----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:19:19]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.678422626538715 2.701088562814957 2.427122149999997 b -4.678422626538705 2.701088562814957 2.427122149999997 c 0.000000000000005 -5.402177125629922 2.427122149999997 Atomic positions (fractional): *1 B 0.94161717170357 0.05838282829643 0.50000000000000 10.811 2 B 0.50000000000000 0.94161717170357 0.05838282829643 10.811 3 B 0.05838282829643 0.50000000000000 0.94161717170357 10.811 *4 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 *5 O 0.77410303592783 0.02759467381930 0.62200786259280 15.999 6 O 0.22589696407217 0.37799213740721 0.97240532618070 15.999 7 O 0.37799213740720 0.97240532618070 0.22589696407217 15.999 8 O 0.97240532618070 0.22589696407217 0.37799213740720 15.999 *9 O 0.64889192784976 0.50000000000000 0.35110807215024 15.999 10 O 0.50000000000000 0.35110807215024 0.64889192784976 15.999 11 O 0.35110807215024 0.64889192784976 0.50000000000000 15.999 *12 O 0.90947298419460 0.50000000000000 0.09052701580540 15.999 13 O 0.50000000000000 0.09052701580540 0.90947298419460 15.999 14 O 0.09052701580540 0.90947298419460 0.50000000000000 15.999 15 O 0.02759467381930 0.62200786259280 0.77410303592783 15.999 16 O 0.62200786259280 0.77410303592783 0.02759467381930 15.999 *17 Al 0.55623171555621 0.44376828444379 0.00000000000000 26.982 18 Al 0.00000000000000 0.55623171555621 0.44376828444379 26.982 19 Al 0.44376828444379 0.00000000000000 0.55623171555621 26.982 *20 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.356845253077420 0.000000000000000 0.000000000000000 b -4.678422626538710 8.103265688444880 0.000000000000000 c 0.000000000000000 0.000000000000000 7.281366449999999 Atomic positions (fractional): *1 B 0.44161717170357 0.00000000000000 0.50000000000000 10.811 > 1 2 B 0.00000000000000 0.44161717170357 0.50000000000000 10.811 > 2 3 B 0.55838282829643 0.55838282829643 0.50000000000000 10.811 > 3 *4 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 4 5 B 0.10828383837024 0.33333333333333 0.83333333333333 10.811 > 1 6 B 0.66666666666667 0.77495050503690 0.83333333333333 10.811 > 2 7 B 0.22504949496310 0.89171616162976 0.83333333333333 10.811 > 3 8 B 0.66666666666667 0.33333333333333 0.83333333333333 10.811 > 4 9 B 0.77495050503690 0.66666666666667 0.16666666666667 10.811 > 1 10 B 0.33333333333333 0.10828383837024 0.16666666666667 10.811 > 2 11 B 0.89171616162976 0.22504949496310 0.16666666666667 10.811 > 3 12 B 0.33333333333333 0.66666666666667 0.16666666666667 10.811 > 4 *13 O 0.29953451181452 0.85256066152051 0.47456852411331 15.999 > 5 14 O 0.70046548818548 0.55302614970599 0.52543147588669 15.999 > 6 15 O 0.85256066152051 0.29953451181452 0.52543147588669 15.999 > 7 16 O 0.44697385029401 0.14743933847949 0.52543147588669 15.999 > 8 *17 O 0.14889192784976 0.14889192784976 0.50000000000000 15.999 > 9 18 O 0.00000000000000 0.85110807215024 0.50000000000000 15.999 > 10 19 O 0.85110807215024 0.00000000000000 0.50000000000000 15.999 > 11 *20 O 0.40947298419460 0.40947298419460 0.50000000000000 15.999 > 12 21 O 0.00000000000000 0.59052701580540 0.50000000000000 15.999 > 13 22 O 0.59052701580540 0.00000000000000 0.50000000000000 15.999 > 14 23 O 0.55302614970599 0.70046548818548 0.47456852411331 15.999 > 15 24 O 0.14743933847949 0.44697385029401 0.47456852411331 15.999 > 16 25 O 0.96620117848119 0.18589399485385 0.80790185744664 15.999 > 5 26 O 0.36713215485215 0.88635948303932 0.85876480922002 15.999 > 6 27 O 0.51922732818718 0.63286784514785 0.85876480922002 15.999 > 7 28 O 0.11364051696067 0.48077267181282 0.85876480922002 15.999 > 8 29 O 0.81555859451643 0.48222526118309 0.83333333333333 15.999 > 9 30 O 0.66666666666667 0.18444140548357 0.83333333333333 15.999 > 10 31 O 0.51777473881690 0.33333333333333 0.83333333333333 15.999 > 11 32 O 0.07613965086127 0.74280631752793 0.83333333333333 15.999 > 12 33 O 0.66666666666667 0.92386034913873 0.83333333333333 15.999 > 13 34 O 0.25719368247207 0.33333333333333 0.83333333333333 15.999 > 14 35 O 0.21969281637266 0.03379882151881 0.80790185744664 15.999 > 15 36 O 0.81410600514615 0.78030718362734 0.80790185744664 15.999 > 16 37 O 0.63286784514785 0.51922732818718 0.14123519077998 15.999 > 5 38 O 0.03379882151881 0.21969281637266 0.19209814255336 15.999 > 6 39 O 0.18589399485385 0.96620117848119 0.19209814255336 15.999 > 7 40 O 0.78030718362734 0.81410600514615 0.19209814255336 15.999 > 8 41 O 0.48222526118309 0.81555859451643 0.16666666666667 15.999 > 9 42 O 0.33333333333333 0.51777473881690 0.16666666666667 15.999 > 10 43 O 0.18444140548357 0.66666666666667 0.16666666666667 15.999 > 11 44 O 0.74280631752793 0.07613965086127 0.16666666666667 15.999 > 12 45 O 0.33333333333333 0.25719368247207 0.16666666666667 15.999 > 13 46 O 0.92386034913873 0.66666666666667 0.16666666666667 15.999 > 14 47 O 0.88635948303932 0.36713215485215 0.14123519077998 15.999 > 15 48 O 0.48077267181282 0.11364051696067 0.14123519077998 15.999 > 16 *49 Al 0.22289838222288 0.33333333333333 0.33333333333333 26.982 > 17 50 Al 0.66666666666667 0.88956504888954 0.33333333333333 26.982 > 18 51 Al 0.11043495111046 0.77710161777712 0.33333333333333 26.982 > 19 52 Al 0.88956504888954 0.66666666666667 0.66666666666667 26.982 > 17 53 Al 0.33333333333333 0.22289838222288 0.66666666666667 26.982 > 18 54 Al 0.77710161777712 0.11043495111046 0.66666666666667 26.982 > 19 55 Al 0.55623171555621 0.00000000000000 0.00000000000000 26.982 > 17 56 Al 0.00000000000000 0.55623171555621 0.00000000000000 26.982 > 18 57 Al 0.44376828444379 0.44376828444379 0.00000000000000 26.982 > 19 *58 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 20 59 Nd 0.66666666666667 0.33333333333333 0.33333333333333 144.242 > 20 60 Nd 0.33333333333333 0.66666666666667 0.66666666666667 144.242 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.356845253077420 0.000000000000000 0.000000000000000 b -4.678422626538710 8.103265688444880 0.000000000000000 c 0.000000000000000 0.000000000000000 14.562732899999999 Atomic positions (fractional): *1 B 0.44161717170357 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.44161717170357 0.00000000000000 0.75000000000000 10.811 > 1 3 B 0.00000000000000 0.44161717170357 0.25000000000000 10.811 > 2 4 B 0.00000000000000 0.44161717170357 0.75000000000000 10.811 > 2 5 B 0.55838282829643 0.55838282829643 0.25000000000000 10.811 > 3 6 B 0.55838282829643 0.55838282829643 0.75000000000000 10.811 > 3 *7 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 4 8 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 4 9 B 0.10828383837024 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.10828383837024 0.33333333333333 0.91666666666667 10.811 > 1 11 B 0.66666666666667 0.77495050503690 0.41666666666667 10.811 > 2 12 B 0.66666666666667 0.77495050503690 0.91666666666667 10.811 > 2 13 B 0.22504949496310 0.89171616162976 0.41666666666667 10.811 > 3 14 B 0.22504949496310 0.89171616162976 0.91666666666667 10.811 > 3 15 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 4 16 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 4 17 B 0.77495050503690 0.66666666666667 0.08333333333333 10.811 > 1 18 B 0.77495050503690 0.66666666666667 0.58333333333333 10.811 > 1 19 B 0.33333333333333 0.10828383837024 0.08333333333333 10.811 > 2 20 B 0.33333333333333 0.10828383837024 0.58333333333333 10.811 > 2 21 B 0.89171616162976 0.22504949496310 0.08333333333333 10.811 > 3 22 B 0.89171616162976 0.22504949496310 0.58333333333333 10.811 > 3 23 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 4 24 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 4 *25 O 0.29953451181452 0.85256066152051 0.23728426205665 15.999 > 5 26 O 0.29953451181452 0.85256066152051 0.73728426205665 15.999 > 5 27 O 0.70046548818548 0.55302614970599 0.26271573794335 15.999 > 6 28 O 0.70046548818548 0.55302614970599 0.76271573794335 15.999 > 6 29 O 0.85256066152051 0.29953451181452 0.26271573794335 15.999 > 7 30 O 0.85256066152051 0.29953451181452 0.76271573794335 15.999 > 7 31 O 0.44697385029401 0.14743933847949 0.26271573794335 15.999 > 8 32 O 0.44697385029401 0.14743933847949 0.76271573794335 15.999 > 8 *33 O 0.14889192784976 0.14889192784976 0.25000000000000 15.999 > 9 34 O 0.14889192784976 0.14889192784976 0.75000000000000 15.999 > 9 35 O 0.00000000000000 0.85110807215024 0.25000000000000 15.999 > 10 36 O 0.00000000000000 0.85110807215024 0.75000000000000 15.999 > 10 37 O 0.85110807215024 0.00000000000000 0.25000000000000 15.999 > 11 38 O 0.85110807215024 0.00000000000000 0.75000000000000 15.999 > 11 *39 O 0.40947298419460 0.40947298419460 0.25000000000000 15.999 > 12 40 O 0.40947298419460 0.40947298419460 0.75000000000000 15.999 > 12 41 O 0.00000000000000 0.59052701580540 0.25000000000000 15.999 > 13 42 O 0.00000000000000 0.59052701580540 0.75000000000000 15.999 > 13 43 O 0.59052701580540 0.00000000000000 0.25000000000000 15.999 > 14 44 O 0.59052701580540 0.00000000000000 0.75000000000000 15.999 > 14 45 O 0.55302614970599 0.70046548818548 0.23728426205665 15.999 > 15 46 O 0.55302614970599 0.70046548818548 0.73728426205665 15.999 > 15 47 O 0.14743933847949 0.44697385029401 0.23728426205665 15.999 > 16 48 O 0.14743933847949 0.44697385029401 0.73728426205665 15.999 > 16 49 O 0.96620117848119 0.18589399485385 0.40395092872332 15.999 > 5 50 O 0.96620117848119 0.18589399485385 0.90395092872332 15.999 > 5 51 O 0.36713215485215 0.88635948303932 0.42938240461001 15.999 > 6 52 O 0.36713215485215 0.88635948303932 0.92938240461001 15.999 > 6 53 O 0.51922732818718 0.63286784514785 0.42938240461001 15.999 > 7 54 O 0.51922732818718 0.63286784514785 0.92938240461001 15.999 > 7 55 O 0.11364051696067 0.48077267181282 0.42938240461001 15.999 > 8 56 O 0.11364051696067 0.48077267181282 0.92938240461001 15.999 > 8 57 O 0.81555859451643 0.48222526118309 0.41666666666667 15.999 > 9 58 O 0.81555859451643 0.48222526118309 0.91666666666667 15.999 > 9 59 O 0.66666666666667 0.18444140548357 0.41666666666667 15.999 > 10 60 O 0.66666666666667 0.18444140548357 0.91666666666667 15.999 > 10 61 O 0.51777473881690 0.33333333333333 0.41666666666667 15.999 > 11 62 O 0.51777473881690 0.33333333333333 0.91666666666667 15.999 > 11 63 O 0.07613965086127 0.74280631752793 0.41666666666667 15.999 > 12 64 O 0.07613965086127 0.74280631752793 0.91666666666667 15.999 > 12 65 O 0.66666666666667 0.92386034913873 0.41666666666667 15.999 > 13 66 O 0.66666666666667 0.92386034913873 0.91666666666667 15.999 > 13 67 O 0.25719368247207 0.33333333333333 0.41666666666667 15.999 > 14 68 O 0.25719368247207 0.33333333333333 0.91666666666667 15.999 > 14 69 O 0.21969281637266 0.03379882151881 0.40395092872332 15.999 > 15 70 O 0.21969281637266 0.03379882151881 0.90395092872332 15.999 > 15 71 O 0.81410600514615 0.78030718362734 0.40395092872332 15.999 > 16 72 O 0.81410600514615 0.78030718362734 0.90395092872332 15.999 > 16 73 O 0.63286784514785 0.51922732818718 0.07061759538999 15.999 > 5 74 O 