.195 9.903 2.973) 10.570 15.063 ( -1.615 8.722 -6.382) 10.927 15.081 ( -0.247 7.486 -9.528) 12.119 15.122 ( 1.064 3.831 -11.745) 12.400 15.431 ( 6.736 -1.311 -0.009) 6.863 15.556 ( 11.175 0.519 -8.767) 14.213 15.748 ( 1.508 2.644 3.416) 4.575 15.903 ( -0.055 6.564 -8.015) 10.360 16.072 ( 5.947 0.105 1.086) 6.047 16.121 ( 6.137 3.733 -3.423) 7.957 17.047 ( -5.789 -11.467 12.856) 18.173 17.281 ( -8.527 -16.056 -6.639) 19.354 17.551 ( 1.534 -7.374 5.218) 9.162 17.607 ( 3.059 -12.441 0.705) 12.831 17.696 ( -5.155 -0.325 2.177) 5.605 17.851 ( -10.209 0.357 -8.439) 13.250 18.151 ( 0.519 3.157 9.122) 9.666 18.264 ( 1.120 -8.073 -0.534) 8.168 18.389 ( 1.396 -1.872 4.732) 5.277 18.561 ( -9.314 2.234 -9.980) 13.833 18.979 ( 5.869 -5.404 1.778) 8.174 19.054 ( 4.532 -5.584 -5.584) 9.105 19.627 ( 6.755 2.210 4.183) 8.247 19.743 ( 6.960 0.037 -6.067) 9.233 19.886 ( -1.150 2.382 4.490) 5.211 19.995 ( 2.632 5.530 -5.561) 8.273 20.947 ( -0.255 -12.183 7.918) 14.532 21.136 ( -3.847 -10.839 -10.797) 15.775 21.562 ( 6.155 -9.290 6.803) 13.056 21.704 ( 8.218 -5.301 -5.830) 11.386 22.095 ( 0.771 -2.160 2.892) 3.691 22.117 ( 1.190 -2.767 -0.482) 3.051 22.353 ( -3.749 2.766 6.727) 8.182 22.502 ( -3.729 0.511 -6.361) 7.391 23.066 ( -10.962 8.037 18.212) 22.725 23.406 ( -14.883 2.275 -4.896) 15.832 23.712 ( 9.299 18.767 3.577) 21.248 24.056 ( 6.646 13.075 -21.455) 25.989 24.322 ( 0.934 7.659 0.389) 7.726 24.425 ( 0.815 0.085 -9.861) 9.895 29.975 ( 1.177 1.649 6.509) 6.817 29.996 ( 0.896 0.894 4.452) 4.628 31.133 ( -0.711 -15.266 11.489) 19.119 31.294 ( -4.023 -17.947 -4.152) 18.855 ======================= Grid point 237 (84/90) ======================= q-point: ( 0.40 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.625 ( 10.401 9.289 25.398) 28.975 6.857 ( -9.962 5.507 5.885) 12.814 7.124 ( 8.324 38.630 24.301) 46.390 7.297 ( -7.472 38.977 13.367) 41.878 7.556 ( 9.215 1.553 2.445) 9.660 7.740 ( -4.675 0.295 -3.705) 5.972 7.989 ( 1.902 8.025 3.754) 9.062 8.088 ( -8.334 7.473 -0.254) 11.196 8.293 ( 2.631 14.220 -3.509) 14.881 8.338 ( -1.513 15.944 -4.835) 16.729 8.417 ( 0.161 12.065 -12.200) 17.159 8.494 ( -7.987 10.224 -18.528) 22.619 8.866 ( 7.639 13.835 -6.306) 17.016 9.039 ( -6.930 9.863 -17.778) 21.479 10.253 ( 11.717 -0.663 9.473) 15.082 10.366 ( 4.229 0.660 -1.472) 4.526 10.574 ( 9.771 9.396 21.668) 25.559 10.714 ( -0.198 5.350 7.458) 9.181 10.852 ( -4.714 1.966 -2.490) 5.682 10.900 ( -5.529 1.855 -6.927) 9.055 11.327 ( 3.821 -11.129 11.112) 16.185 11.443 ( -6.490 -8.556 5.967) 12.285 11.687 ( 10.217 -18.127 -1.869) 20.892 11.785 ( 0.198 -14.736 -3.234) 15.088 12.025 ( -3.169 -1.612 -4.276) 5.560 12.062 ( -4.842 -7.056 -8.564) 12.107 12.299 ( -0.888 -9.349 6.842) 11.619 12.376 ( -5.390 -9.800 -0.196) 11.186 13.085 ( 5.076 -2.833 12.294) 13.599 13.205 ( -3.906 -3.793 3.481) 6.462 13.396 ( 4.559 4.132 3.251) 6.959 13.537 ( -6.029 1.345 -9.132) 11.025 13.569 ( 3.722 -5.307 5.337) 8.396 13.716 ( -8.303 -3.521 -4.223) 9.958 13.863 ( -0.930 2.224 -10.782) 11.048 13.918 ( -5.905 10.172 -6.157) 13.276 14.360 ( 5.158 4.324 1.633) 6.926 14.418 ( 0.154 6.827 -3.341) 7.602 14.576 ( -0.837 5.282 1.137) 5.468 14.591 ( -2.435 4.538 -1.590) 5.390 14.956 ( 2.108 12.651 -0.885) 12.856 15.014 ( -2.714 13.689 -4.622) 14.701 15.087 ( 0.967 4.856 -11.180) 12.228 15.119 ( -1.472 3.270 -15.246) 15.663 15.592 ( 8.326 -1.631 8.953) 12.334 15.728 ( -2.540 -0.255 2.855) 3.830 15.794 ( 7.208 -0.708 -5.133) 8.878 15.892 ( -1.670 0.759 -7.145) 7.377 16.203 ( 4.857 3.702 -1.101) 6.205 16.230 ( 2.676 4.647 -3.469) 6.387 16.960 ( -0.284 -8.172 6.842) 10.662 17.069 ( -9.493 -9.702 -2.593) 13.819 17.535 ( -0.353 -3.064 -0.240) 3.094 17.613 ( -6.778 -0.960 -7.187) 9.926 17.670 ( 3.107 -4.098 4.736) 6.991 17.709 ( -0.737 -1.113 2.916) 3.207 18.191 ( 3.557 -11.985 8.879) 15.334 18.276 ( -1.871 -22.000 5.200) 22.684 18.382 ( -1.998 -5.420 -4.474) 7.307 18.394 ( -3.294 2.693 -6.809) 8.029 19.094 ( 3.729 -1.868 0.584) 4.211 19.122 ( 1.200 0.244 -2.342) 2.643 19.776 ( 6.093 -3.797 3.410) 7.949 19.863 ( -1.954 -5.914 3.838) 7.316 19.897 ( 7.147 1.794 -5.684) 9.306 20.007 ( -2.287 1.379 -7.579) 8.036 20.944 ( 1.019 -5.258 3.197) 6.237 21.020 ( -5.761 -2.947 -4.336) 7.789 21.746 ( 8.775 -3.171 9.202) 13.105 21.843 ( 1.399 -2.746 1.939) 3.641 22.158 ( 2.948 -0.621 1.431) 3.336 22.179 ( 7.220 -4.804 0.857) 8.714 22.258 ( -3.264 2.508 3.220) 5.226 22.399 ( -7.135 -1.678 -7.360) 10.387 22.908 ( -1.302 7.117 6.628) 9.812 23.063 ( -14.280 6.867 -6.141) 16.994 23.925 ( 8.991 18.368 1.367) 20.496 24.070 ( -4.162 20.086 -10.369) 22.985 24.384 ( 3.576 -2.474 -4.016) 5.919 24.430 ( -0.692 -2.512 -7.907) 8.325 30.002 ( 1.109 0.932 6.033) 6.204 30.012 ( 0.278 0.622 5.112) 5.157 31.134 ( 1.304 -15.221 6.800) 16.722 31.197 ( -4.335 -16.267 0.727) 16.851 ======================= Grid point 240 (85/90) ======================= q-point: ( 0.00 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.876 ( 0.000 24.493 32.978) 41.078 7.362 ( 0.000 10.883 -6.880) 12.876 7.394 ( 0.000 7.065 14.196) 15.857 7.427 ( 0.000 20.366 18.062) 27.222 7.970 ( 0.000 9.613 10.702) 14.385 8.036 ( 0.000 6.324 2.831) 6.929 8.238 ( 0.000 2.445 8.346) 8.696 8.379 ( 0.000 1.738 -17.263) 17.350 8.466 ( 0.000 18.487 -27.022) 32.741 8.517 ( 0.000 1.495 -9.399) 9.517 8.904 ( 0.000 18.829 12.156) 22.412 8.989 ( 0.000 17.384 3.348) 17.703 9.228 ( 0.000 7.402 -1.342) 7.523 9.272 ( 0.000 10.884 -7.677) 13.319 9.896 ( 0.000 9.256 5.070) 10.554 10.039 ( 0.000 6.908 -7.221) 9.993 10.460 ( 0.000 0.297 0.061) 0.304 10.508 ( 0.000 12.285 4.609) 13.121 10.817 ( 0.000 -9.234 6.078) 11.055 10.888 ( 0.000 -7.474 -2.845) 7.997 11.116 ( 0.000 -6.300 0.400) 6.313 11.285 ( 0.000 -4.338 -13.168) 13.864 11.331 ( 0.000 0.125 7.069) 7.070 11.575 ( 0.000 -4.480 -12.296) 13.087 12.258 ( 0.000 2.778 3.709) 4.634 12.286 ( 0.000 -1.085 10.038) 10.097 12.348 ( 0.000 -5.561 -3.490) 6.565 12.405 ( 0.000 3.370 -8.302) 8.960 12.754 ( 0.000 -23.048 2.502) 23.184 12.963 ( 0.000 -28.586 -11.333) 30.750 13.301 ( 0.000 8.057 13.442) 15.671 13.425 ( 0.000 1.388 7.196) 7.328 13.728 ( 0.000 -9.604 -3.949) 10.384 13.771 ( 0.000 -8.204 4.652) 9.431 14.036 ( 0.000 1.703 -3.627) 4.007 14.200 ( 0.000 -1.323 -7.214) 7.334 14.370 ( 0.000 7.482 8.503) 11.326 14.492 ( 0.000 -2.684 14.889) 15.129 14.700 ( 0.000 8.872 -10.345) 13.628 14.777 ( 0.000 2.498 -5.010) 5.598 15.115 ( 0.000 6.467 6.488) 9.161 15.198 ( 0.000 9.051 -6.719) 11.273 15.243 ( 0.000 0.897 -11.439) 11.474 15.248 ( 0.000 5.007 -10.227) 11.387 15.381 ( 0.000 8.111 -4.066) 9.073 15.510 ( 0.000 4.909 -10.295) 11.405 15.781 ( 0.000 1.396 2.400) 2.777 15.893 ( 0.000 -3.410 -5.851) 6.772 16.250 ( 0.000 21.080 0.920) 21.100 16.293 ( 0.000 17.945 -1.127) 17.980 16.791 ( 0.000 -15.892 6.189) 17.055 16.896 ( 0.000 -24.220 -2.162) 24.317 17.297 ( 0.000 -11.125 1.555) 11.233 17.310 ( 0.000 -10.800 2.115) 11.005 17.703 ( 0.000 -4.030 4.969) 6.398 17.826 ( 0.000 -9.857 -6.719) 11.929 18.219 ( 0.000 -4.506 11.368) 12.228 18.274 ( 0.000 -8.583 3.277) 9.187 18.507 ( 0.000 6.210 5.970) 8.614 18.665 ( 0.000 -4.146 -6.539) 7.742 18.860 ( 0.000 4.388 -1.318) 4.582 18.954 ( 0.000 9.269 -9.228) 13.079 19.691 ( 0.000 8.200 0.038) 8.200 19.705 ( 0.000 5.702 -1.077) 5.802 20.029 ( 0.000 6.403 4.614) 7.893 20.150 ( 0.000 11.868 -7.528) 14.054 20.713 ( 0.000 -7.825 5.733) 9.700 20.823 ( 0.000 -14.247 -4.542) 14.953 21.260 ( 