0.63286784514785 0.51922732818718 0.57061759538999 15.999 > 5 75 O 0.03379882151881 0.21969281637266 0.09604907127668 15.999 > 6 76 O 0.03379882151881 0.21969281637266 0.59604907127668 15.999 > 6 77 O 0.18589399485385 0.96620117848119 0.09604907127668 15.999 > 7 78 O 0.18589399485385 0.96620117848119 0.59604907127668 15.999 > 7 79 O 0.78030718362734 0.81410600514615 0.09604907127668 15.999 > 8 80 O 0.78030718362734 0.81410600514615 0.59604907127668 15.999 > 8 81 O 0.48222526118309 0.81555859451643 0.08333333333333 15.999 > 9 82 O 0.48222526118309 0.81555859451643 0.58333333333333 15.999 > 9 83 O 0.33333333333333 0.51777473881690 0.08333333333333 15.999 > 10 84 O 0.33333333333333 0.51777473881690 0.58333333333333 15.999 > 10 85 O 0.18444140548357 0.66666666666667 0.08333333333333 15.999 > 11 86 O 0.18444140548357 0.66666666666667 0.58333333333333 15.999 > 11 87 O 0.74280631752793 0.07613965086127 0.08333333333333 15.999 > 12 88 O 0.74280631752793 0.07613965086127 0.58333333333333 15.999 > 12 89 O 0.33333333333333 0.25719368247207 0.08333333333333 15.999 > 13 90 O 0.33333333333333 0.25719368247207 0.58333333333333 15.999 > 13 91 O 0.92386034913873 0.66666666666667 0.08333333333333 15.999 > 14 92 O 0.92386034913873 0.66666666666667 0.58333333333333 15.999 > 14 93 O 0.88635948303932 0.36713215485215 0.07061759538999 15.999 > 15 94 O 0.88635948303932 0.36713215485215 0.57061759538999 15.999 > 15 95 O 0.48077267181282 0.11364051696067 0.07061759538999 15.999 > 16 96 O 0.48077267181282 0.11364051696067 0.57061759538999 15.999 > 16 *97 Al 0.22289838222288 0.33333333333333 0.16666666666667 26.982 > 17 98 Al 0.22289838222288 0.33333333333333 0.66666666666667 26.982 > 17 99 Al 0.66666666666667 0.88956504888954 0.16666666666667 26.982 > 18 100 Al 0.66666666666667 0.88956504888954 0.66666666666667 26.982 > 18 101 Al 0.11043495111046 0.77710161777712 0.16666666666667 26.982 > 19 102 Al 0.11043495111046 0.77710161777712 0.66666666666667 26.982 > 19 103 Al 0.88956504888954 0.66666666666667 0.33333333333333 26.982 > 17 104 Al 0.88956504888954 0.66666666666667 0.83333333333333 26.982 > 17 105 Al 0.33333333333333 0.22289838222288 0.33333333333333 26.982 > 18 106 Al 0.33333333333333 0.22289838222288 0.83333333333333 26.982 > 18 107 Al 0.77710161777712 0.11043495111046 0.33333333333333 26.982 > 19 108 Al 0.77710161777712 0.11043495111046 0.83333333333333 26.982 > 19 109 Al 0.55623171555621 0.00000000000000 0.00000000000000 26.982 > 17 110 Al 0.55623171555621 0.00000000000000 0.50000000000000 26.982 > 17 111 Al 0.00000000000000 0.55623171555621 0.00000000000000 26.982 > 18 112 Al 0.00000000000000 0.55623171555621 0.50000000000000 26.982 > 18 113 Al 0.44376828444379 0.44376828444379 0.00000000000000 26.982 > 19 114 Al 0.44376828444379 0.44376828444379 0.50000000000000 26.982 > 19 *115 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 20 116 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 20 117 Nd 0.66666666666667 0.33333333333333 0.16666666666667 144.242 > 20 118 Nd 0.66666666666667 0.33333333333333 0.66666666666667 144.242 > 20 119 Nd 0.33333333333333 0.66666666666667 0.33333333333333 144.242 > 20 120 Nd 0.33333333333333 0.66666666666667 0.83333333333333 144.242 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4488625 -0.0000000 0.0000000 0.0000000 3.4488625 0.0000000 0.0000000 0.0000000 3.1393597 -------------------------- Born effective charges -------------------------- 1 B 2.4488570 0.0000000 0.0000000 -0.0000000 3.0029800 0.1922252 0.0000000 -0.0761729 1.1311897 2 B 2.8644493 0.2399423 -0.1664719 0.2399423 2.5873877 -0.0961126 0.0659677 0.0380865 1.1311897 3 B 2.8644493 -0.2399423 0.1664719 -0.2399423 2.5873877 -0.0961126 -0.0659677 0.0380865 1.1311897 4 B 2.8503043 0.0000000 -0.0000000 -0.0000000 2.8503043 0.0000000 0.0000000 0.0000000 1.0720452 5 O -1.7713014 -0.2987543 -0.3911630 -0.3157968 -2.3972576 0.1053282 -0.3760950 0.1329029 -1.5519198 6 O -2.5068770 0.1088880 -0.1043646 0.1259304 -1.6616820 -0.3914212 -0.0729502 -0.3921593 -1.5519198 7 O -1.9746601 -0.4332060 -0.2867984 -0.4161635 -2.1938989 0.2860930 -0.3031448 0.2592564 -1.5519198 8 O -1.7713014 0.2987543 0.3911630 0.3157968 -2.3972576 0.1053282 0.3760950 0.1329029 -1.5519198 9 O -1.7080363 -0.5262718 -0.2254097 -0.5262718 -2.3157226 0.1301404 -0.1718833 0.0992368 -1.4374171 10 O -1.7080363 0.5262718 0.2254097 0.5262718 -2.3157226 0.1301404 0.1718833 0.0992368 -1.4374171 11 O -2.6195657 0.0000000 -0.0000000 -0.0000000 -1.4041931 -0.2602807 0.0000000 -0.1984737 -1.4374171 12 O -1.8551326 -0.3673652 -0.0899948 -0.3673652 -2.2793294 0.0519585 -0.0269832 0.0155787 -1.4133127 13 O -1.8551326 0.3673652 0.0899948 0.3673652 -2.2793294 0.0519585 0.0269832 0.0155787 -1.4133127 14 O -2.4914278 0.0000000 -0.0000000 -0.0000000 -1.6430342 -0.1039171 0.0000000 -0.0311575 -1.4133127 15 O -1.9746601 0.4332060 0.2867984 0.4161635 -2.1938989 0.2860930 0.3031448 0.2592564 -1.5519198 16 O -2.5068770 -0.1088880 0.1043646 -0.1259304 -1.6616820 -0.3914212 0.0729502 -0.3921593 -1.5519198 17 Al 3.1998509 0.0000000 0.0000000 -0.0000000 3.2911753 0.0735613 0.0000000 0.0988149 3.1773541 18 Al 3.2683442 0.0395446 -0.0637060 0.0395446 3.2226820 -0.0367807 -0.0855762 -0.0494074 3.1773541 19 Al 3.2683442 -0.0395446 0.0637060 -0.0395446 3.2226820 -0.0367807 0.0855762 -0.0494074 3.1773541 20 Nd 3.9784090 0.0000000 -0.0000000 -0.0000000 3.9784090 0.0000000 0.0000000 0.0000000 3.8660320 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 13920/13920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 917 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 866 Use submatrix version of eigh solver. (1) Block: 500 / 866 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 866 / 866 (1) 355 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 792 / 792 (1) 282 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1877), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (248, 241), data: True |-- (792, 780), data: False |-- (792, 10), data: (792, 22) @ (22, 10) |-- (292, 282), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (866, 852), data: False |-- (866, 11), data: (866, 25) @ (25, 11) |-- (366, 355), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 400 - Time: 3.345 Solver_block: 200 / 400 - Time: 3.408 Solver_block: 300 / 400 - Time: 3.313 Solver_block: 400 / 400 - Time: 3.315 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.584 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 13920/13920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 917 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 866 Use submatrix version of eigh solver. (1) Block: 500 / 866 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 866 / 866 (1) 355 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 792 / 792 (1) 282 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1877), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (248, 241), data: True |-- (792, 780), data: False |-- (792, 10), data: (792, 22) @ (22, 10) |-- (292, 282), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (866, 852), data: False |-- (866, 11), data: (866, 25) @ (25, 11) |-- (366, 355), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 22:19:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:19:58]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.678422626538715 2.701088562814957 2.427122149999997 b -4.678422626538705 2.701088562814957 2.427122149999997 c 0.000000000000005 -5.402177125629922 2.427122149999997 Atomic positions (fractional): 1 B 0.94161717170357 0.05838282829643 0.50000000000000 10.811 2 B 0.50000000000000 0.94161717170357 0.05838282829643 10.811 3 B 0.05838282829643 0.50000000000000 0.94161717170357 10.811 4 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 5 O 0.77410303592783 0.02759467381930 0.62200786259280 15.999 6 O 0.22589696407217 0.37799213740721 0.97240532618070 15.999 7 O 0.37799213740720 0.97240532618070 0.22589696407217 15.999 8 O 0.97240532618070 0.22589696407217 0.37799213740720 15.999 9 O 0.64889192784976 0.50000000000000 0.35110807215024 15.999 10 O 0.50000000000000 0.35110807215024 0.64889192784976 15.999 11 O 0.35110807215024 0.64889192784976 0.50000000000000 15.999 12 O 0.90947298419460 0.50000000000000 0.09052701580540 15.999 13 O 0.50000000000000 0.09052701580540 0.90947298419460 15.999 14 O 0.09052701580540 0.90947298419460 0.50000000000000 15.999 15 O 0.02759467381930 0.62200786259280 0.77410303592783 15.999 16 O 0.62200786259280 0.77410303592783 0.02759467381930 15.999 17 Al 0.55623171555621 0.44376828444379 0.00000000000000 26.982 18 Al 0.00000000000000 0.55623171555621 0.44376828444379 26.982 19 Al 0.44376828444379 0.00000000000000 0.55623171555621 26.982 20 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.356845253077420 0.000000000000000 0.000000000000000 b -4.678422626538710 8.103265688444880 0.000000000000000 c 0.000000000000000 0.000000000000000 14.562732899999999 Atomic positions (fractional): 1 B 0.44161717170357 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.44161717170357 0.00000000000000 0.75000000000000 10.811 > 1 3 B 0.00000000000000 0.44161717170357 0.25000000000000 10.811 > 3 4 B 0.00000000000000 0.44161717170357 0.75000000000000 10.811 > 3 5 B 0.55838282829643 0.55838282829643 0.25000000000000 10.811 > 5 6 B 0.55838282829643 0.55838282829643 0.75000000000000 10.811 > 5 7 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 7 8 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 7 9 B 0.10828383837024 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.10828383837024 0.33333333333333 0.91666666666667 10.811 > 1 11 B 0.66666666666667 0.77495050503690 0.41666666666667 10.811 > 3 12 B 0.66666666666667 0.77495050503690 0.91666666666667 10.811 > 3 13 B 0.22504949496310 0.89171616162976 0.41666666666667 10.811 > 5 14 B 0.22504949496310 0.89171616162976 0.91666666666667 10.811 > 5 15 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 7 16 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 7 17 B 0.77495050503690 0.66666666666667 0.08333333333333 10.811 > 1 18 B 0.77495050503690 0.66666666666667 0.58333333333333 10.811 > 1 19 B 0.33333333333333 0.10828383837024 0.08333333333333 10.811 > 3 20 B 0.33333333333333 0.10828383837024 0.58333333333333 10.811 > 3 21 B 0.89171616162976 0.22504949496310 0.08333333333333 10.811 > 5 22 B 0.89171616162976 0.22504949496310 0.58333333333333 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 7 24 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 7 25 O 0.29953451181452 0.85256066152051 0.23728426205665 15.999 > 25 26 O 0.29953451181452 0.85256066152051 0.73728426205665 15.999 > 25 27 O 0.70046548818548 0.55302614970599 0.26271573794335 15.999 > 27 28 O 0.70046548818548 0.55302614970599 0.76271573794335 15.999 > 27 29 O 0.85256066152051 0.29953451181452 0.26271573794335 15.999 > 29 30 O 0.85256066152051 0.29953451181452 0.76271573794335 15.999 > 29 31 O 0.44697385029401 0.14743933847949 0.26271573794335 15.999 > 31 32 O 0.44697385029401 0.14743933847949 0.76271573794335 15.999 > 31 33 O 0.14889192784976 0.14889192784976 0.25000000000000 15.999 > 33 34 O 0.14889192784976 0.14889192784976 0.75000000000000 15.999 > 33 35 O 0.00000000000000 0.85110807215024 0.25000000000000 15.999 > 35 36 O 0.00000000000000 0.85110807215024 0.75000000000000 15.999 > 35 37 O 0.85110807215024 0.00000000000000 0.25000000000000 15.999 > 37 38 O 0.85110807215024 0.00000000000000 0.75000000000000 15.999 > 37 39 O 0.40947298419460 0.40947298419460 0.25000000000000 15.999 > 39 40 O 0.40947298419460 0.40947298419460 0.75000000000000 15.999 > 39 41 O 0.00000000000000 0.59052701580540 0.25000000000000 15.999 > 41 42 O 0.00000000000000 0.59052701580540 0.75000000000000 15.999 > 41 43 O 0.59052701580540 0.00000000000000 0.25000000000000 15.999 > 43 44 O 0.59052701580540 0.00000000000000 0.75000000000000 15.999 > 43 45 O 0.55302614970599 0.70046548818548 0.23728426205665 15.999 > 45 46 O 0.55302614970599 0.70046548818548 0.73728426205665 15.999 > 45 47 O 0.14743933847949 0.44697385029401 0.23728426205665 15.999 > 47 48 O 0.14743933847949 0.44697385029401 0.73728426205665 15.999 > 47 49 O 0.96620117848119 0.18589399485385 0.40395092872332 15.999 > 25 50 O 0.96620117848119 0.18589399485385 0.90395092872332 15.999 > 25 51 O 0.36713215485215 0.88635948303932 0.42938240461001 15.999 > 27 52 O 0.36713215485215 0.88635948303932 0.92938240461001 15.999 > 27 53 O 0.51922732818718 0.63286784514785 0.42938240461001 15.999 > 29 54 O 0.51922732818718 0.63286784514785 0.92938240461001 15.999 > 29 55 O 0.11364051696067 0.48077267181282 0.42938240461001 15.999 > 31 56 O 0.11364051696067 0.48077267181282 0.92938240461001 15.999 > 31 57 O 0.81555859451643 0.48222526118309 0.41666666666667 15.999 > 33 58 O 0.81555859451643 0.48222526118309 0.91666666666667 15.999 > 33 59 O 0.66666666666667 0.18444140548357 0.41666666666667 15.999 > 35 60 O 0.66666666666667 0.18444140548357 0.91666666666667 15.999 > 35 61 O 0.51777473881690 0.33333333333333 0.41666666666667 15.999 > 37 62 O 0.51777473881690 0.33333333333333 0.91666666666667 15.999 > 37 63 O 0.07613965086127 0.74280631752793 0.41666666666667 15.999 > 39 64 O 0.07613965086127 0.74280631752793 0.91666666666667 15.999 > 39 65 O 0.66666666666667 0.92386034913873 0.41666666666667 15.999 > 41 66 O 0.66666666666667 0.92386034913873 0.91666666666667 15.999 > 41 67 O 0.25719368247207 0.33333333333333 0.41666666666667 15.999 > 43 68 O 0.25719368247207 0.33333333333333 0.91666666666667 15.999 > 43 69 O 0.21969281637266 0.03379882151881 0.40395092872332 15.999 > 45 70 O 0.21969281637266 0.03379882151881 0.90395092872332 15.999 > 45 71 O 0.81410600514615 0.78030718362734 0.40395092872332 15.999 > 47 72 O 0.81410600514615 0.78030718362734 0.90395092872332 15.999 > 47 73 O 0.63286784514785 0.51922732818718 0.07061759538999 15.999 > 25 74 O 0.63286784514785 0.51922732818718 0.57061759538999 15.999 > 25 75 O 0.03379882151881 0.21969281637266 0.09604907127668 15.999 > 27 76 O 0.03379882151881 0.21969281637266 0.59604907127668 15.999 > 27 77 O 0.18589399485385 0.96620117848119 0.09604907127668 15.999 > 29 78 O 0.18589399485385 0.96620117848119 0.59604907127668 15.999 > 29 79 O 0.78030718362734 0.81410600514615 0.09604907127668 15.999 > 31 80 O 0.78030718362734 0.81410600514615 0.59604907127668 15.999 > 31 81 O 0.48222526118309 0.81555859451643 0.08333333333333 15.999 > 33 82 O 0.48222526118309 0.81555859451643 0.58333333333333 15.999 > 33 83 O 0.33333333333333 0.51777473881690 0.08333333333333 15.999 > 35 84 O 0.33333333333333 0.51777473881690 0.58333333333333 15.999 > 35 85 O 0.18444140548357 0.66666666666667 0.08333333333333 15.999 > 37 86 O 0.18444140548357 0.66666666666667 0.58333333333333 15.999 > 37 87 O 0.74280631752793 0.07613965086127 0.08333333333333 15.999 > 39 88 O 0.74280631752793 0.07613965086127 0.58333333333333 15.999 > 39 89 O 0.33333333333333 0.25719368247207 0.08333333333333 15.999 > 41 90 O 0.33333333333333 0.25719368247207 0.58333333333333 15.999 > 41 91 O 0.92386034913873 0.66666666666667 0.08333333333333 15.999 > 43 92 O 0.92386034913873 0.66666666666667 0.58333333333333 15.999 > 43 93 O 0.88635948303932 0.36713215485215 0.07061759538999 15.999 > 45 94 O 0.88635948303932 0.36713215485215 0.57061759538999 15.999 > 45 95 O 0.48077267181282 0.11364051696067 0.07061759538999 15.999 > 47 96 O 0.48077267181282 0.11364051696067 0.57061759538999 15.999 > 47 97 Al 0.22289838222288 0.33333333333333 0.16666666666667 26.982 > 97 98 Al 0.22289838222288 0.33333333333333 0.66666666666667 26.982 > 97 99 Al 0.66666666666667 0.88956504888954 0.16666666666667 26.982 > 99 100 Al 0.66666666666667 0.88956504888954 0.66666666666667 26.982 > 99 101 Al 0.11043495111046 0.77710161777712 0.16666666666667 26.982 > 101 102 Al 0.11043495111046 0.77710161777712 0.66666666666667 26.982 > 101 103 Al 0.88956504888954 0.66666666666667 0.33333333333333 26.982 > 97 104 Al 0.88956504888954 0.66666666666667 0.83333333333333 26.982 > 97 105 Al 0.33333333333333 0.22289838222288 0.33333333333333 26.982 > 99 106 Al 0.33333333333333 0.22289838222288 0.83333333333333 26.982 > 99 107 Al 0.77710161777712 0.11043495111046 0.33333333333333 26.982 > 101 108 Al 0.77710161777712 0.11043495111046 0.83333333333333 26.982 > 101 109 Al 0.55623171555621 0.00000000000000 0.00000000000000 26.982 > 97 110 Al 0.55623171555621 0.00000000000000 0.50000000000000 26.982 > 97 111 Al 0.00000000000000 0.55623171555621 0.00000000000000 26.982 > 99 112 Al 0.00000000000000 0.55623171555621 0.50000000000000 26.982 > 99 113 Al 0.44376828444379 0.44376828444379 0.00000000000000 26.982 > 101 114 Al 0.44376828444379 0.44376828444379 0.50000000000000 26.982 > 101 115 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 115 116 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 115 117 Nd 0.66666666666667 0.33333333333333 0.16666666666667 144.242 > 115 118 Nd 0.66666666666667 0.33333333333333 0.66666666666667 144.242 > 115 119 Nd 0.33333333333333 0.66666666666667 0.33333333333333 144.242 > 115 120 Nd 0.33333333333333 0.66666666666667 0.83333333333333 144.242 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4488625 -0.0000000 0.0000000 0.0000000 3.4488625 0.0000000 0.0000000 0.0000000 3.1393597 -------------------------- Born effective charges -------------------------- 1 B 2.4488570 0.0000000 0.0000000 -0.0000000 3.0029800 0.1922252 0.0000000 -0.0761729 1.1311897 2 B 2.8644493 0.2399423 -0.1664719 0.2399423 2.5873877 -0.0961126 0.0659677 0.0380865 1.1311897 3 B 2.8644493 -0.2399423 0.1664719 -0.2399423 2.5873877 -0.0961126 -0.0659677 0.0380865 1.1311897 4 B 2.8503043 0.0000000 -0.0000000 -0.0000000 2.8503043 0.0000000 0.0000000 0.0000000 1.0720452 5 O -1.7713014 -0.2987543 -0.3911630 -0.3157968 -2.3972576 0.1053282 -0.3760950 0.1329029 -1.5519198 6 O -2.5068770 0.1088880 -0.1043646 0.1259304 -1.6616820 -0.3914212 -0.0729502 -0.3921593 -1.5519198 7 O -1.9746601 -0.4332060 -0.2867984 -0.4161635 -2.1938989 0.2860930 -0.3031448 0.2592564 -1.5519198 8 O -1.7713014 0.2987543 0.3911630 0.3157968 -2.3972576 0.1053282 0.3760950 0.1329029 -1.5519198 9 O -1.7080363 -0.5262718 -0.2254097 -0.5262718 -2.3157226 0.1301404 -0.1718833 0.0992368 -1.4374171 10 O -1.7080363 0.5262718 0.2254097 0.5262718 -2.3157226 0.1301404 0.1718833 0.0992368 -1.4374171 11 O -2.6195657 0.0000000 -0.0000000 -0.0000000 -1.4041931 -0.2602807 0.0000000 -0.1984737 -1.4374171 12 O -1.8551326 -0.3673652 -0.0899948 -0.3673652 -2.2793294 0.0519585 -0.0269832 0.0155787 -1.4133127 13 O -1.8551326 0.3673652 0.0899948 0.3673652 -2.2793294 0.0519585 0.0269832 0.0155787 -1.4133127 14 O -2.4914278 0.0000000 -0.0000000 -0.0000000 -1.6430342 -0.1039171 0.0000000 -0.0311575 -1.4133127 15 O -1.9746601 0.4332060 0.2867984 0.4161635 -2.1938989 0.2860930 0.3031448 0.2592564 -1.5519198 16 O -2.5068770 -0.1088880 0.1043646 -0.1259304 -1.6616820 -0.3914212 0.0729502 -0.3921593 -1.5519198 17 Al 3.1998509 0.0000000 0.0000000 -0.0000000 3.2911753 0.0735613 0.0000000 0.0988149 3.1773541 18 Al 3.2683442 0.0395446 -0.0637060 0.0395446 3.2226820 -0.0367807 -0.0855762 -0.0494074 3.1773541 19 Al 3.2683442 -0.0395446 0.0637060 -0.0395446 3.2226820 -0.0367807 0.0855762 -0.0494074 3.1773541 20 Nd 3.9784090 0.0000000 -0.0000000 -0.0000000 3.9784090 0.0000000 0.0000000 0.0000000 3.8660320 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 115, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:20:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:20:22]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.678422626538715 2.701088562814957 2.427122149999997 b -4.678422626538705 2.701088562814957 2.427122149999997 c 0.000000000000005 -5.402177125629922 2.427122149999997 Atomic positions (fractional): 1 B 0.94161717170357 0.05838282829643 0.50000000000000 10.811 2 B 0.50000000000000 0.94161717170357 0.05838282829643 10.811 3 B 0.05838282829643 0.50000000000000 0.94161717170357 10.811 4 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 5 O 0.77410303592783 0.02759467381930 0.62200786259280 15.999 6 O 0.22589696407217 0.37799213740721 0.97240532618070 15.999 7 O 0.37799213740720 0.97240532618070 0.22589696407217 15.999 8 O 0.97240532618070 0.22589696407217 0.37799213740720 15.999 9 O 0.64889192784976 0.50000000000000 0.35110807215024 15.999 10 O 0.50000000000000 0.35110807215024 0.64889192784976 15.999 11 O 0.35110807215024 0.64889192784976 0.50000000000000 15.999 12 O 0.90947298419460 0.50000000000000 0.09052701580540 15.999 13 O 0.50000000000000 0.09052701580540 0.90947298419460 15.999 14 O 0.09052701580540 0.90947298419460 0.50000000000000 15.999 15 O 0.02759467381930 0.62200786259280 0.77410303592783 15.999 16 O 0.62200786259280 0.77410303592783 0.02759467381930 15.999 17 Al 0.55623171555621 0.44376828444379 0.00000000000000 26.982 18 Al 0.00000000000000 0.55623171555621 0.44376828444379 26.982 19 Al 0.44376828444379 0.00000000000000 0.55623171555621 26.982 20 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.356845253077420 0.000000000000000 0.000000000000000 b -4.678422626538710 8.103265688444880 0.000000000000000 c 0.000000000000000 0.000000000000000 14.562732899999999 Atomic positions (fractional): 1 B 0.44161717170357 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.44161717170357 0.00000000000000 0.75000000000000 10.811 > 1 3 B 0.00000000000000 0.44161717170357 0.25000000000000 10.811 > 3 4 B 0.00000000000000 0.44161717170357 0.75000000000000 10.811 > 3 5 B 0.55838282829643 0.55838282829643 0.25000000000000 10.811 > 5 6 B 0.55838282829643 0.55838282829643 0.75000000000000 10.811 > 5 7 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 7 8 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 7 9 B 0.10828383837024 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.10828383837024 0.33333333333333 0.91666666666667 10.811 > 1 11 B 0.66666666666667 0.77495050503690 0.41666666666667 10.811 > 3 12 B 0.66666666666667 0.77495050503690 0.91666666666667 