0.000 -13.962 2.741) 14.229 21.402 ( 0.000 -12.669 -10.736) 16.606 22.082 ( 0.000 0.536 -0.841) 0.997 22.089 ( 0.000 0.473 -2.273) 2.321 22.465 ( 0.000 3.328 7.152) 7.888 22.569 ( 0.000 0.434 -2.569) 2.605 23.203 ( 0.000 -10.700 18.451) 21.329 23.285 ( 0.000 -13.015 14.580) 19.544 24.040 ( 0.000 13.424 -8.490) 15.883 24.152 ( 0.000 12.932 -23.349) 26.691 24.573 ( 0.000 11.800 -3.797) 12.396 24.624 ( 0.000 13.161 -9.520) 16.243 30.038 ( 0.000 5.943 5.532) 8.119 30.041 ( 0.000 4.700 5.327) 7.104 30.805 ( 0.000 -17.238 10.678) 20.278 30.934 ( 0.000 -20.437 -1.868) 20.522 ======================= Grid point 241 (86/90) ======================= q-point: ( 0.20 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.832 ( -2.302 20.031 26.973) 33.676 7.184 ( -9.397 8.716 -5.540) 13.963 7.440 ( -0.584 1.747 16.991) 17.091 7.547 ( 8.571 18.724 18.555) 27.719 7.878 ( -8.887 3.232 9.047) 13.088 8.087 ( 5.583 9.880 4.249) 12.118 8.277 ( 0.993 10.330 4.440) 11.287 8.313 ( -6.777 9.238 -0.962) 11.497 8.455 ( 1.422 9.934 -18.190) 20.774 8.532 ( 1.384 6.409 -18.279) 19.420 8.776 ( -9.826 9.902 0.867) 13.977 8.844 ( -6.701 13.390 0.611) 14.985 9.221 ( -0.152 23.115 -1.019) 23.138 9.408 ( 6.040 18.462 -11.092) 22.369 10.020 ( 7.422 6.670 6.598) 11.963 10.155 ( 12.888 1.659 -2.137) 13.169 10.516 ( 8.044 4.654 9.231) 13.099 10.707 ( 12.400 8.225 -3.505) 15.287 10.847 ( 1.655 -8.134 8.023) 11.545 10.974 ( 3.228 -6.711 -9.303) 11.916 11.082 ( -0.377 -4.172 3.130) 5.229 11.240 ( 0.500 -2.592 -4.142) 4.912 11.366 ( 1.711 -4.530 -1.829) 5.176 11.545 ( -2.655 -4.921 -10.828) 12.186 12.155 ( -10.686 -3.531 7.768) 13.675 12.199 ( -8.673 -5.533 1.449) 10.390 12.305 ( -2.244 5.368 -2.643) 6.391 12.372 ( -2.343 4.350 -4.708) 6.824 12.753 ( 0.499 -22.924 3.786) 23.240 12.920 ( -2.818 -28.559 -9.337) 30.178 13.363 ( 3.414 4.312 11.304) 12.571 13.444 ( 2.232 0.102 10.428) 10.665 13.636 ( -7.109 -7.268 -4.279) 11.030 13.792 ( 2.358 -5.154 0.693) 5.710 13.944 ( -7.792 2.152 -5.332) 9.684 14.178 ( -3.807 -1.306 -11.057) 11.767 14.374 ( 2.177 7.580 11.670) 14.085 14.559 ( 4.626 0.519 8.174) 9.406 14.665 ( -1.695 8.512 -2.524) 9.038 14.779 ( -1.707 4.987 -5.422) 7.562 15.080 ( -1.451 6.133 2.206) 6.677 15.166 ( -1.818 4.217 -11.619) 12.493 15.264 ( 1.406 8.082 -6.788) 10.648 15.304 ( 5.212 7.889 -8.591) 12.776 15.438 ( 1.964 2.211 -1.214) 3.197 15.569 ( 7.457 1.049 -9.525) 12.142 15.785 ( 0.171 2.633 4.522) 5.235 15.933 ( 1.353 -1.020 -7.610) 7.796 16.240 ( 0.237 12.462 3.319) 12.898 16.313 ( 1.020 12.393 -2.856) 12.759 16.769 ( -1.636 -14.004 4.820) 14.900 16.865 ( -3.099 -21.445 -2.930) 21.865 17.341 ( 4.403 -10.376 3.173) 11.709 17.374 ( 5.363 -7.906 1.080) 9.614 17.682 ( -1.309 -1.647 4.930) 5.360 17.799 ( -2.138 -5.390 -6.602) 8.787 18.102 ( -8.295 -4.710 9.760) 13.647 18.226 ( -7.187 -4.715 -2.657) 8.997 18.391 ( -7.249 3.208 9.234) 12.170 18.562 ( -7.343 -3.920 -6.300) 10.439 18.933 ( 4.786 2.932 1.690) 5.861 19.022 ( 5.720 2.028 -7.163) 9.389 19.611 ( -5.386 -4.858 2.672) 7.730 19.691 ( -4.230 -4.166 -4.571) 7.493 20.029 ( 3.008 11.698 4.055) 12.741 20.173 ( 1.629 12.808 -9.682) 16.138 20.773 ( 5.098 -5.365 7.288) 10.387 20.955 ( 6.257 -6.887 -10.045) 13.693 21.386 ( 13.110 -7.407 8.505) 17.294 21.561 ( 13.731 -8.522 -7.407) 17.777 22.078 ( 0.013 0.532 0.361) 0.643 22.105 ( 1.621 0.589 -2.787) 3.278 22.410 ( -4.865 2.442 6.369) 8.379 22.509 ( -4.807 -0.224 -3.178) 5.767 23.043 ( -10.950 -8.282 18.257) 22.844 23.235 ( -8.090 -14.490 4.449) 17.181 24.083 ( 5.679 15.845 -4.595) 17.448 24.253 ( 6.975 8.338 -19.036) 21.922 24.557 ( -1.587 10.479 -5.290) 11.846 24.575 ( -4.421 12.730 -7.928) 15.635 30.044 ( 0.542 5.318 5.716) 7.826 30.049 ( 0.651 4.894 5.179) 7.156 30.798 ( -0.460 -17.111 9.564) 19.608 30.903 ( -2.636 -19.710 -0.685) 19.897 ======================= Grid point 242 (87/90) ======================= q-point: ( 0.40 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.843 ( 3.928 12.295 17.086) 21.413 6.989 ( -8.868 7.677 4.241) 12.472 7.444 ( 3.628 -5.372 9.245) 11.291 7.610 ( -9.876 -8.403 -5.453) 14.067 7.801 ( 10.250 22.763 31.513) 40.203 8.064 ( -13.134 20.545 17.786) 30.182 8.227 ( 6.197 16.794 6.630) 19.089 8.305 ( -0.365 11.351 7.518) 13.620 8.496 ( 1.698 6.950 -14.231) 15.928 8.570 ( -2.617 5.065 -12.045) 13.326 8.641 ( 1.103 7.032 -13.160) 14.961 8.723 ( -4.425 13.173 -11.866) 18.273 9.274 ( 4.907 27.382 -2.793) 27.958 9.398 ( -5.256 26.072 -11.889) 29.133 10.268 ( 13.701 2.573 11.636) 18.158 10.399 ( 5.806 3.724 3.051) 7.542 10.685 ( 3.586 -6.005 3.916) 8.016 10.841 ( -10.297 -1.977 -4.028) 11.232 10.882 ( 5.756 5.856 5.347) 9.799 10.926 ( 5.600 9.154 -4.406) 11.600 11.176 ( 6.919 -4.377 4.346) 9.269 11.329 ( -5.710 -6.189 -6.610) 10.705 11.435 ( 9.956 -2.877 -2.935) 10.771 11.508 ( 0.781 -7.579 -7.654) 10.800 11.919 ( -8.572 -10.899 0.656) 13.882 11.956 ( -10.217 -9.876 -3.020) 14.527 12.257 ( -0.742 9.645 4.177) 10.537 12.308 ( -4.139 7.468 1.105) 8.609 12.800 ( 3.736 -22.970 2.165) 23.373 12.871 ( -2.334 -25.718 -3.721) 26.091 13.378 ( 0.101 -7.132 5.032) 8.729 13.441 ( -4.966 -9.627 5.748) 12.263 13.594 ( 5.703 6.522 -0.502) 8.679 13.755 ( -8.843 5.113 0.210) 10.217 13.889 ( 6.526 0.067 -7.406) 9.871 14.045 ( -7.583 1.151 -10.033) 12.628 14.467 ( 5.684 6.502 7.604) 11.507 14.578 ( -3.688 7.396 0.699) 8.294 14.676 ( 2.187 3.863 3.925) 5.925 14.719 ( -2.520 7.172 -1.677) 7.785 15.086 ( 1.714 4.618 -5.453) 7.349 15.130 ( -1.972 3.468 -11.145) 11.838 15.307 ( 2.319 10.894 -4.875) 12.159 15.346 ( -0.921 11.102 -8.470) 13.995 15.568 ( 9.340 0.500 7.243) 11.829 15.719 ( -0.185 -0.251 -0.105) 0.329 15.779 ( 3.331 0.046 -2.591) 4.221 15.893 ( -4.490 -0.294 -6.464) 7.876 16.274 ( 2.327 2.494 0.190) 3.416 16.314 ( -1.098 2.793 -2.995) 4.240 16.745 ( -0.091 -13.420 1.325) 13.485 16.783 ( -3.596 -16.571 -1.779) 17.049 17.471 ( 7.247 -5.248 2.354) 9.252 17.512 ( 6.708 -0.906 -1.841) 7.015 17.642 ( -3.244 -1.724 5.482) 6.599 17.718 ( -6.944 1.285 -3.447) 7.858 17.975 ( -0.802 -5.773 6.992) 9.103 18.048 ( -6.196 -0.361 1.531) 6.392 18.295 ( -1.116 -5.262 2.451) 5.912 18.383 ( -8.148 -3.040 -4.359) 9.728 19.060 ( 6.324 -2.309 3.479) 7.578 19.125 ( 1.938 -2.044 -2.384) 3.690 19.503 ( -2.349 -17.485 0.494) 17.649 19.564 ( -6.363 -15.863 -4.971) 17.800 20.137 ( 5.183 15.925 -1.119) 16.784 20.197 ( -0.280 15.629 -6.730) 17.019 20.888 ( 5.336 -2.527 2.820) 6.543 20.981 ( -2.682 -2.981 -6.345) 7.506 21.732 ( 14.279 3.081 9.986) 17.695 21.836 ( 6.408 2.866 0.898) 7.077 22.120 ( 5.575 -0.782 2.731) 6.257 22.172 ( 4.344 1.224 -1.976) 4.927 22.292 ( -4.404 0.706 4.326) 6.214 22.390 ( -7.248 -0.133 -4.517) 8.541 22.844 ( -3.834 -12.462 9.351) 16.045 22.979 ( -13.248 -13.530 -1.444) 18.991 24.255 ( 9.210 13.866 -2.463) 16.827 24.393 ( 4.819 8.590 -14.850) 17.819 24.446 ( -6.533 10.449 -3.553) 12.825 24.503 ( -3.656 7.649 -8.491) 11.999 30.057 ( 0.546 4.818 5.674) 7.463 30.061 ( 0.256 4.672 5.324) 7.088 30.799 ( 0.870 -17.204 6.465) 18.399 30.840 ( -2.849 -18.205 2.479) 18.593 ======================= Grid point 245 (88/90) ======================= q-point: ( 0.00 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.343 ( 0.000 18.054 19.480) 26.560 7.494 ( 0.000 0.961 7.449) 7.511 7.550 ( 0.000 9.183 14.761) 17.385 7.686 ( 0.000 3.293 3.433) 4.757 8.039 ( 0.000 -0.892 28.291) 28.305 8.127 ( 0.000 -7.576 20.293) 21.661 8.169 ( 0.000 9.047 -4.593) 10.146 