10.811 > 3 13 B 0.22504949496310 0.89171616162976 0.41666666666667 10.811 > 5 14 B 0.22504949496310 0.89171616162976 0.91666666666667 10.811 > 5 15 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 7 16 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 7 17 B 0.77495050503690 0.66666666666667 0.08333333333333 10.811 > 1 18 B 0.77495050503690 0.66666666666667 0.58333333333333 10.811 > 1 19 B 0.33333333333333 0.10828383837024 0.08333333333333 10.811 > 3 20 B 0.33333333333333 0.10828383837024 0.58333333333333 10.811 > 3 21 B 0.89171616162976 0.22504949496310 0.08333333333333 10.811 > 5 22 B 0.89171616162976 0.22504949496310 0.58333333333333 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 7 24 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 7 25 O 0.29953451181452 0.85256066152051 0.23728426205665 15.999 > 25 26 O 0.29953451181452 0.85256066152051 0.73728426205665 15.999 > 25 27 O 0.70046548818548 0.55302614970599 0.26271573794335 15.999 > 27 28 O 0.70046548818548 0.55302614970599 0.76271573794335 15.999 > 27 29 O 0.85256066152051 0.29953451181452 0.26271573794335 15.999 > 29 30 O 0.85256066152051 0.29953451181452 0.76271573794335 15.999 > 29 31 O 0.44697385029401 0.14743933847949 0.26271573794335 15.999 > 31 32 O 0.44697385029401 0.14743933847949 0.76271573794335 15.999 > 31 33 O 0.14889192784976 0.14889192784976 0.25000000000000 15.999 > 33 34 O 0.14889192784976 0.14889192784976 0.75000000000000 15.999 > 33 35 O 0.00000000000000 0.85110807215024 0.25000000000000 15.999 > 35 36 O 0.00000000000000 0.85110807215024 0.75000000000000 15.999 > 35 37 O 0.85110807215024 0.00000000000000 0.25000000000000 15.999 > 37 38 O 0.85110807215024 0.00000000000000 0.75000000000000 15.999 > 37 39 O 0.40947298419460 0.40947298419460 0.25000000000000 15.999 > 39 40 O 0.40947298419460 0.40947298419460 0.75000000000000 15.999 > 39 41 O 0.00000000000000 0.59052701580540 0.25000000000000 15.999 > 41 42 O 0.00000000000000 0.59052701580540 0.75000000000000 15.999 > 41 43 O 0.59052701580540 0.00000000000000 0.25000000000000 15.999 > 43 44 O 0.59052701580540 0.00000000000000 0.75000000000000 15.999 > 43 45 O 0.55302614970599 0.70046548818548 0.23728426205665 15.999 > 45 46 O 0.55302614970599 0.70046548818548 0.73728426205665 15.999 > 45 47 O 0.14743933847949 0.44697385029401 0.23728426205665 15.999 > 47 48 O 0.14743933847949 0.44697385029401 0.73728426205665 15.999 > 47 49 O 0.96620117848119 0.18589399485385 0.40395092872332 15.999 > 25 50 O 0.96620117848119 0.18589399485385 0.90395092872332 15.999 > 25 51 O 0.36713215485215 0.88635948303932 0.42938240461001 15.999 > 27 52 O 0.36713215485215 0.88635948303932 0.92938240461001 15.999 > 27 53 O 0.51922732818718 0.63286784514785 0.42938240461001 15.999 > 29 54 O 0.51922732818718 0.63286784514785 0.92938240461001 15.999 > 29 55 O 0.11364051696067 0.48077267181282 0.42938240461001 15.999 > 31 56 O 0.11364051696067 0.48077267181282 0.92938240461001 15.999 > 31 57 O 0.81555859451643 0.48222526118309 0.41666666666667 15.999 > 33 58 O 0.81555859451643 0.48222526118309 0.91666666666667 15.999 > 33 59 O 0.66666666666667 0.18444140548357 0.41666666666667 15.999 > 35 60 O 0.66666666666667 0.18444140548357 0.91666666666667 15.999 > 35 61 O 0.51777473881690 0.33333333333333 0.41666666666667 15.999 > 37 62 O 0.51777473881690 0.33333333333333 0.91666666666667 15.999 > 37 63 O 0.07613965086127 0.74280631752793 0.41666666666667 15.999 > 39 64 O 0.07613965086127 0.74280631752793 0.91666666666667 15.999 > 39 65 O 0.66666666666667 0.92386034913873 0.41666666666667 15.999 > 41 66 O 0.66666666666667 0.92386034913873 0.91666666666667 15.999 > 41 67 O 0.25719368247207 0.33333333333333 0.41666666666667 15.999 > 43 68 O 0.25719368247207 0.33333333333333 0.91666666666667 15.999 > 43 69 O 0.21969281637266 0.03379882151881 0.40395092872332 15.999 > 45 70 O 0.21969281637266 0.03379882151881 0.90395092872332 15.999 > 45 71 O 0.81410600514615 0.78030718362734 0.40395092872332 15.999 > 47 72 O 0.81410600514615 0.78030718362734 0.90395092872332 15.999 > 47 73 O 0.63286784514785 0.51922732818718 0.07061759538999 15.999 > 25 74 O 0.63286784514785 0.51922732818718 0.57061759538999 15.999 > 25 75 O 0.03379882151881 0.21969281637266 0.09604907127668 15.999 > 27 76 O 0.03379882151881 0.21969281637266 0.59604907127668 15.999 > 27 77 O 0.18589399485385 0.96620117848119 0.09604907127668 15.999 > 29 78 O 0.18589399485385 0.96620117848119 0.59604907127668 15.999 > 29 79 O 0.78030718362734 0.81410600514615 0.09604907127668 15.999 > 31 80 O 0.78030718362734 0.81410600514615 0.59604907127668 15.999 > 31 81 O 0.48222526118309 0.81555859451643 0.08333333333333 15.999 > 33 82 O 0.48222526118309 0.81555859451643 0.58333333333333 15.999 > 33 83 O 0.33333333333333 0.51777473881690 0.08333333333333 15.999 > 35 84 O 0.33333333333333 0.51777473881690 0.58333333333333 15.999 > 35 85 O 0.18444140548357 0.66666666666667 0.08333333333333 15.999 > 37 86 O 0.18444140548357 0.66666666666667 0.58333333333333 15.999 > 37 87 O 0.74280631752793 0.07613965086127 0.08333333333333 15.999 > 39 88 O 0.74280631752793 0.07613965086127 0.58333333333333 15.999 > 39 89 O 0.33333333333333 0.25719368247207 0.08333333333333 15.999 > 41 90 O 0.33333333333333 0.25719368247207 0.58333333333333 15.999 > 41 91 O 0.92386034913873 0.66666666666667 0.08333333333333 15.999 > 43 92 O 0.92386034913873 0.66666666666667 0.58333333333333 15.999 > 43 93 O 0.88635948303932 0.36713215485215 0.07061759538999 15.999 > 45 94 O 0.88635948303932 0.36713215485215 0.57061759538999 15.999 > 45 95 O 0.48077267181282 0.11364051696067 0.07061759538999 15.999 > 47 96 O 0.48077267181282 0.11364051696067 0.57061759538999 15.999 > 47 97 Al 0.22289838222288 0.33333333333333 0.16666666666667 26.982 > 97 98 Al 0.22289838222288 0.33333333333333 0.66666666666667 26.982 > 97 99 Al 0.66666666666667 0.88956504888954 0.16666666666667 26.982 > 99 100 Al 0.66666666666667 0.88956504888954 0.66666666666667 26.982 > 99 101 Al 0.11043495111046 0.77710161777712 0.16666666666667 26.982 > 101 102 Al 0.11043495111046 0.77710161777712 0.66666666666667 26.982 > 101 103 Al 0.88956504888954 0.66666666666667 0.33333333333333 26.982 > 97 104 Al 0.88956504888954 0.66666666666667 0.83333333333333 26.982 > 97 105 Al 0.33333333333333 0.22289838222288 0.33333333333333 26.982 > 99 106 Al 0.33333333333333 0.22289838222288 0.83333333333333 26.982 > 99 107 Al 0.77710161777712 0.11043495111046 0.33333333333333 26.982 > 101 108 Al 0.77710161777712 0.11043495111046 0.83333333333333 26.982 > 101 109 Al 0.55623171555621 0.00000000000000 0.00000000000000 26.982 > 97 110 Al 0.55623171555621 0.00000000000000 0.50000000000000 26.982 > 97 111 Al 0.00000000000000 0.55623171555621 0.00000000000000 26.982 > 99 112 Al 0.00000000000000 0.55623171555621 0.50000000000000 26.982 > 99 113 Al 0.44376828444379 0.44376828444379 0.00000000000000 26.982 > 101 114 Al 0.44376828444379 0.44376828444379 0.50000000000000 26.982 > 101 115 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 115 116 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 115 117 Nd 0.66666666666667 0.33333333333333 0.16666666666667 144.242 > 115 118 Nd 0.66666666666667 0.33333333333333 0.66666666666667 144.242 > 115 119 Nd 0.33333333333333 0.66666666666667 0.33333333333333 144.242 > 115 120 Nd 0.33333333333333 0.66666666666667 0.83333333333333 144.242 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4488625 -0.0000000 0.0000000 0.0000000 3.4488625 0.0000000 0.0000000 0.0000000 3.1393597 -------------------------- Born effective charges -------------------------- 1 B 2.4488570 0.0000000 0.0000000 -0.0000000 3.0029800 0.1922252 0.0000000 -0.0761729 1.1311897 2 B 2.8644493 0.2399423 -0.1664719 0.2399423 2.5873877 -0.0961126 0.0659677 0.0380865 1.1311897 3 B 2.8644493 -0.2399423 0.1664719 -0.2399423 2.5873877 -0.0961126 -0.0659677 0.0380865 1.1311897 4 B 2.8503043 0.0000000 -0.0000000 -0.0000000 2.8503043 0.0000000 0.0000000 0.0000000 1.0720452 5 O -1.7713014 -0.2987543 -0.3911630 -0.3157968 -2.3972576 0.1053282 -0.3760950 0.1329029 -1.5519198 6 O -2.5068770 0.1088880 -0.1043646 0.1259304 -1.6616820 -0.3914212 -0.0729502 -0.3921593 -1.5519198 7 O -1.9746601 -0.4332060 -0.2867984 -0.4161635 -2.1938989 0.2860930 -0.3031448 0.2592564 -1.5519198 8 O -1.7713014 0.2987543 0.3911630 0.3157968 -2.3972576 0.1053282 0.3760950 0.1329029 -1.5519198 9 O -1.7080363 -0.5262718 -0.2254097 -0.5262718 -2.3157226 0.1301404 -0.1718833 0.0992368 -1.4374171 10 O -1.7080363 0.5262718 0.2254097 0.5262718 -2.3157226 0.1301404 0.1718833 0.0992368 -1.4374171 11 O -2.6195657 0.0000000 -0.0000000 -0.0000000 -1.4041931 -0.2602807 0.0000000 -0.1984737 -1.4374171 12 O -1.8551326 -0.3673652 -0.0899948 -0.3673652 -2.2793294 0.0519585 -0.0269832 0.0155787 -1.4133127 13 O -1.8551326 0.3673652 0.0899948 0.3673652 -2.2793294 0.0519585 0.0269832 0.0155787 -1.4133127 14 O -2.4914278 0.0000000 -0.0000000 -0.0000000 -1.6430342 -0.1039171 0.0000000 -0.0311575 -1.4133127 15 O -1.9746601 0.4332060 0.2867984 0.4161635 -2.1938989 0.2860930 0.3031448 0.2592564 -1.5519198 16 O -2.5068770 -0.1088880 0.1043646 -0.1259304 -1.6616820 -0.3914212 0.0729502 -0.3921593 -1.5519198 17 Al 3.1998509 0.0000000 0.0000000 -0.0000000 3.2911753 0.0735613 0.0000000 0.0988149 3.1773541 18 Al 3.2683442 0.0395446 -0.0637060 0.0395446 3.2226820 -0.0367807 -0.0855762 -0.0494074 3.1773541 19 Al 3.2683442 -0.0395446 0.0637060 -0.0395446 3.2226820 -0.0367807 0.0855762 -0.0494074 3.1773541 20 Nd 3.9784090 0.0000000 -0.0000000 -0.0000000 3.9784090 0.0000000 0.0000000 0.0000000 3.8660320 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.73, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/85) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 85 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 1.401 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 -0.000) 0.000 3.030 ( -0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.229 ( -0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 7.310 ( -0.000 -0.000 -0.000) 0.000 7.333 ( -0.000 0.000 -0.000) 0.000 7.333 ( -0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 8.504 ( 0.000 0.000 -0.000) 0.000 8.738 ( -0.000 0.000 0.000) 0.000 8.738 ( -0.000 0.000 0.000) 0.000 9.614 ( 0.000 -0.000 0.000) 0.000 9.614 ( -0.000 0.000 -0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 10.821 ( 0.000 -0.000 -0.000) 0.000 10.821 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 11.001 ( 0.000 0.000 0.000) 0.000 11.939 ( 0.000 0.000 0.000) 0.000 11.939 ( 0.000 0.000 0.000) 0.000 12.156 ( 0.000 0.000 0.000) 0.000 12.156 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 -0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 14.135 ( 0.000 0.000 0.000) 0.000 14.292 ( 0.000 -0.000 0.000) 0.000 14.292 ( -0.000 0.000 0.000) 0.000 15.750 ( -0.000 -0.000 -0.000) 0.000 15.750 ( -0.000 0.000 -0.000) 0.000 16.545 ( -0.000 0.000 -0.000) 0.000 17.706 ( 0.000 0.000 -0.000) 0.000 17.706 ( 0.000 0.000 0.000) 0.000 18.999 ( 0.000 0.000 -0.000) 0.000 19.277 ( 0.000 0.000 -0.000) 0.000 19.277 ( 0.000 0.000 -0.000) 0.000 19.492 ( 0.000 0.000 -0.000) 0.000 19.604 ( 0.000 0.000 -0.000) 0.000 20.102 ( 0.000 0.000 0.000) 0.000 20.102 ( -0.000 0.000 0.000) 0.000 21.637 ( 0.000 0.000 0.000) 0.000 21.637 ( 0.000 0.000 -0.000) 0.000 21.967 ( 0.000 0.000 -0.000) 0.000 27.930 ( -0.000 0.000 -0.000) 0.000 29.048 ( -0.000 0.000 0.000) 0.000 29.048 ( -0.000 0.000 0.000) 0.000 29.945 ( 0.000 0.000 -0.000) 0.000 36.584 ( 0.000 0.000 -0.000) 0.000 36.584 ( 0.000 0.000 -0.000) 0.000 37.613 ( 0.000 0.000 -0.000) 0.000 37.613 ( 0.000 -0.000 -0.000) 0.000 37.908 ( 0.000 0.000 0.000) 0.000 39.868 ( 0.000 0.000 0.000) 0.000 40.375 ( 0.000 0.000 0.000) 0.000 40.375 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 1 (2/85) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 24.078 13.902 18.904) 33.621 0.974 ( 20.513 11.843 37.608) 44.446 1.675 ( 55.565 32.080 43.997) 77.797 2.064 ( -8.630 -4.983 42.360) 43.516 3.058 ( 10.533 6.081 -1.792) 12.293 3.620 ( 31.494 18.183 9.047) 37.475 6.197 ( 1.042 0.601 -2.165) 2.477 6.214 ( -6.314 -3.645 6.562) 9.808 6.356 ( 2.654 1.532 8.765) 9.286 7.124 ( -8.855 -5.112 -1.558) 10.343 7.387 ( 5.192 2.997 -1.056) 6.087 7.503 ( 6.701 3.869 -0.441) 7.750 7.610 ( 22.365 12.912 -0.372) 25.827 8.526 ( -6.190 -3.574 -8.882) 11.401 8.758 ( -10.699 -6.177 8.805) 15.171 8.913 ( -0.109 -0.063 10.124) 10.125 9.458 ( 2.169 1.252 -13.863) 14.088 9.754 ( -3.380 -1.951 3.881) 5.504 9.930 ( 4.961 2.864 4.592) 7.342 10.587 ( 1.217 0.703 -16.409) 16.469 10.933 ( -3.499 -2.020 2.262) 4.631 10.995 ( -3.810 -2.200 2.023) 4.842 11.514 ( -17.533 -10.123 21.793) 29.746 11.885 ( 0.617 0.356 -5.862) 5.906 12.011 ( -1.259 -0.727 -2.439) 2.839 12.167 ( 1.274 0.736 2.867) 3.223 12.300 ( 4.065 2.347 3.079) 5.614 13.278 ( -12.309 -7.106 13.022) 19.277 13.929 ( -6.681 -3.857 -3.129) 8.324 13.971 ( -0.934 -0.539 -3.784) 3.934 14.129 ( -0.092 -0.053 0.817) 0.824 14.329 ( -1.854 -1.070 4.858) 5.309 15.215 ( -0.585 -0.338 -8.835) 8.861 15.739 ( -2.612 -1.508 0.789) 3.117 16.324 ( 20.338 11.742 -40.298) 46.642 16.577 ( 30.695 17.722 -35.415) 50.105 17.662 ( 5.971 3.447 -6.727) 9.633 17.829 ( 3.217 1.858 4.347) 5.718 19.176 ( 1.607 0.928 -6.382) 6.646 19.248 ( -2.795 -1.614 -1.330) 3.491 19.292 ( 0.345 0.199 1.280) 1.340 19.565 ( -0.484 -0.280 8.373) 8.391 20.025 ( -7.328 -4.231 2.949) 8.961 20.128 ( -1.031 -0.595 1.705) 2.079 20.878 ( -30.121 -17.391 34.296) 48.846 21.583 ( 1.094 0.632 -6.747) 6.864 21.756 ( 4.667 2.695 -1.443) 5.579 23.093 ( -73.067 -42.185 73.408) 111.835 27.949 ( 1.839 1.062 0.421) 2.165 29.073 ( 2.964 1.711 0.222) 3.429 29.112 ( 2.176 1.256 0.060) 2.513 29.935 ( -0.472 -0.273 -0.869) 1.026 36.589 ( 1.071 0.618 -0.491) 1.331 37.108 ( 6.406 3.699 -13.512) 15.405 37.592 ( 2.092 1.208 -5.628) 6.125 37.882 ( 0.348 0.201 -1.122) 1.192 38.186 ( 30.488 17.602 -23.262) 42.195 39.915 ( -0.817 -0.472 6.010) 6.084 40.406 ( 3.032 1.750 0.695) 3.569 41.602 ( 94.254 54.418 -99.495) 147.460 ======================= Grid point 2 (3/85) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 11.906 6.874 11.923) 18.198 1.776 ( 17.366 10.026 27.319) 33.889 2.778 ( 15.358 8.867 39.830) 43.599 2.915 ( 18.303 10.567 36.598) 42.262 3.404 ( 31.736 18.323 6.693) 37.252 4.502 ( 46.451 26.819 23.651) 58.621 6.104 ( -13.529 -7.811 1.092) 15.660 6.217 ( 0.999 0.577 -1.121) 1.609 6.546 ( 1.377 0.795 9.987) 10.113 7.031 ( -4.132 -2.386 4.203) 6.358 7.423 ( 5.282 3.050 -3.881) 7.229 7.648 ( 13.166 7.602 -5.300) 16.100 8.021 ( 25.291 14.602 2.006) 29.272 8.307 ( -1.009 -0.583 -9.252) 9.325 8.642 ( -8.617 -4.975 -2.802) 10.337 9.037 ( 2.048 1.182 4.013) 4.658 9.352 ( 1.113 0.642 -4.022) 4.222 9.718 ( -6.620 -3.822 2.845) 8.156 10.085 ( 6.447 3.722 1.324) 7.561 10.437 ( 2.115 1.221 -4.936) 5.507 10.880 ( -7.468 -4.311 -3.514) 9.312 10.907 ( 0.187 0.108 -1.046) 1.068 11.467 ( -13.527 -7.810 5.560) 16.580 11.786 ( -2.066 -1.193 -6.926) 7.326 11.902 ( -5.684 -3.282 -2.812) 7.140 12.367 ( 4.306 2.486 9.098) 10.369 12.443 ( 9.411 5.434 6.539) 12.683 13.257 ( -6.642 -3.835 1.822) 7.883 13.652 ( -15.643 -9.032 -4.495) 18.614 13.923 ( 0.168 0.097 -2.641) 2.648 14.188 ( 4.499 2.598 0.821) 5.260 14.361 ( -3.789 -2.188 5.185) 6.784 15.047 ( -7.887 -4.554 -3.433) 9.733 15.669 ( -5.975 -3.450 -1.815) 7.134 15.975 ( 1.846 1.066 -27.279) 27.362 16.449 ( 7.978 4.606 -19.819) 21.855 17.696 ( 8.483 4.898 -4.460) 10.763 17.947 ( 2.634 1.520 4.942) 5.803 19.094 ( 2.052 1.185 -8.527) 8.850 19.156 ( -6.090 -3.516 -0.876) 7.087 19.323 ( 0.398 0.230 1.856) 1.912 19.695 ( -0.202 -0.117 8.954) 8.957 19.977 ( -3.899 -2.251 2.693) 5.246 20.128 ( -2.669 -1.541 2.544) 3.996 20.934 ( -11.225 -6.481 15.629) 20.305 21.482 ( 0.360 0.208 -7.831) 7.842 21.805 ( 1.915 1.106 0.912) 2.392 23.045 ( -32.135 -18.553 29.713) 47.537 27.994 ( 2.579 1.489 0.590) 3.036 29.143 ( 4.849 2.800 -0.388) 5.613 29.165 ( 2.129 1.229 3.224) 4.054 29.899 ( -1.630 -0.941 -1.765) 2.580 36.601 ( 1.843 1.064 -0.946) 2.329 36.986 ( -1.976 -1.141 -6.260) 6.663 37.511 ( 2.226 1.285 -8.452) 8.834 37.903 ( -1.724 -0.995 4.478) 4.901 38.314 ( 15.263 8.812 -8.106) 19.399 40.024 ( -0.930 -0.537 9.533) 9.593 40.482 ( 4.906 2.832 0.598) 5.696 41.564 ( 41.767 24.114 -46.484) 66.983 ======================= Grid point 3 (4/85) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 5.027 2.903 6.240) 8.523 2.317 ( 8.085 4.668 16.397) 18.869 3.481 ( 18.142 10.474 17.229) 27.123 3.738 ( 14.718 8.497 42.864) 46.110 4.092 ( 27.605 15.938 14.204) 34.897 5.528 ( 14.047 8.110 16.633) 23.232 5.893 ( 7.274 4.200 1.665) 8.562 6.182 ( 5.791 3.343 -11.543) 13.340 6.632 ( -5.402 -3.119 4.011) 7.416 7.121 ( -1.102 -0.636 11.209) 11.281 7.459 ( 5.780 3.337 -2.295) 7.058 7.652 ( 7.731 4.463 -14.341) 16.892 8.191 ( 2.594 1.498 -1.722) 3.455 8.450 ( 8.966 5.177 7.748) 12.931 8.557 ( 10.711 6.184 -5.904) 13.705 9.105 ( 1.406 0.812 0.979) 1.896 9.304 ( -0.957 -0.552 -1.540) 1.896 9.640 ( -8.435 -4.870 1.437) 9.846 10.130 ( 4.950 2.858 -6.092) 8.353 10.446 ( -4.763 -2.750 1.652) 5.742 10.771 ( -0.286 -0.165 0.836) 0.899 10.929 ( 7.056 4.074 -1.647) 8.313 11.334 ( -11.473 -6.624 4.932) 14.136 11.630 ( -4.759 -2.748 -3.853) 6.712 11.780 ( -2.040 -1.178 -5.055) 5.577 12.473 ( 0.540 0.312 3.524) 3.579 12.666 ( -2.029 -1.171 -2.772) 3.629 13.102 ( -1.765 -1.019 -1.536) 2.552 13.477 ( -7.933 -4.580 6.425) 11.189 13.906 ( 1.915 1.106 -0.574) 2.285 14.273 ( 5.475 3.161 -0.456) 6.339 14.369 ( -4.875 -2.815 4.871) 7.445 14.879 ( -8.937 -5.160 -0.469) 10.330 15.479 ( -7.305 -4.217 -10.925) 13.802 15.592 ( -3.843 -2.219 -17.464) 18.019 16.287 ( 0.911 0.526 -9.167) 9.228 17.769 ( 7.329 4.231 -3.057) 8.998 18.060 ( 2.188 1.263 4.590) 5.240 18.973 ( -1.446 -0.835 -7.188) 7.380 19.059 ( -4.291 -2.477 -0.653) 4.997 19.355 ( 0.127 0.074 1.677) 1.683 19.827 ( 0.909 0.525 7.351) 7.426 19.971 ( -0.854 -0.493 0.888) 1.327 20.129 ( -2.563 -1.479 2.923) 4.159 20.993 ( -5.464 -3.155 9.295) 11.234 21.364 ( 0.179 0.103 -7.746) 7.749 21.841 ( 0.898 0.519 0.897) 1.372 22.991 ( -15.763 -9.101 13.220) 22.495 28.041 ( 2.081 1.202 0.492) 2.453 29.196 ( 2.012 1.162 0.639) 2.410 29.282 ( 5.618 3.244 2.947) 7.126 29.829 ( -3.137 -1.811 -2.381) 4.335 36.616 ( 1.985 1.146 -1.157) 2.568 36.872 ( -3.401 -1.964 -2.645) 4.735 37.426 ( 1.525 0.880 -6.213) 6.458 37.944 ( -1.906 -1.100 4.333) 4.859 38.412 ( 8.413 4.857 -3.746) 10.412 40.159 ( -1.336 -0.771 9.880) 10.000 40.565 ( 4.776 2.757 -0.245) 5.520 41.511 ( 20.806 12.012 -25.095) 34.741 ======================= Grid point 4 (5/85) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 1.516 0.875 2.009) 2.665 2.550 ( 1.639 0.946 5.269) 5.598 3.937 ( 9.672 5.584 9.001) 14.344 4.482 ( 13.500 7.794 19.042) 24.609 4.670 ( 18.144 10.475 12.533) 24.413 5.254 ( -25.166 -14.529 -2.290) 29.149 5.993 ( 0.753 0.435 -15.401) 15.425 6.436 ( 15.720 9.076 4.337) 18.663 6.563 ( -3.665 -2.116 1.349) 4.441 7.232 ( 2.883 1.664 -0.515) 3.368 7.553 ( 2.257 1.303 -3.689) 4.517 7.614 ( 3.554 2.052 7.221) 8.306 8.232 ( 2.255 1.302 0.395) 2.634 8.607 ( 2.549 1.471 -3.730) 4.751 8.668 ( 6.153 3.552 4.249) 8.278 9.141 ( 4.867 2.810 0.433) 5.636 9.293 ( -3.834 -2.214 -0.818) 4.503 9.502 ( -5.096 -2.942 -0.919) 5.956 10.068 ( -0.638 -0.368 -4.651) 4.709 10.378 ( -2.942 -1.699 1.082) 3.565 10.752 ( -2.784 -1.607 -0.133) 3.217 11.117 ( 13.468 7.776 -2.003) 15.680 11.267 ( -7.532 -4.348 5.413) 10.244 11.571 ( -1.667 -0.962 1.696) 2.565 11.720 ( 2.110 1.218 -0.922) 2.605 12.326 ( -12.171 -7.027 -9.536) 16.984 12.521 ( 0.289 0.167 0.767) 0.837 13.176 ( 2.824 1.630 0.418) 3.287 13.493 ( -2.739 -1.582 4.176) 5.239 13.999 ( 4.343 2.507 3.951) 6.384 14.330 ( 4.021 2.321 -2.865) 5.455 14.360 ( -3.393 -1.959 3.197) 5.057 14.804 ( -3.094 -1.786 5.391) 6.468 15.107 ( -6.996 -4.039 -15.846) 17.787 15.409 ( -1.827 -1.055 -3.230) 3.858 16.210 ( 0.016 0.009 -2.234) 2.235 17.820 ( 2.900 1.675 -1.158) 3.544 18.141 ( 0.909 0.525 2.108) 2.355 18.868 ( -1.146 -0.662 -2.838) 3.131 19.003 ( -1.554 -0.897 -0.406) 1.840 19.374 ( -0.015 -0.009 0.665) 0.666 19.931 ( 0.352 0.203 4.083) 4.103 19.969 ( 0.646 0.373 -1.020) 1.263 20.129 ( -1.414 -0.817 1.253) 2.058 21.040 ( -2.010 -1.160 4.122) 4.730 21.270 ( 0.273 0.158 -4.188) 4.200 21.860 ( 0.264 0.152 0.341) 0.457 22.956 ( -4.843 -2.796 3.802) 6.762 28.070 ( 0.784 0.452 0.192) 0.925 29.225 ( 0.677 0.391 0.342) 0.853 29.402 ( 3.676 2.122 1.770) 4.599 29.744 ( -2.595 -1.498 -1.617) 3.405 36.627 ( 0.976 0.563 -0.613) 1.283 36.806 ( -1.627 -0.939 -0.584) 1.967 37.377 ( 0.542 0.313 -2.214) 2.301 37.969 ( -0.792 -0.457 1.676) 1.909 38.463 ( 2.743 1.584 -1.157) 3.372 40.258 ( -0.792 -0.457 4.555) 4.646 40.616 ( 2.111 1.219 -0.460) 2.480 41.468 ( 6.492 3.748 -8.387) 11.249 ======================= Grid point 10 (6/85) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -0.000 20.297 27.558) 34.226 1.545 ( -0.000 25.331 35.158) 43.333 2.222 ( -0.000 24.615 35.812) 43.456 2.748 ( -0.000 -7.229 52.181) 52.679 3.196 ( -0.000 20.861 11.177) 23.667 3.837 ( -0.000 31.198 24.746) 39.820 6.138 ( 0.000 -2.252 -2.981) 3.736 6.362 ( 0.000 -10.825 11.487) 15.784 6.550 ( -0.000 8.652 12.148) 14.914 7.162 ( 0.000 -6.377 1.549) 6.563 7.321 ( -0.000 5.649 -4.102) 6.981 7.472 ( -0.000 6.426 -1.470) 6.592 7.588 ( -0.000 21.958 -0.977) 21.979 8.311 ( 0.000 -3.315 -14.919) 15.282 8.852 ( 0.000 -8.779 -2.846) 9.229 9.027 ( -0.000 -0.746 5.126) 5.180 9.273 ( -0.000 4.484 -3.334) 5.588 9.827 ( 0.000 -1.491 0.807) 1.695 9.994 ( -0.000 1.946 4.997) 5.362 10.370 ( -0.000 2.720 -10.890) 11.225 10.886 ( 0.000 -1.218 -2.425) 2.714 11.041 ( 0.000 -6.491 -3.093) 7.191 11.598 ( 0.000 -30.233 7.312) 31.105 11.872 ( -0.000 1.763 -3.919) 4.297 12.023 ( -0.000 4.222 -4.232) 5.978 12.242 ( -0.000 1.788 11.487) 11.626 12.406 ( -0.000 10.797 3.854) 11.464 13.372 ( 0.000 -14.574 1.574) 14.658 13.820 ( 0.000 -9.084 -5.796) 10.776 13.897 ( 0.000 -3.675 -3.127) 4.825 14.060 ( 0.000 -3.783 -1.540) 4.084 14.449 ( 0.000 -1.565 