8.330 ( 0.000 -5.640 -16.583) 17.516 8.568 ( 0.000 3.692 -13.367) 13.868 8.633 ( 0.000 -0.565 -20.005) 20.013 9.011 ( 0.000 -4.171 4.087) 5.840 9.028 ( 0.000 -6.082 1.755) 6.330 9.642 ( 0.000 21.805 -3.874) 22.146 9.662 ( 0.000 26.465 -0.701) 26.474 10.069 ( 0.000 -1.822 3.880) 4.286 10.213 ( 0.000 -8.217 -1.090) 8.289 10.487 ( 0.000 7.139 4.486) 8.432 10.505 ( 0.000 3.490 -0.652) 3.550 10.781 ( 0.000 -3.010 -7.112) 7.723 10.818 ( 0.000 -3.710 -8.717) 9.474 11.226 ( 0.000 20.698 -6.353) 21.651 11.284 ( 0.000 3.452 -11.377) 11.890 11.427 ( 0.000 8.720 13.919) 16.425 11.683 ( 0.000 13.626 -10.643) 17.290 12.026 ( 0.000 -28.285 3.440) 28.493 12.100 ( 0.000 -13.033 2.180) 13.214 12.214 ( 0.000 -14.379 -9.657) 17.321 12.295 ( 0.000 -15.462 -12.507) 19.887 12.552 ( 0.000 9.383 5.857) 11.061 12.636 ( 0.000 1.263 -0.801) 1.496 13.392 ( 0.000 -2.913 11.064) 11.441 13.404 ( 0.000 -0.806 14.817) 14.839 13.566 ( 0.000 -1.794 -2.695) 3.238 13.630 ( 0.000 -5.221 4.724) 7.041 14.089 ( 0.000 3.329 -9.999) 10.539 14.158 ( 0.000 -2.948 -11.361) 11.738 14.420 ( 0.000 -0.718 13.603) 13.622 14.424 ( 0.000 -2.187 17.540) 17.676 14.821 ( 0.000 2.242 -8.316) 8.613 14.829 ( 0.000 2.716 -9.603) 9.980 15.175 ( 0.000 0.039 -2.305) 2.305 15.187 ( 0.000 -2.101 -8.563) 8.817 15.419 ( 0.000 8.345 -5.013) 9.735 15.425 ( 0.000 9.943 -5.086) 11.168 15.507 ( 0.000 3.698 -4.958) 6.185 15.582 ( 0.000 0.104 -7.870) 7.871 15.815 ( 0.000 1.829 0.642) 1.939 15.849 ( 0.000 -1.537 -2.114) 2.613 16.371 ( 0.000 -6.236 8.314) 10.393 16.461 ( 0.000 -14.961 2.993) 15.258 16.684 ( 0.000 16.590 -1.114) 16.628 16.794 ( 0.000 8.591 -8.357) 11.985 17.196 ( 0.000 4.687 2.833) 5.476 17.218 ( 0.000 5.371 0.116) 5.372 17.509 ( 0.000 -16.527 0.068) 16.527 17.519 ( 0.000 -18.889 -1.270) 18.931 18.119 ( 0.000 -2.352 11.735) 11.968 18.147 ( 0.000 -2.904 12.224) 12.564 18.513 ( 0.000 0.375 -4.071) 4.088 18.573 ( 0.000 -4.617 -7.055) 8.432 19.059 ( 0.000 8.526 0.025) 8.526 19.111 ( 0.000 3.612 -4.708) 5.934 19.796 ( 0.000 1.757 1.031) 2.037 19.796 ( 0.000 1.789 0.908) 2.006 20.240 ( 0.000 14.506 5.938) 15.674 20.400 ( 0.000 7.762 -8.503) 11.513 20.616 ( 0.000 -5.265 0.930) 5.346 20.628 ( 0.000 -1.648 0.527) 1.730 21.000 ( 0.000 -7.832 -0.881) 7.882 21.108 ( 0.000 -14.669 -11.070) 18.377 22.099 ( 0.000 0.746 -2.393) 2.506 22.102 ( 0.000 0.459 -3.013) 3.047 22.521 ( 0.000 2.250 3.581) 4.229 22.559 ( 0.000 -1.403 -0.127) 1.409 23.019 ( 0.000 -4.858 14.319) 15.121 23.050 ( 0.000 -7.802 12.727) 14.928 24.263 ( 0.000 7.225 -7.690) 10.551 24.310 ( 0.000 2.701 -12.925) 13.204 24.777 ( 0.000 6.558 -7.411) 9.896 24.804 ( 0.000 4.043 -9.913) 10.706 30.182 ( 0.000 8.878 6.489) 10.996 30.205 ( 0.000 9.626 4.255) 10.525 30.484 ( 0.000 -12.796 8.109) 15.149 30.550 ( 0.000 -16.318 1.710) 16.407 ======================= Grid point 246 (89/90) ======================= q-point: ( 0.20 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.230 ( -7.895 17.009 14.823) 23.903 7.359 ( -10.609 8.367 3.147) 13.874 7.426 ( -7.984 -2.390 13.702) 16.038 7.616 ( -9.247 -10.391 -2.114) 14.069 7.982 ( 2.092 9.365 28.897) 30.448 8.165 ( 4.543 -7.549 18.635) 20.613 8.323 ( 9.137 11.594 -0.084) 14.762 8.491 ( 8.860 -2.896 -12.700) 15.754 8.517 ( -2.913 4.933 -3.561) 6.745 8.607 ( -3.141 -3.451 -16.035) 16.700 8.904 ( -6.158 5.202 4.862) 9.414 9.003 ( -4.399 -2.240 -0.900) 5.018 9.730 ( 6.759 24.106 -1.246) 25.066 9.816 ( 11.261 19.333 -5.353) 23.005 10.174 ( 8.288 -2.467 -0.254) 8.652 10.232 ( 2.980 -1.982 -3.877) 5.277 10.544 ( 3.996 5.434 7.009) 9.727 10.606 ( 10.352 -2.896 6.182) 12.401 10.823 ( 0.557 -4.711 -9.992) 11.061 10.858 ( 5.576 -4.140 -7.965) 10.568 11.210 ( -2.035 9.456 -7.185) 12.049 11.248 ( -3.020 1.762 -9.504) 10.127 11.454 ( 3.710 17.544 11.213) 21.149 11.674 ( -0.413 16.475 -10.040) 19.297 11.964 ( -9.196 -13.254 2.809) 16.375 12.044 ( -9.962 -6.443 0.533) 11.876 12.170 ( 0.744 -25.667 -8.842) 27.158 12.236 ( -1.502 -27.274 -10.613) 29.305 12.566 ( 1.263 10.432 4.446) 11.410 12.613 ( -0.445 6.928 1.737) 7.156 13.312 ( -6.899 -5.403 10.928) 14.007 13.353 ( -6.553 -8.604 10.123) 14.814 13.612 ( 5.010 4.744 -0.615) 6.928 13.704 ( 6.046 -3.884 0.062) 7.187 14.008 ( -6.081 4.189 -6.348) 9.738 14.107 ( -4.471 -4.962 -9.288) 11.440 14.469 ( 5.213 2.876 14.390) 15.573 14.525 ( 6.889 -2.590 12.373) 14.396 14.803 ( -1.781 4.233 -5.304) 7.015 14.841 ( -0.169 0.712 -7.699) 7.733 15.186 ( 1.312 2.880 -1.762) 3.622 15.214 ( 1.862 0.136 -8.291) 8.499 15.388 ( -1.564 6.153 -4.227) 7.628 15.453 ( -2.780 1.879 -7.650) 8.354 15.499 ( 5.257 6.556 -2.863) 8.877 15.591 ( 2.811 -0.305 -7.407) 7.929 15.859 ( 2.545 3.636 1.774) 4.779 15.913 ( 2.992 -1.507 -2.972) 4.478 16.313 ( -3.930 -2.624 6.698) 8.197 16.426 ( -2.798 -14.789 -0.103) 15.051 16.563 ( -8.743 10.019 0.296) 13.301 16.683 ( -7.831 -1.912 -7.461) 10.984 17.296 ( 7.494 7.678 3.212) 11.199 17.352 ( 8.935 6.394 -2.698) 11.314 17.567 ( 5.776 -10.876 2.588) 12.583 17.607 ( 7.059 -12.738 -2.017) 14.702 18.048 ( -7.970 -1.297 10.012) 12.863 18.068 ( -4.221 -4.754 7.826) 10.083 18.454 ( -7.495 1.100 -0.923) 7.631 18.481 ( -5.739 -2.621 -3.695) 7.312 19.048 ( -0.695 6.655 0.278) 6.697 19.097 ( -1.577 3.012 -4.053) 5.290 19.495 ( -18.427 -3.879 1.864) 18.923 19.550 ( -17.045 -7.914 -3.225) 19.067 20.327 ( 7.291 15.453 4.021) 17.553 20.462 ( 5.345 9.688 -7.358) 13.288 20.690 ( 4.658 -1.536 1.844) 5.240 20.823 ( 5.964 -7.794 -9.157) 13.423 21.290 ( 25.425 -0.803 5.068) 25.938 21.378 ( 24.477 -8.417 -3.151) 26.075 22.102 ( 0.604 1.494 -1.890) 2.483 22.118 ( 1.741 0.192 -3.574) 3.980 22.446 ( -6.573 1.321 3.525) 7.575 22.482 ( -6.295 -2.192 -0.167) 6.668 22.892 ( -11.139 -3.198 13.813) 18.030 22.963 ( -9.198 -9.848 8.002) 15.672 24.320 ( 5.227 7.229 -6.853) 11.249 24.370 ( 5.124 2.199 -11.535) 12.812 24.738 ( -3.524 5.727 -7.584) 10.136 24.755 ( -4.466 4.279 -9.224) 11.106 30.189 ( 0.633 9.132 6.335) 11.132 30.209 ( 0.351 9.915 4.345) 10.831 30.475 ( -0.669 -13.403 7.647) 15.446 30.531 ( -1.694 -16.075 2.282) 16.325 ======================= Grid point 247 (90/90) ======================= q-point: ( 0.40 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.107 ( -2.179 12.974 9.468) 16.208 7.159 ( -6.792 9.172 4.954) 12.442 7.309 ( -1.356 -7.657 7.264) 10.641 7.393 ( -8.787 -12.282 0.929) 15.130 8.120 ( 8.915 11.373 21.910) 26.247 8.293 ( 2.357 -0.451 12.150) 12.385 8.328 ( -2.844 3.126 14.039) 14.662 8.476 ( -7.082 -4.186 6.669) 10.590 8.574 ( 7.971 9.086 -10.014) 15.696 8.690 ( 5.332 3.337 -6.719) 9.203 8.771 ( -4.468 5.909 -3.550) 8.215 8.877 ( -6.872 -0.260 -5.434) 8.765 9.879 ( 6.506 28.250 -2.851) 29.129 9.962 ( 0.288 24.680 -9.558) 26.467 10.308 ( 7.384 -4.818 3.930) 9.653 10.398 ( 3.713 -18.415 -4.575) 19.335 10.598 ( 4.749 15.860 6.835) 17.911 10.766 ( -6.478 4.170 -7.643) 10.852 10.912 ( 14.645 -8.688 7.390) 18.562 11.025 ( 4.945 -11.467 -2.190) 12.678 11.174 ( 3.156 7.201 -6.833) 10.417 11.214 ( 0.550 0.386 -10.062) 10.085 11.518 ( -1.433 5.649 1.957) 6.147 11.648 ( -13.169 -10.831 -6.469) 18.237 11.690 ( -1.506 19.917 -2.864) 20.178 11.770 ( -9.708 3.894 -6.516) 12.323 12.222 ( 2.312 -28.027 -4.747) 28.520 12.244 ( 0.299 -29.973 -6.300) 30.630 12.624 ( 4.609 18.380 6.779) 20.125 12.660 ( 2.984 17.529 4.531) 18.350 13.131 ( -6.910 -15.008 7.663) 18.213 13.168 ( -8.756 -16.111 5.089) 19.030 13.740 ( 6.326 6.983 -0.660) 9.445 13.852 ( 6.598 -3.265 -7.349) 10.402 13.874 ( -5.689 5.713 0.213) 8.065 13.993 ( -5.993 -5.126 -7.178) 10.664 14.596 ( 6.217 5.701 10.019) 13.097 14.674 ( 5.602 -0.639 6.815) 8.845 14.730 ( -4.059 4.093 3.707) 6.853 14.798 ( -3.850 -0.569 -0.067) 3.892 15.224 ( 1.620 8.271 -4.848) 9.723 15.239 ( 0.260 6.756 -7.761) 10.293 15.378 ( 0.873 -2.677 -5.212) 5.924 15.409 ( -1.636 -4.113 -7.271) 8.513 15.658 ( 9.072 5.981 -0.306) 10.871 15.720 ( 8.172 0.217 -4.525) 9.343 15.839 ( -5.616 4.052 1.832) 7.164 15.884 ( -5.564 -0.917 -2.321) 6.098 16.286 ( 1.769 0.479 1.172) 2.175 16.360 ( -4.336 1.541 -5.261) 6.990 16.432 ( -0.291 -10.839 2.064) 11.037 16.521 ( -6.809 -10.236 -5.633) 13.523 17.469 ( 8.837 4.427 3.024) 10.336 17.529 ( 8.092 0.514 -3.213) 8.722 17.640 ( -3.894 1.184 3.397) 5.302 17.691 ( -4.039 -3.418 -1.706) 5.559 17.965 ( 6.063 3.265 7.957) 10.523 18.054 ( 5.642 -3.081 -0.431) 6.443 18.236 ( -10.824 1.894 5.731) 12.393 18.313 ( -10.684 -3.876 -1.019) 11.411 19.047 ( 0.915 2.725 0.159) 2.878 19.072 ( -0.106 -0.836 -1.663) 1.864 19.205 ( -6.898 -10.135 0.103) 12.260 19.256 ( -9.502 -13.058 -4.269) 16.705 20.489 ( 6.447 16.788 -0.976) 18.010 20.552 ( 1.211 16.673 -6.837) 18.060 20.780 ( 4.335 -8.575 0.335) 9.615 20.855 ( -1.777 -9.934 -6.849) 12.196 21.866 ( 22.912 8.552 9.655) 26.293 21.940 ( 23.109 4.211 4.119) 23.847 22.127 ( 1.642 2.870 1.717) 3.726 22.202 ( 6.598 0.771 -4.331) 7.930 22.284 ( -7.162 -1.014 3.852) 8.195 22.357 ( -3.025 -5.588 -4.073) 7.547 22.566 ( -17.594 -7.624 9.979) 21.616 22.662 ( -17.784 -13.723 1.149) 22.493 24.464 ( 7.745 6.279 -6.307) 11.797 24.501 ( 6.670 2.434 -9.400) 11.780 24.628 ( -7.199 5.037 -7.576) 11.601 24.637 ( -5.831 3.903 -8.218) 10.806 30.205 ( 0.762 9.908 5.784) 11.498 30.214 ( -0.038 10.399 4.877) 11.486 30.467 ( 0.220 -14.811 6.110) 16.023 30.490 ( -1.796 -15.640 3.910) 16.221 =================== 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 3/41580 10.0 15694.159 35651.674 26723.657 0.000 0.000 0.000 3/41580 20.0 25010.049 28136.536 25636.577 0.000 0.000 0.000 3/41580 30.0 13734.119 14136.904 13833.860 0.000 0.000 0.000 3/41580 40.0 6205.679 6157.818 6555.304 0.000 0.000 0.000 3/41580 50.0 2813.798 2710.867 3103.224 0.000 0.000 0.000 3/41580 60.0 1402.783 1360.500 1617.423 0.000 0.000 0.000 3/41580 70.0 782.300 782.520 939.675 0.000 0.000 0.000 3/41580 80.0 481.814 501.097 598.947 0.000 0.000 0.000 3/41580 90.0 321.669 347.559 410.975 0.000 0.000 0.000 3/41580 100.0 228.934 255.895 298.801 0.000 0.000 0.000 3/41580 110.0 171.400 197.203 227.416 0.000 0.000 0.000 3/41580 120.0 133.623 157.503 179.543 0.000 0.000 0.000 3/41580 130.0 107.627 129.445 146.023 0.000 0.000 0.000 3/41580 140.0 89.028 108.893 121.696 0.000 0.000 0.000 3/41580 150.0 75.278 93.386 103.499 0.000 0.000 0.000 3/41580 160.0 64.826 81.388 89.533 0.000 0.000 0.000 3/41580 170.0 56.690 71.904 78.575 0.000 0.000 0.000 3/41580 180.0 50.225 64.267 69.811 0.000 0.000 0.000 3/41580 190.0 44.996 58.016 62.684 0.000 0.000 0.000 3/41580 200.0 40.698 52.827 56.800 0.000 0.000 0.000 3/41580 210.0 37.118 48.464 51.880 0.000 0.000 0.000 3/41580 220.0 34.098 44.754 47.718 0.000 0.000 0.000 3/41580 230.0 31.522 41.567 44.159 0.000 0.000 0.000 3/41580 240.0 29.303 38.805 41.088 0.000 0.000 0.000 3/41580 250.0 27.375 36.390 38.415 0.000 0.000 0.000 3/41580 260.0 25.686 34.264 36.070 0.000 0.000 0.000 3/41580 270.0 24.196 32.378 33.999 0.000 0.000 0.000 3/41580 280.0 22.872 30.695 32.157 0.000 0.000 0.000 3/41580 290.0 21.689 29.185 30.511 0.000 0.000 0.000 3/41580 300.0 20.625 27.822 29.030 0.000 0.000 0.000 3/41580 310.0 19.665 26.587 27.692 0.000 0.000 0.000 3/41580 320.0 18.793 25.461 26.477 0.000 0.000 0.000 3/41580 330.0 