4.410) 4.679 15.094 ( -0.000 11.186 -8.815) 14.242 15.599 ( 0.000 -2.080 -8.006) 8.272 15.972 ( -0.000 24.838 -14.026) 28.525 16.379 ( 0.000 0.700 -10.571) 10.594 17.568 ( -0.000 7.206 -5.285) 8.936 17.917 ( -0.000 4.227 5.128) 6.646 19.049 ( -0.000 3.665 -9.236) 9.937 19.253 ( 0.000 -3.162 -0.106) 3.164 19.294 ( 0.000 -1.184 1.343) 1.790 19.712 ( -0.000 0.199 9.874) 9.876 20.044 ( 0.000 -0.353 -0.969) 1.031 20.157 ( -0.000 -0.238 1.541) 1.559 21.122 ( 0.000 -15.798 8.217) 17.808 21.465 ( 0.000 0.262 -7.527) 7.532 21.782 ( -0.000 4.019 1.550) 4.308 23.782 ( 0.000 -67.493 23.176) 71.362 27.966 ( -0.000 2.198 1.394) 2.603 29.052 ( -0.000 2.247 0.193) 2.256 29.152 ( -0.000 2.823 2.822) 3.991 29.923 ( 0.000 -1.519 -0.723) 1.682 36.456 ( 0.000 -3.540 -6.179) 7.121 36.915 ( -0.000 21.911 -11.329) 24.667 37.451 ( -0.000 3.390 -6.803) 7.601 37.887 ( -0.000 13.488 -6.737) 15.077 38.124 ( -0.000 12.732 9.325) 15.781 40.042 ( -0.000 -0.680 9.482) 9.506 40.326 ( -0.000 9.146 -6.014) 10.946 40.920 ( -0.000 45.842 -12.630) 47.550 ======================= Grid point 11 (7/85) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -12.668 7.862 23.760) 28.050 2.129 ( -1.226 10.483 28.000) 29.923 3.036 ( 29.313 24.992 21.807) 44.265 3.377 ( 4.148 20.738 15.075) 25.971 3.762 ( -0.132 5.797 51.143) 51.471 4.716 ( 26.992 35.881 33.790) 56.194 6.040 ( 0.660 -3.292 -9.013) 9.618 6.348 ( -13.859 -11.119 5.308) 18.544 6.758 ( -5.148 7.512 9.172) 12.925 7.147 ( -0.839 -3.476 5.672) 6.705 7.312 ( 3.319 3.403 -4.767) 6.731 7.512 ( 1.738 6.495 -3.439) 7.552 7.886 ( 21.959 18.835 1.660) 28.978 8.145 ( 4.067 4.803 -5.874) 8.609 8.639 ( -6.398 -10.782 -4.881) 13.454 9.103 ( -0.679 9.916 1.077) 9.997 9.341 ( -1.073 -0.433 3.742) 3.917 9.774 ( -0.612 -3.374 -1.571) 3.772 10.026 ( -0.753 0.048 -3.372) 3.456 10.352 ( 8.686 4.914 -1.049) 10.035 10.841 ( -3.678 -4.543 -3.893) 7.023 10.919 ( -2.363 -2.897 1.584) 4.060 11.470 ( -0.148 -21.261 0.543) 21.269 11.777 ( -6.715 -0.580 -3.052) 7.399 11.917 ( -5.402 2.075 -6.017) 8.348 12.475 ( -0.107 4.899 5.000) 7.001 12.544 ( 2.941 9.320 9.929) 13.932 13.242 ( -4.116 -10.154 -4.462) 11.830 13.646 ( -3.135 -10.812 -4.750) 12.218 13.843 ( 3.314 -3.734 -1.938) 5.355 14.071 ( 6.965 -2.104 -0.728) 7.312 14.466 ( -2.207 -2.485 2.375) 4.085 15.026 ( -1.630 0.108 -4.390) 4.684 15.438 ( 0.301 -8.428 -11.448) 14.219 15.840 ( -8.059 11.337 -13.071) 19.088 16.228 ( 3.134 3.592 -12.204) 13.102 17.595 ( 5.069 10.470 -3.756) 12.224 18.029 ( 0.639 4.445 5.055) 6.761 18.943 ( 1.671 4.141 -9.873) 10.836 19.192 ( -4.968 -4.212 0.174) 6.515 19.327 ( 2.191 -1.490 1.665) 3.130 19.852 ( -1.537 -0.005 9.160) 9.288 20.022 ( -2.393 0.388 0.501) 2.475 20.174 ( -0.574 -0.947 1.698) 2.027 21.117 ( -3.613 -10.311 6.754) 12.845 21.347 ( 0.852 -1.135 -7.986) 8.111 21.827 ( 0.284 3.193 0.835) 3.313 23.513 ( -20.592 -38.771 12.888) 45.753 28.014 ( 0.317 3.469 1.848) 3.943 29.103 ( 3.886 2.148 0.969) 4.545 29.223 ( 0.333 3.011 3.565) 4.678 29.887 ( -1.540 -2.084 -1.257) 2.880 36.406 ( 12.310 -6.552 -7.392) 15.783 36.887 ( -0.314 7.993 -6.679) 10.421 37.388 ( 1.817 -3.966 -2.803) 5.185 37.897 ( 3.307 18.331 -9.424) 20.875 38.350 ( -1.259 5.186 11.747) 12.902 40.165 ( 0.990 -1.966 6.108) 6.493 40.389 ( 7.234 10.114 -1.728) 12.555 41.123 ( 8.218 25.128 -2.741) 26.579 ======================= Grid point 12 (8/85) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -17.549 0.658 19.453) 26.207 2.514 ( -0.824 2.918 15.778) 16.067 3.666 ( 9.524 15.572 11.895) 21.788 3.940 ( 24.827 27.456 13.713) 39.474 4.544 ( -0.224 4.546 42.946) 43.186 5.734 ( 22.908 22.716 8.000) 33.238 5.841 ( -6.783 -5.088 -0.592) 8.500 6.099 ( -11.546 3.360 0.099) 12.025 6.745 ( -9.775 -5.505 -0.142) 11.220 7.173 ( 2.776 1.879 -2.557) 4.217 7.426 ( 9.345 0.144 3.743) 10.068 7.526 ( -0.865 3.643 6.025) 7.094 8.176 ( 6.031 7.388 2.334) 9.818 8.368 ( 15.198 9.896 1.880) 18.233 8.551 ( 2.642 -0.294 6.335) 6.870 9.153 ( -3.470 9.208 -1.135) 9.905 9.287 ( -3.180 -1.816 -1.769) 4.067 9.731 ( -7.273 -3.392 0.555) 8.044 9.954 ( 7.090 1.256 -7.825) 10.633 10.494 ( 2.471 -1.131 2.250) 3.528 10.731 ( 5.430 0.928 -3.008) 6.277 10.900 ( -5.814 -3.886 0.994) 7.063 11.391 ( 1.717 -11.901 3.699) 12.581 11.653 ( -8.618 1.405 0.280) 8.737 11.788 ( -3.879 1.455 -3.312) 5.304 12.514 ( -1.052 1.916 -0.142) 2.191 12.637 ( -10.151 -2.743 -5.977) 12.095 13.089 ( 1.425 -1.209 0.737) 2.009 13.525 ( 0.258 -8.761 -1.749) 8.938 13.881 ( 4.995 -4.032 4.734) 7.976 14.146 ( 10.064 1.788 -2.854) 10.612 14.445 ( -0.869 -4.267 0.658) 4.404 14.924 ( -6.516 -3.172 -1.702) 7.444 15.153 ( -1.541 -11.286 -12.999) 17.284 15.601 ( -9.407 13.131 -13.511) 21.059 16.142 ( 5.392 -0.147 -7.279) 9.060 17.692 ( 5.804 10.871 -2.331) 12.542 18.139 ( -0.190 4.315 4.502) 6.239 18.843 ( 2.197 2.149 -8.560) 9.095 19.103 ( -5.785 -3.290 0.373) 6.666 19.362 ( 1.404 -1.640 1.254) 2.497 19.942 ( -1.544 1.130 3.731) 4.193 20.019 ( -3.478 0.110 4.001) 5.302 20.180 ( -1.764 -1.766 1.748) 3.047 21.091 ( -1.815 -6.866 0.671) 7.134 21.253 ( 0.879 -2.524 -2.625) 3.746 21.856 ( 0.060 2.614 0.097) 2.617 23.225 ( -15.610 -22.798 5.632) 28.199 28.069 ( -0.546 4.020 1.853) 4.460 29.182 ( 3.549 1.561 1.148) 4.044 29.314 ( 1.984 3.398 3.751) 5.436 29.821 ( -3.012 -2.515 -1.669) 4.264 36.409 ( 15.031 -6.124 -7.912) 18.057 36.823 ( -1.431 0.267 -3.500) 3.790 37.358 ( 2.626 -6.837 0.331) 7.331 37.913 ( 3.111 19.357 -10.644) 22.308 38.515 ( -4.996 1.199 12.074) 13.122 40.217 ( 4.309 -1.453 -1.854) 4.911 40.533 ( 3.383 7.876 2.726) 8.995 41.355 ( 2.606 13.749 7.576) 15.913 ======================= Grid point 13 (9/85) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -18.766 -1.486 15.871) 24.622 2.618 ( -6.000 -1.658 3.442) 7.114 3.933 ( 7.123 5.571 -2.111) 9.286 4.568 ( 16.671 24.851 10.529) 31.723 4.848 ( -12.565 -3.612 -3.421) 13.515 5.475 ( -33.708 -6.657 -6.133) 34.902 5.816 ( 13.345 11.360 8.064) 19.292 6.508 ( -1.275 -5.632 3.522) 6.764 6.625 ( 3.774 6.140 8.571) 11.199 7.198 ( 2.933 3.436 -0.399) 4.535 7.533 ( 3.916 -0.226 5.314) 6.605 7.704 ( -2.793 0.198 5.736) 6.383 8.285 ( 0.074 3.276 4.680) 5.714 8.559 ( 5.483 -0.923 4.669) 7.261 8.730 ( 0.715 3.854 5.302) 6.594 9.156 ( -1.205 7.898 -0.136) 7.990 9.283 ( 2.626 1.911 -0.535) 3.291 9.545 ( -10.636 -5.076 -3.074) 12.179 9.981 ( 7.219 4.341 -2.990) 8.938 10.440 ( -6.529 -6.395 2.176) 9.394 10.751 ( -1.996 -3.816 -2.101) 4.792 10.912 ( 14.476 8.644 -5.775) 17.822 11.383 ( -1.858 -9.198 4.277) 10.313 11.606 ( -8.365 7.304 -0.475) 11.115 11.830 ( 0.367 -3.180 11.531) 11.967 12.250 ( -9.765 -5.063 -10.762) 15.389 12.525 ( -0.927 1.228 -0.976) 1.822 13.172 ( 3.170 -0.202 2.653) 4.139 13.409 ( 2.808 -7.020 -8.901) 11.679 13.986 ( 1.945 -10.929 5.725) 12.490 14.238 ( 7.398 7.054 -4.806) 11.295 14.467 ( 6.881 0.692 2.818) 7.467 14.718 ( -7.322 -7.012 -10.513) 14.605 14.993 ( 0.970 -2.560 1.804) 3.279 15.456 ( -3.162 15.079 -6.304) 16.646 16.129 ( 7.031 -2.690 -2.649) 7.980 17.796 ( 3.584 8.952 -0.664) 9.666 18.195 ( -3.256 3.391 1.236) 4.860 18.795 ( 4.551 0.898 -3.394) 5.748 19.034 ( -4.054 -0.839 0.531) 4.174 19.372 ( 0.370 -1.811 0.191) 1.858 19.944 ( -1.304 1.636 -1.650) 2.664 20.053 ( -4.458 0.399 5.007) 6.716 20.148 ( -3.010 -2.470 -0.342) 3.909 20.999 ( 1.642 -5.156 -6.081) 8.140 21.266 ( 0.382 -2.959 4.978) 5.804 21.869 ( -0.415 2.477 -0.472) 2.556 23.003 ( -7.663 -13.625 -0.545) 15.642 28.106 ( -2.127 3.639 1.503) 4.475 29.230 ( 0.669 0.707 0.775) 1.244 29.415 ( 2.086 2.107 2.505) 3.882 29.746 ( -2.603 -1.727 -0.771) 3.218 36.440 ( 15.404 -3.444 -7.289) 17.386 36.760 ( 0.078 -4.846 -1.418) 5.050 37.365 ( 3.731 -8.026 2.279) 9.139 37.912 ( 1.483 19.150 -10.274) 21.782 38.619 ( -8.348 -0.598 11.731) 14.411 40.194 ( 4.279 -0.009 -7.031) 8.231 40.631 ( 0.053 3.176 2.000) 3.753 41.615 ( -5.003 7.200 19.090) 21.007 ======================= Grid point 14 (10/85) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -20.979 -2.283 12.650) 24.604 2.479 ( -9.040 -4.875 -6.567) 12.190 3.797 ( -5.709 -0.021 -19.366) 20.190 4.234 ( -23.689 -9.333 -28.462) 38.188 4.773 ( -25.121 -1.472 -8.282) 26.492 5.248 ( 6.173 17.208 9.160) 20.449 6.226 ( -2.600 0.966 14.256) 14.524 6.431 ( 6.610 -2.109 0.310) 6.945 6.703 ( -17.249 4.045 2.033) 17.833 7.255 ( -6.478 -6.806 1.041) 9.454 7.489 ( -5.791 -2.042 -9.663) 11.449 7.744 ( -0.010 -1.754 16.318) 16.412 8.295 ( -8.819 -2.215 0.659) 9.117 8.662 ( -1.202 -2.760 0.279) 3.023 8.721 ( -6.607 -4.779 5.497) 9.834 9.161 ( -0.360 -2.810 -1.000) 3.005 9.306 ( -2.176 10.156 0.063) 10.387 9.492 ( 3.049 3.776 -0.032) 4.853 10.096 ( 6.824 2.959 3.101) 8.058 10.384 ( -2.626 -1.575 2.271) 3.812 10.719 ( 2.407 0.191 -0.952) 2.595 11.002 ( 10.460 3.715 -7.390) 13.335 11.318 ( -12.261 -11.637 2.364) 17.069 11.514 ( -1.925 1.504 -1.761) 3.011 11.874 ( -7.469 4.341 4.983) 9.973 12.319 ( 15.946 1.402 6.992) 17.468 12.512 ( 1.216 2.327 0.058) 2.627 13.186 ( -3.119 -4.996 -3.253) 6.728 13.280 ( 8.588 -0.490 -8.670) 12.213 13.942 ( -0.514 -10.771 -0.062) 10.783 14.257 ( 3.893 5.978 -6.239) 9.477 14.420 ( -5.803 -5.566 -8.550) 11.737 14.654 ( 8.422 3.912 2.994) 9.757 15.153 ( 11.534 -4.633 8.926) 15.303 15.572 ( 3.700 20.170 5.134) 21.139 16.210 ( 8.739 -1.074 4.020) 9.679 17.867 ( -0.844 5.180 1.088) 5.360 18.148 ( -5.306 2.105 -2.460) 6.216 18.861 ( 6.369 0.716 2.149) 6.760 19.021 ( -0.679 2.331 1.049) 2.645 19.354 ( -0.076 -1.852 -1.031) 2.120 19.888 ( -2.604 1.058 -4.207) 5.060 20.025 ( -5.461 -1.075 -1.075) 5.669 20.104 ( -1.375 0.684 -0.024) 1.536 20.887 ( 3.641 -5.475 -8.157) 10.477 21.353 ( 0.927 -2.167 7.306) 7.676 21.868 ( -1.277 2.876 -0.565) 3.198 22.829 ( -0.549 -8.059 -6.607) 10.435 28.111 ( -3.721 2.530 0.972) 4.603 29.233 ( -1.393 -0.199 0.011) 1.407 29.417 ( -4.277 -1.784 -0.824) 4.707 29.754 ( 2.302 1.351 2.298) 3.522 36.506 ( 13.281 0.223 -5.288) 14.297 36.721 ( 4.078 -8.818 -0.318) 9.720 37.401 ( 5.662 -7.949 2.136) 9.990 37.903 ( -0.845 17.676 -7.714) 19.304 38.669 ( -11.533 -1.078 11.099) 16.042 40.111 ( 2.616 0.934 -9.263) 9.671 40.638 ( -2.255 -1.302 0.036) 2.604 41.920 ( -12.180 2.999 29.821) 32.352 ======================= Grid point 15 (11/85) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -23.038 -3.720 6.430) 24.206 2.143 ( -16.110 -6.925 -12.000) 21.249 3.180 ( -18.605 -9.552 -36.883) 42.400 3.505 ( -28.743 2.977 -19.288) 34.743 4.216 ( -33.823 -10.905 -8.473) 36.533 5.550 ( -4.491 7.528 2.615) 9.147 6.022 ( -33.190 -6.585 -8.553) 34.901 6.343 ( -12.769 -11.134 3.345) 17.269 6.626 ( -5.094 9.660 -1.072) 10.973 6.976 ( -2.108 1.424 -6.520) 6.999 7.501 ( 2.589 -3.489 2.508) 5.017 7.931 ( -6.735 -11.248 13.676) 18.945 8.232 ( -0.912 1.840 1.169) 2.363 8.436 ( -10.165 -2.690 -4.140) 11.301 8.754 ( -9.295 -9.918 8.853) 16.222 9.152 ( -7.743 5.867 -1.285) 9.799 9.301 ( 2.104 2.730 -0.224) 3.454 9.570 ( 5.344 6.360 -2.528) 8.683 10.190 ( 0.969 -3.361 0.857) 3.601 10.429 ( 0.570 1.887 2.916) 3.520 10.733 ( 3.279 0.037 -1.130) 3.469 10.996 ( -2.649 -6.341 1.293) 6.992 11.162 ( 4.581 -1.465 -2.238) 5.305 11.609 ( 9.170 3.034 4.063) 10.479 11.942 ( -4.968 10.071 4.563) 12.122 12.376 ( 3.354 -6.238 -6.247) 9.443 12.661 ( -0.781 0.726 -1.828) 2.116 13.088 ( 5.089 -1.724 0.972) 5.461 13.302 ( 9.808 6.047 -3.347) 11.999 13.896 ( 2.360 -6.477 0.905) 6.953 14.183 ( 1.542 -2.451 -8.178) 8.675 14.309 ( 2.414 0.861 -2.777) 3.779 14.816 ( 8.661 4.659 1.786) 9.996 15.384 ( 13.860 -6.124 5.214) 16.025 15.893 ( 7.594 13.482 9.345) 18.076 16.509 ( 9.079 7.035 20.147) 23.191 17.871 ( -5.421 0.610 1.738) 5.725 18.049 ( -6.151 1.998 -2.612) 6.975 18.995 ( 6.978 1.425 3.199) 7.808 19.081 ( 2.160 3.288 2.800) 4.828 19.318 ( 0.120 -1.727 -1.882) 2.557 19.764 ( -5.064 0.238 -6.144) 7.965 19.924 ( -0.487 0.807 -6.965) 7.029 20.103 ( -1.828 3.010 0.552) 3.564 20.747 ( 4.603 -6.816 -11.701) 14.302 21.467 ( 1.443 -1.782 7.036) 7.400 21.865 ( -2.865 3.766 0.564) 4.766 22.657 ( 4.638 -5.097 -14.100) 15.694 28.083 ( -4.768 1.132 0.474) 4.924 29.199 ( -2.410 -1.307 -0.761) 2.846 29.309 ( -7.010 -2.079 -1.403) 7.445 29.844 ( 3.053 1.548 2.765) 4.400 36.567 ( 5.107 0.469 -2.476) 5.695 36.758 ( 13.242 -7.979 0.298) 15.463 37.450 ( 7.797 -5.951 -0.236) 9.812 37.905 ( -3.028 13.739 -3.041) 14.393 38.672 ( -14.244 -0.754 10.249) 17.565 40.000 ( 1.062 1.103 -8.552) 8.688 40.572 ( -3.561 -3.637 -1.414) 5.283 42.289 ( -17.958 0.114 41.400) 45.127 ======================= Grid point 16 (12/85) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -22.307 -8.590 -16.520) 29.057 1.697 ( -34.337 -2.656 -2.261) 34.514 2.327 ( -26.814 -11.411 -23.327) 37.328 2.891 ( -36.359 7.672 -19.816) 42.113 3.630 ( -32.862 -11.127 -3.216) 34.843 4.787 ( -70.301 -13.648 -9.688) 72.266 5.922 ( 13.233 3.948 -4.591) 14.553 6.283 ( -3.643 -5.543 4.316) 7.914 6.495 ( -8.775 6.949 -8.066) 13.797 7.008 ( 1.533 3.542 3.033) 4.909 7.496 ( -3.133 -2.646 1.151) 4.259 7.797 ( -14.881 -10.523 0.177) 18.226 8.233 ( -19.390 -3.741 0.770) 19.762 8.299 ( 4.624 2.328 -1.896) 5.513 8.737 ( -5.716 -2.880 9.101) 11.126 9.000 ( -7.878 2.670 -7.878) 11.457 9.406 ( 4.651 -3.518 6.262) 8.557 9.639 ( 5.952 8.218 -2.895) 10.551 10.093 ( -6.770 -4.253 -3.374) 8.678 10.527 ( 3.890 1.546 7.467) 8.561 10.789 ( 5.945 0.504 -0.915) 6.036 10.974 ( 1.407 -4.213 1.907) 4.834 11.224 ( 8.002 -2.209 -3.661) 9.072 11.836 ( 9.191 2.662 6.915) 11.806 11.996 ( -4.003 12.709 -0.843) 13.351 12.227 ( 0.064 -10.603 -6.466) 12.419 12.489 ( -11.939 2.772 -3.095) 12.642 13.090 ( 5.731 -5.174 -6.687) 10.214 13.594 ( 17.190 9.117 5.456) 20.208 13.922 ( 3.427 -2.900 1.944) 4.892 14.078 ( 3.314 -5.713 -5.395) 8.528 14.317 ( 1.802 2.486 -1.746) 3.532 14.995 ( 12.249 3.704 1.755) 12.917 15.541 ( 11.378 -3.428 0.234) 11.885 16.187 ( 10.831 4.353 6.615) 13.417 17.115 ( 5.358 8.868 39.052) 40.403 17.814 ( -6.068 -2.312 1.458) 6.655 17.966 ( -7.826 3.621 1.011) 8.683 19.115 ( 4.687 1.364 1.024) 4.988 19.187 ( 4.528 0.583 3.204) 5.577 19.281 ( 0.556 -0.747 -2.222) 2.410 19.603 ( -4.473 1.143 -7.536) 8.838 19.807 ( 4.011 3.789 -13.774) 14.838 20.122 ( -1.986 5.095 1.329) 5.628 20.515 ( 2.878 -10.166 -17.936) 20.817 21.564 ( 1.936 -1.570 4.252) 4.929 21.882 ( -5.249 4.718 5.089) 8.701 22.409 ( 5.630 -4.615 -22.924) 24.052 28.033 ( -4.916 0.070 0.136) 4.919 29.138 ( -3.053 -2.109 -1.153) 3.885 29.208 ( -5.854 -0.211 -0.301) 5.866 29.915 ( 1.616 0.611 1.686) 2.414 36.568 ( 1.742 -2.249 -0.922) 2.991 36.920 ( 15.889 -2.597 1.659) 16.186 37.494 ( 8.081 -2.386 -2.511) 8.792 37.925 ( -3.331 6.898 1.005) 7.725 38.641 ( -14.457 0.145 8.762) 16.906 39.905 ( 0.258 0.691 -5.255) 5.307 40.478 ( -3.728 -3.188 -1.596) 5.158 42.793 ( -16.941 -0.286 52.811) 55.462 ======================= Grid point 17 (13/85) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -32.264 -0.000 0.000) 32.264 1.156 ( -44.348 -0.000 0.000) 44.348 1.798 ( -28.698 -0.000 0.000) 28.698 2.080 ( -69.090 -0.000 0.000) 69.090 3.263 ( -20.173 -0.000 0.000) 20.173 3.924 ( -47.095 -0.000 0.000) 47.095 6.045 ( 11.895 0.000 -0.000) 11.895 6.262 ( -2.760 -0.000 0.000) 2.760 6.342 ( -8.337 -0.000 0.000) 8.337 7.084 ( 4.453 0.000 -0.000) 4.453 7.445 ( -5.089 -0.000 0.000) 5.089 7.589 ( -11.809 -0.000 0.000) 11.809 7.891 ( -29.056 -0.000 0.000) 29.056 8.379 ( 8.374 0.000 -0.000) 8.374 8.801 ( -3.075 -0.000 0.000) 3.075 8.802 ( -5.968 -0.000 0.000) 5.968 9.513 ( 5.991 0.000 -0.000) 5.991 9.718 ( 4.067 0.000 -0.000) 4.067 9.954 ( -7.444 -0.000 0.000) 7.444 10.705 ( 7.471 0.000 -0.000) 7.471 10.863 ( 6.343 0.000 -0.000) 6.343 10.987 ( 3.024 0.000 -0.000) 3.024 11.165 ( -3.592 -0.000 0.000) 3.592 11.978 ( -1.443 -0.000 0.000) 1.443 12.020 ( 3.319 0.000 -0.000) 3.319 12.136 ( 1.111 0.000 -0.000) 1.111 12.363 ( -8.482 -0.000 0.000) 8.482 13.051 ( 4.521 0.000 -0.000) 4.521 13.839 ( 11.860 0.000 -0.000) 11.860 14.006 ( 1.976 0.000 -0.000) 1.976 14.024 ( 5.182 0.000 -0.000) 5.182 14.324 ( -0.161 -0.000 0.000) 0.161 15.186 ( 12.990 0.000 -0.000) 12.990 15.640 ( 8.454 0.000 -0.000) 8.454 16.388 ( 10.832 0.000 -0.000) 10.832 17.635 ( -1.432 -0.000 0.000) 1.432 17.756 ( -4.005 -0.000 0.000) 4.005 18.145 ( 15.016 0.000 -0.000) 15.016 19.062 ( -4.503 -0.000 0.000) 4.503 19.265 ( 0.814 0.000 -0.000) 0.814 19.268 ( 4.285 0.000 -0.000) 4.285 19.493 ( -1.387 -0.000 0.000) 1.387 19.635 ( -2.953 -0.000 0.000) 2.953 20.156 ( -4.011 -0.000 0.000) 4.011 20.219 ( -3.036 -0.000 0.000) 3.036 21.614 ( 1.805 0.000 -0.000) 1.805 22.010 ( -3.397 -0.000 0.000) 3.397 22.046 ( -2.999 -0.000 0.000) 2.999 27.980 ( -3.923 -0.000 0.000) 3.923 29.082 ( -2.722 -0.000 0.000) 2.722 29.154 ( -3.452 -0.000 0.000) 3.452 29.942 ( 0.504 0.000 -0.000) 0.504 36.568 ( 1.205 0.000 -0.000) 1.205 37.109 ( 12.853 0.000 -0.000) 12.853 37.544 ( 5.752 0.000 -0.000) 5.752 37.930 ( -2.057 -0.000 0.000) 2.057 38.589 ( -9.207 -0.000 0.000) 9.207 39.867 ( 0.046 0.000 -0.000) 0.046 40.411 ( -2.902 -0.000 0.000) 2.902 43.326 ( 3.406 0.000 -0.000) 3.406 ======================= Grid point 20 (14/85) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 -10.045 18.371) 20.938 2.725 ( -0.000 12.077 25.750) 28.442 3.294 ( -0.000 27.964 15.263) 31.858 3.740 ( -0.000 27.835 12.318) 30.439 4.552 ( -0.000 6.682 45.225) 45.716 5.371 ( -0.000 32.242 36.363) 48.599 5.815 ( 0.000 -2.904 -14.869) 15.150 6.425 ( 0.000 -11.169 1.723) 11.301 6.896 ( 0.000 -0.439 -5.182) 5.200 7.119 ( -0.000 2.902 -0.075) 2.903 7.385 ( -0.000 -1.893 10.876) 11.039 7.529 ( -0.000 3.775 -0.787) 3.856 7.906 ( -0.000 19.523 5.756) 20.354 8.202 ( -0.000 15.949 6.837) 17.353 8.541 ( 0.000 -9.494 -0.958) 9.543 9.203 ( -0.000 12.316 0.687) 12.335 9.436 ( -0.000 0.449 2.906) 2.940 9.626 ( 0.000 -7.190 -6.752) 9.864 10.027 ( -0.000 0.949 -2.953) 3.102 10.282 ( -0.000 4.858 -2.355) 5.398 10.756 ( 0.000 -5.049 -3.009) 5.878 11.031 ( 0.000 -4.777 8.167) 9.461 11.312 ( 0.000 -14.708 0.237) 14.710 11.788 ( -0.000 6.233 -4.245) 7.542 11.844 ( 0.000 -7.381 -3.538) 8.185 12.548 ( -0.000 6.060 -1.442) 6.229 12.765 ( -0.000 10.477 8.427) 13.445 13.119 ( 0.000 -9.301 -5.437) 10.774 13.456 ( 0.000 -15.096 -6.012) 16.249 13.784 ( 0.000 -3.925 0.778) 4.001 14.037 ( -0.000 1.089 0.620) 1.253 14.446 ( 0.000 -5.244 -2.344) 5.744 14.974 ( 0.000 -1.324 -2.317) 2.668 15.247 ( 0.000 -10.185 -9.257) 13.763 15.713 ( 0.000 0.226 -14.840) 14.842 16.043 ( -0.000 10.225 -13.918) 17.271 17.617 ( -0.000 15.096 -1.528) 15.174 18.139 ( -0.000 6.073 5.060) 7.904 18.813 ( -0.000 4.619 -10.055) 11.065 19.200 ( 0.000 -4.106 0.014) 4.106 19.325 ( 0.000 -2.379 2.099) 3.173 19.967 ( -0.000 -0.347 3.699) 3.715 20.079 ( -0.000 0.373 4.836) 4.850 20.194 ( 0.000 -0.944 2.046) 2.254 21.110 ( 0.000 -8.098 -3.354) 8.765 21.242 ( 0.000 -3.979 -0.266) 3.988 21.856 ( -0.000 3.609 -0.009) 3.609 23.471 ( 0.000 -35.713 3.150) 35.852 28.080 ( -0.000 5.257 2.734) 5.926 29.118 ( -0.000 2.311 1.864) 2.969 29.300 ( -0.000 3.274 3.835) 5.042 29.860 ( 0.000 -2.983 -1.242) 3.232 36.170 ( 0.000 -5.744 -7.320) 9.305 36.853 ( -0.000 7.038 -6.207) 9.384 37.297 ( 0.000 -11.223 -0.607) 11.239 37.880 ( -0.000 21.153 -8.257) 22.707 38.592 ( -0.000 4.724 12.684) 13.535 40.137 ( -0.000 2.731 -4.673) 5.412 40.496 ( -0.000 7.011 7.578) 10.324 41.330 ( -0.000 16.900 12.979) 21.309 ======================= Grid point 21 (15/85) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -3.140 -13.938 12.130) 18.742 2.975 ( -21.817 9.137 17.203) 29.247 3.692 ( 14.409 5.588 3.962) 15.955 4.208 ( 8.771 39.782 10.699) 42.119 5.134 ( -7.420 -1.447 14.823) 16.639 5.544 ( 5.444 12.494 2.106) 13.790 6.150 ( -9.899 3.170 12.938) 16.596 6.301 ( 2.846 7.986 11.135) 13.995 6.673 ( -3.321 -8.987 -12.262) 15.561 7.180 ( 0.278 4.288 0.989) 4.409 7.458 ( -2.178 -4.289 8.637) 9.886 7.707 ( 3.274 7.896 12.818) 15.407 8.173 ( 6.818 8.172 4.365) 11.503 8.482 ( 0.785 12.851 11.650) 17.363 8.590 ( 8.119 1.368 7.316) 11.014 9.259 ( -5.131 10.659 -1.481) 11.922 9.322 ( -8.692 -3.169 -0.265) 9.255 9.664 ( 15.068 1.218 -2.292) 15.289 9.874 ( -12.024 -1.175 -5.636) 13.331 10.383 ( 14.060 2.930 -1.842) 14.479 10.703 ( -3.715 -1.878 0.614) 4.208 10.927 ( -5.786 -11.297 -2.528) 12.942 11.403 ( -0.168 -4.325 9.322) 10.278 11.708 ( 3.321 -4.155 -0.938) 5.401 11.821 ( -4.257 4.667 2.544) 6.810 12.491 ( -4.228 -0.037 -7.216) 8.364 12.728 ( -15.995 1.545 -4.382) 16.656 13.064 ( 5.005 0.162 -0.436) 5.026 13.340 ( 5.291 -13.717 -3.285) 15.065 13.859 ( 8.789 -2.136 6.020) 10.865 14.056 ( 1.164 0.854 -1.214) 1.886 14.346 ( 1.451 -6.712 -5.774) 8.972 14.914 ( -2.066 -6.065 -6.783) 9.331 15.007 ( -4.339 -6.722 -2.076) 8.265 15.491 ( 1.416 6.324 -15.852) 17.125 15.945 ( 5.315 5.899 -10.701) 13.325 17.728 ( 1.422 15.985 0.269) 16.050 18.257 ( -1.371 7.086 4.613) 8.565 18.704 ( 2.126 3.147 -8.474) 9.286 19.147 ( -3.934 -3.231 0.260) 5.097 19.348 ( 1.424 -2.917 1.489) 3.572 19.977 ( -0.967 0.181 -0.772) 1.251 20.132 ( -1.860 -2.810 4.146) 5.343 20.231 ( -2.605 0.503 3.892) 4.710 20.957 ( 1.494 -7.365 -8.722) 11.513 21.262 ( -0.057 -4.884 5.502) 7.357 21.877 ( -0.226 4.069 -0.436) 4.098 23.215 ( -6.925 -26.826 -1.320) 27.736 28.156 ( -1.571 6.205 2.920) 7.035 29.181 ( 2.402 1.861 2.036) 3.658 29.381 ( 0.359 3.151 3.551) 4.761 29.809 ( -1.802 -3.021 -1.131) 3.695 36.088 ( 10.075 -5.670 -6.778) 13.401 36.786 ( -1.443 2.248 -5.231) 5.873 37.228 ( 5.049 -11.661 -1.955) 12.857 37.915 ( -0.688 18.361 -4.832) 18.999 38.785 ( -4.329 4.862 11.710) 13.397 40.094 ( 2.979 3.572 -6.589) 8.065 40.632 ( -0.129 1.992 5.643) 5.985 41.692 ( -1.540 12.790 21.382) 24.963 ======================= Grid point 22 (16/85) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -4.196 -13.114 5.224) 14.727 2.914 ( -25.512 2.018 8.402) 26.936 3.819 ( 3.157 2.927 -5.666) 7.116 4.500 ( 4.836 10.548 -23.270) 26.003 4.997 ( -11.061 13.902 9.249) 20.029 5.778 ( -31.359 -3.124 -2.782) 31.637 6.103 ( 7.943 13.750 25.104) 29.705 6.407 ( -2.181 -8.977 -5.969) 10.998 6.768 ( 8.640 9.001 10.028) 16.007 7.188 ( 0.240 4.990 -3.022) 5.839 7.614 ( 5.224 -1.481 11.071) 12.331 7.906 ( -10.814 -0.547 9.638) 14.496 8.353 ( 5.997 2.651 6.791) 9.440 8.647 ( -3.424 0.084 