17.998 24.432 25.369 0.000 0.000 0.000 3/41580 340.0 17.270 23.488 24.355 0.000 0.000 0.000 3/41580 350.0 16.602 22.617 23.423 0.000 0.000 0.000 3/41580 360.0 15.985 21.813 22.564 0.000 0.000 0.000 3/41580 370.0 15.415 21.067 21.769 0.000 0.000 0.000 3/41580 380.0 14.887 20.373 21.032 0.000 0.000 0.000 3/41580 390.0 14.395 19.726 20.346 0.000 0.000 0.000 3/41580 400.0 13.936 19.122 19.706 0.000 0.000 0.000 3/41580 410.0 13.507 18.555 19.108 0.000 0.000 0.000 3/41580 420.0 13.106 18.023 18.547 0.000 0.000 0.000 3/41580 430.0 12.728 17.523 18.020 0.000 0.000 0.000 3/41580 440.0 12.373 17.051 17.524 0.000 0.000 0.000 3/41580 450.0 12.038 16.605 17.057 0.000 0.000 0.000 3/41580 460.0 11.722 16.183 16.615 0.000 0.000 0.000 3/41580 470.0 11.423 15.783 16.197 0.000 0.000 0.000 3/41580 480.0 11.139 15.404 15.801 0.000 0.000 0.000 3/41580 490.0 10.870 15.043 15.425 0.000 0.000 0.000 3/41580 500.0 10.614 14.700 15.067 0.000 0.000 0.000 3/41580 510.0 10.371 14.373 14.727 0.000 0.000 0.000 3/41580 520.0 10.139 14.061 14.402 0.000 0.000 0.000 3/41580 530.0 9.918 13.763 14.092 0.000 0.000 0.000 3/41580 540.0 9.706 13.477 13.796 0.000 0.000 0.000 3/41580 550.0 9.504 13.204 13.513 0.000 0.000 0.000 3/41580 560.0 9.310 12.942 13.242 0.000 0.000 0.000 3/41580 570.0 9.125 12.691 12.982 0.000 0.000 0.000 3/41580 580.0 8.947 12.450 12.733 0.000 0.000 0.000 3/41580 590.0 8.776 12.218 12.493 0.000 0.000 0.000 3/41580 600.0 8.612 11.995 12.263 0.000 0.000 0.000 3/41580 610.0 8.454 11.781 12.041 0.000 0.000 0.000 3/41580 620.0 8.302 11.574 11.828 0.000 0.000 0.000 3/41580 630.0 8.156 11.374 11.622 0.000 0.000 0.000 3/41580 640.0 8.015 11.182 11.424 0.000 0.000 0.000 3/41580 650.0 7.879 10.996 11.233 0.000 0.000 0.000 3/41580 660.0 7.748 10.817 11.048 0.000 0.000 0.000 3/41580 670.0 7.621 10.643 10.869 0.000 0.000 0.000 3/41580 680.0 7.498 10.475 10.697 0.000 0.000 0.000 3/41580 690.0 7.379 10.313 10.530 0.000 0.000 0.000 3/41580 700.0 7.265 10.155 10.368 0.000 0.000 0.000 3/41580 710.0 7.153 10.003 10.211 0.000 0.000 0.000 3/41580 720.0 7.046 9.855 10.059 0.000 0.000 0.000 3/41580 730.0 6.941 9.712 9.912 0.000 0.000 0.000 3/41580 740.0 6.840 9.573 9.769 0.000 0.000 0.000 3/41580 750.0 6.742 9.437 9.631 0.000 0.000 0.000 3/41580 760.0 6.646 9.306 9.496 0.000 0.000 0.000 3/41580 770.0 6.554 9.179 9.365 0.000 0.000 0.000 3/41580 780.0 6.464 9.055 9.238 0.000 0.000 0.000 3/41580 790.0 6.376 8.934 9.114 0.000 0.000 0.000 3/41580 800.0 6.291 8.817 8.994 0.000 0.000 0.000 3/41580 810.0 6.208 8.702 8.877 0.000 0.000 0.000 3/41580 820.0 6.128 8.591 8.763 0.000 0.000 0.000 3/41580 830.0 6.049 8.483 8.652 0.000 0.000 0.000 3/41580 840.0 5.973 8.377 8.544 0.000 0.000 0.000 3/41580 850.0 5.898 8.274 8.439 0.000 0.000 0.000 3/41580 860.0 5.826 8.174 8.336 0.000 0.000 0.000 3/41580 870.0 5.755 8.076 8.236 0.000 0.000 0.000 3/41580 880.0 5.686 7.980 8.138 0.000 0.000 0.000 3/41580 890.0 5.618 7.887 8.042 0.000 0.000 0.000 3/41580 900.0 5.553 7.796 7.949 0.000 0.000 0.000 3/41580 910.0 5.488 7.707 7.858 0.000 0.000 0.000 3/41580 920.0 5.426 7.620 7.769 0.000 0.000 0.000 3/41580 930.0 5.364 7.535 7.682 0.000 0.000 0.000 3/41580 940.0 5.305 7.452 7.597 0.000 0.000 0.000 3/41580 950.0 5.246 7.371 7.514 0.000 0.000 0.000 3/41580 960.0 5.189 7.291 7.433 0.000 0.000 0.000 3/41580 970.0 5.133 7.214 7.354 0.000 0.000 0.000 3/41580 980.0 5.078 7.137 7.276 0.000 0.000 0.000 3/41580 990.0 5.025 7.063 7.200 0.000 0.000 0.000 3/41580 1000.0 4.972 6.990 7.126 0.000 0.000 0.000 3/41580 Thermal conductivity related properties were written into "kappa-m5911.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:27:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|