6.144) 7.034 8.833 ( 2.548 6.600 6.281) 9.460 9.248 ( -7.310 -0.416 0.914) 7.379 9.276 ( 2.871 3.911 1.812) 5.179 9.596 ( -13.965 -2.593 -4.291) 14.838 9.866 ( 14.175 8.340 -0.743) 16.463 10.482 ( -1.312 -2.295 0.577) 2.706 10.648 ( 6.266 2.385 -4.601) 8.131 10.835 ( -2.688 -3.142 2.221) 4.693 11.373 ( -1.105 -4.111 -1.091) 4.394 11.813 ( -10.930 1.883 5.624) 12.435 11.922 ( 10.967 -5.546 12.674) 17.654 12.211 ( -13.109 1.807 -10.238) 16.731 12.558 ( -7.641 2.639 -1.856) 8.294 13.086 ( 7.454 -3.876 -7.290) 11.123 13.233 ( -1.253 -9.054 -0.564) 9.158 13.955 ( -0.063 -13.826 -2.397) 14.032 14.087 ( 10.639 4.178 -2.250) 11.650 14.265 ( 6.178 -2.899 -5.668) 8.871 14.740 ( -2.735 1.078 -2.600) 3.925 15.015 ( 0.690 -2.071 4.696) 5.178 15.403 ( 9.461 13.590 -10.237) 19.468 15.928 ( 11.051 -0.507 -6.113) 12.639 17.860 ( 0.469 13.886 1.598) 13.986 18.298 ( -6.608 5.889 0.349) 8.859 18.693 ( 6.937 3.004 -1.982) 7.815 19.089 ( -4.006 -1.033 0.832) 4.220 19.353 ( 0.428 -3.353 0.490) 3.415 19.931 ( -1.066 -0.436 -3.526) 3.709 20.119 ( -2.597 -4.462 0.214) 5.168 20.230 ( -6.942 2.179 2.922) 7.841 20.806 ( 3.322 -8.693 -7.582) 12.004 21.332 ( 0.682 -3.806 6.866) 7.880 21.897 ( -0.989 5.198 -0.030) 5.291 22.931 ( -6.103 -19.085 -4.628) 20.564 28.207 ( -3.897 5.710 2.413) 7.322 29.242 ( 1.042 0.890 1.491) 2.025 29.451 ( 0.479 1.616 2.004) 2.619 29.757 ( -1.997 -1.472 0.197) 2.488 36.113 ( 15.559 -4.212 -5.590) 17.061 36.700 ( -0.975 -2.937 -3.558) 4.715 37.197 ( 9.239 -8.695 -4.113) 13.337 37.960 ( -2.597 14.266 -1.511) 14.579 38.915 ( -8.343 5.105 10.812) 14.579 40.044 ( 2.660 3.402 -7.580) 8.724 40.686 ( -1.650 -2.498 3.028) 4.258 42.101 ( -3.930 9.723 25.997) 28.033 ======================= Grid point 23 (17/85) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -5.084 -11.951 -4.408) 13.715 2.708 ( -27.041 -1.702 6.651) 27.899 3.573 ( -13.593 0.337 -20.770) 24.825 4.051 ( -14.261 -3.371 -18.480) 23.585 5.018 ( -28.178 7.323 -3.916) 29.376 5.500 ( -8.174 6.131 5.375) 11.545 6.255 ( 1.182 -5.851 0.275) 5.976 6.652 ( -0.645 14.647 19.440) 24.349 6.878 ( -7.094 9.260 -3.211) 12.099 7.254 ( 10.508 -2.131 2.196) 10.945 7.581 ( -32.566 -5.410 -2.721) 33.124 7.963 ( 2.310 -3.013 14.971) 15.445 8.398 ( -9.130 -3.703 -0.580) 9.869 8.648 ( -3.126 -6.477 -0.530) 7.211 8.864 ( -10.169 -2.833 4.332) 11.411 9.104 ( 2.075 -2.125 -2.071) 3.621 9.412 ( 6.166 3.931 0.124) 7.314 9.524 ( -6.798 7.523 4.804) 11.220 10.032 ( 9.247 3.836 -1.936) 10.196 10.476 ( -2.772 2.040 4.459) 5.633 10.701 ( 0.960 3.013 0.616) 3.221 10.834 ( 5.368 -1.489 -1.618) 5.801 11.372 ( 0.821 -4.075 2.934) 5.088 11.621 ( -21.476 -6.362 -1.568) 22.454 12.024 ( -1.668 10.455 -1.270) 10.663 12.204 ( 8.115 -8.078 2.586) 11.739 12.544 ( 3.391 4.549 4.724) 7.383 12.995 ( 4.370 0.105 -7.880) 9.011 13.210 ( 1.583 -4.107 0.412) 4.421 13.807 ( 5.018 -13.753 -5.358) 15.590 14.127 ( 5.467 3.655 -10.609) 12.482 14.210 ( 3.664 -4.243 -2.859) 6.293 14.763 ( -3.526 5.498 3.720) 7.517 15.119 ( 7.268 -3.684 5.524) 9.845 15.622 ( 17.808 17.242 -0.183) 24.788 16.057 ( 22.092 -1.362 1.174) 22.165 17.956 ( -2.067 8.201 1.252) 8.550 18.233 ( -8.713 5.522 -0.067) 10.315 18.813 ( 8.000 2.097 2.120) 8.538 19.078 ( -1.855 3.013 1.607) 3.886 19.329 ( -0.740 -3.625 -0.046) 3.700 19.835 ( -0.746 -1.179 -7.158) 7.293 20.011 ( -5.414 -3.632 -3.543) 7.420 20.213 ( -6.507 4.009 2.758) 8.125 20.671 ( 2.481 -10.405 -6.594) 12.566 21.426 ( 1.732 -2.984 6.211) 7.106 21.930 ( -2.446 7.024 1.818) 7.657 22.668 ( -3.615 -13.800 -7.853) 16.285 28.212 ( -5.809 3.945 1.523) 7.186 29.255 ( -1.809 -0.190 0.509) 1.889 29.447 ( -3.525 -1.088 -0.449) 3.717 29.776 ( 1.706 1.204 2.385) 3.170 36.228 ( 18.636 -1.397 -3.561) 19.025 36.621 ( 0.621 -6.552 -2.170) 6.930 37.203 ( 11.449 -5.089 -4.915) 13.458 37.999 ( -3.896 9.866 0.680) 10.629 38.985 ( -11.702 4.682 9.394) 15.719 39.973 ( 1.153 2.759 -7.185) 7.782 40.658 ( -3.397 -4.697 0.810) 5.853 42.521 ( -3.983 6.745 27.803) 28.886 ======================= Grid point 24 (18/85) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -10.723 -8.929 -10.623) 17.537 2.447 ( -28.028 -2.195 1.902) 28.178 3.007 ( -27.527 -4.935 -12.215) 30.517 3.600 ( -24.212 3.564 -12.189) 27.340 4.513 ( -40.428 -2.027 -4.464) 40.724 5.603 ( 7.864 3.281 -0.193) 8.523 6.274 ( -10.629 -0.287 7.865) 13.226 6.662 ( -37.186 5.278 -9.419) 38.721 6.773 ( -29.582 -0.263 0.514) 29.587 7.052 ( -10.606 2.702 4.819) 11.959 7.419 ( 11.069 -3.075 0.662) 11.507 8.029 ( -5.512 -10.910 1.752) 12.348 8.304 ( -7.159 -1.949 1.301) 7.533 8.498 ( -4.911 1.324 0.068) 5.087 8.823 ( 0.275 -8.354 2.099) 8.618 9.241 ( 7.985 4.743 4.836) 10.471 9.418 ( -8.205 0.278 -1.060) 8.278 9.524 ( -6.917 8.908 -0.782) 11.305 10.107 ( 7.154 -1.889 -1.914) 7.643 10.516 ( -3.088 1.582 2.559) 4.311 10.717 ( -0.970 3.213 1.381) 3.630 10.892 ( 5.260 -6.424 -0.947) 8.357 11.220 ( -12.482 -5.024 1.523) 13.541 11.594 ( 10.226 3.041 4.921) 11.749 12.046 ( 0.786 12.823 -11.065) 16.955 12.184 ( 1.876 -12.892 3.412) 13.468 12.699 ( -2.135 4.934 2.391) 5.884 12.974 ( 4.817 -4.434 -4.219) 7.788 13.268 ( 7.234 7.610 4.117) 11.278 13.764 ( 10.924 -10.817 -1.187) 15.419 14.001 ( 2.429 -1.231 -9.191) 9.586 14.234 ( 4.374 1.425 -1.318) 4.786 14.811 ( 1.040 2.814 1.474) 3.342 15.275 ( 9.921 -3.221 3.314) 10.945 15.906 ( 13.430 6.812 1.822) 15.169 16.529 ( 37.051 5.311 9.605) 38.642 17.945 ( -4.727 1.548 -0.976) 5.069 18.192 ( -10.129 5.433 3.750) 12.091 18.954 ( 8.467 0.927 2.124) 8.778 19.129 ( 0.018 4.792 2.002) 5.194 19.293 ( -1.575 -3.171 0.585) 3.588 19.679 ( -0.903 -1.146 -10.437) 10.538 19.865 ( -6.463 -1.331 -3.380) 7.414 20.220 ( -5.555 6.564 3.049) 9.124 20.505 ( -0.626 -11.682 -7.005) 13.636 21.509 ( 2.494 -1.986 3.407) 4.667 21.997 ( -4.299 8.557 5.405) 10.996 22.405 ( -2.840 -10.802 -10.807) 15.542 28.173 ( -6.661 1.672 0.632) 6.897 29.219 ( -3.530 -0.778 -0.231) 3.622 29.366 ( -6.470 -0.936 -0.590) 6.564 29.853 ( 3.232 1.080 1.884) 3.894 36.422 ( 18.629 3.318 -1.458) 18.978 36.567 ( 3.680 -8.743 -0.840) 9.523 37.251 ( 11.698 -2.084 -3.551) 12.402 38.019 ( -4.109 5.296 1.178) 6.805 38.980 ( -13.863 2.852 6.152) 15.433 39.901 ( 0.073 1.470 -4.633) 4.861 40.580 ( -4.582 -3.613 -0.421) 5.850 42.938 ( 0.169 3.817 23.938) 24.241 ======================= Grid point 25 (19/85) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -20.307 -0.000 0.000) 20.307 2.066 ( -32.368 -0.000 0.000) 32.368 2.561 ( -32.793 -0.000 0.000) 32.793 3.174 ( -31.408 -0.000 0.000) 31.408 3.984 ( -38.859 -0.000 0.000) 38.859 5.627 ( -83.778 -0.000 0.000) 83.778 5.736 ( 12.662 0.000 -0.000) 12.662 6.348 ( -4.083 -0.000 0.000) 4.083 6.576 ( -11.107 -0.000 0.000) 11.107 7.080 ( -3.443 -0.000 0.000) 3.443 7.492 ( 3.098 0.000 -0.000) 3.098 7.900 ( -10.004 -0.000 0.000) 10.004 8.229 ( -0.351 -0.000 0.000) 0.351 8.455 ( -11.430 -0.000 0.000) 11.430 8.823 ( 1.423 0.000 -0.000) 1.423 9.157 ( -25.414 -0.000 0.000) 25.414 9.394 ( 3.631 0.000 -0.000) 3.631 9.562 ( 8.493 0.000 -0.000) 8.493 10.106 ( -2.304 -0.000 0.000) 2.304 10.546 ( 3.778 0.000 -0.000) 3.778 10.764 ( -0.174 -0.000 0.000) 0.174 10.859 ( 6.274 0.000 -0.000) 6.274 11.193 ( 0.081 0.000 -0.000) 0.081 11.841 ( 12.772 0.000 -0.000) 12.772 11.946 ( 1.231 0.000 -0.000) 1.231 12.174 ( -2.715 -0.000 0.000) 2.715 12.637 ( -12.249 -0.000 0.000) 12.249 12.947 ( 4.365 0.000 -0.000) 4.365 13.497 ( 13.990 0.000 -0.000) 13.990 13.873 ( 11.003 0.000 -0.000) 11.003 13.936 ( 2.273 0.000 -0.000) 2.273 14.277 ( 3.655 0.000 -0.000) 3.655 14.888 ( 8.553 0.000 -0.000) 8.553 15.404 ( 10.255 0.000 -0.000) 10.255 16.103 ( 12.799 0.000 -0.000) 12.799 17.129 ( 38.685 0.000 -0.000) 38.685 17.875 ( -5.514 -0.000 0.000) 5.514 18.137 ( -9.447 -0.000 0.000) 9.447 19.088 ( 9.488 0.000 -0.000) 9.488 19.154 ( -2.031 -0.000 0.000) 2.031 19.267 ( -1.821 -0.000 0.000) 1.821 19.546 ( -2.006 -0.000 0.000) 2.006 19.752 ( -6.598 -0.000 0.000) 6.598 20.262 ( -4.423 -0.000 0.000) 4.423 20.309 ( -4.350 -0.000 0.000) 4.350 21.559 ( 2.639 0.000 -0.000) 2.639 22.111 ( -4.698 -0.000 0.000) 4.698 22.135 ( -4.234 -0.000 0.000) 4.234 28.104 ( -6.321 -0.000 0.000) 6.321 29.166 ( -4.043 -0.000 0.000) 4.043 29.278 ( -6.630 -0.000 0.000) 6.630 29.907 ( 2.527 0.000 -0.000) 2.527 36.535 ( 1.314 0.000 -0.000) 1.314 36.689 ( 21.253 0.000 -0.000) 21.253 37.347 ( 10.442 0.000 -0.000) 10.442 38.002 ( -3.729 -0.000 0.000) 3.729 38.874 ( -13.866 -0.000 0.000) 13.866 39.868 ( -0.159 -0.000 0.000) 0.159 40.505 ( -4.750 -0.000 0.000) 4.750 43.215 ( 5.588 0.000 -0.000) 5.588 ======================= Grid point 30 (20/85) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 -15.798 4.147) 16.333 3.370 ( 0.000 -0.697 2.072) 2.186 3.691 ( -0.000 5.004 10.864) 11.961 4.363 ( -0.000 24.872 -17.756) 30.560 5.203 ( -0.000 8.688 5.882) 10.492 5.960 ( -0.000 7.139 25.690) 26.663 6.242 ( 0.000 -7.064 -3.404) 7.841 6.448 ( -0.000 4.464 -9.322) 10.336 6.598 ( -0.000 12.735 14.550) 19.336 7.202 ( 0.000 -1.522 0.324) 1.556 7.541 ( 0.000 -2.695 5.208) 5.864 8.003 ( -0.000 6.876 17.944) 19.216 8.291 ( -0.000 7.849 6.102) 9.942 8.622 ( 0.000 -4.161 6.176) 7.447 8.759 ( -0.000 11.480 10.385) 15.480 9.344 ( -0.000 2.242 3.798) 4.410 9.395 ( 0.000 -6.340 -3.307) 7.151 9.540 ( -0.000 16.213 2.184) 16.359 9.904 ( 0.000 0.205 -3.716) 3.722 10.283 ( -0.000 6.101 -0.162) 6.103 10.691 ( 0.000 -2.590 -5.292) 5.892 10.895 ( 0.000 -10.217 7.146) 12.468 11.461 ( 0.000 -3.266 -7.286) 7.984 11.706 ( 0.000 -6.761 15.790) 17.177 11.935 ( -0.000 5.386 3.681) 6.523 12.389 ( 0.000 -1.748 -9.310) 9.473 12.808 ( -0.000 3.361 -3.548) 4.888 12.926 ( 0.000 -3.648 -5.571) 6.659 13.233 ( 0.000 -8.831 0.421) 8.841 13.895 ( -0.000 3.005 6.059) 6.763 14.019 ( 0.000 -7.272 -2.106) 7.570 14.225 ( 0.000 -2.395 -3.511) 4.250 14.652 ( 0.000 -15.404 -15.454) 21.820 15.032 ( -0.000 0.893 2.434) 2.593 15.276 ( -0.000 4.220 -12.366) 13.066 15.799 ( -0.000 9.851 -11.442) 15.099 17.855 ( -0.000 16.319 1.953) 16.435 18.403 ( -0.000 9.399 4.728) 10.521 18.586 ( -0.000 2.919 -6.727) 7.333 19.151 ( 0.000 -2.593 0.070) 2.594 19.340 ( 0.000 -4.011 1.703) 4.357 19.942 ( 0.000 -2.079 -3.853) 4.378 20.155 ( 0.000 -5.180 2.101) 5.590 20.329 ( -0.000 2.308 3.476) 4.172 20.753 ( 0.000 -8.644 -8.130) 11.866 21.324 ( 0.000 -4.389 6.525) 7.864 21.909 ( -0.000 5.966 0.213) 5.970 23.022 ( 0.000 -24.041 -5.189) 24.594 28.262 ( -0.000 6.933 3.155) 7.617 29.214 ( -0.000 1.740 2.438) 2.995 29.444 ( -0.000 2.026 2.308) 3.071 29.790 ( 0.000 -2.286 -0.235) 2.298 35.907 ( 0.000 -4.155 -4.780) 6.333 36.726 ( -0.000 1.696 -5.575) 5.827 37.065 ( 0.000 -11.035 -4.197) 11.806 37.994 ( -0.000 11.868 0.100) 11.868 39.022 ( -0.000 7.734 10.104) 12.725 40.007 ( -0.000 4.715 -6.478) 8.012 40.707 ( 0.000 -3.491 4.468) 5.670 42.143 ( -0.000 11.586 24.035) 26.681 ======================= Grid point 31 (21/85) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -0.917 -13.609 -3.145) 13.997 3.215 ( -12.416 -5.020 -2.722) 13.666 3.833 ( -8.849 6.228 -1.593) 10.937 4.153 ( 3.716 3.675 -16.179) 17.002 5.390 ( -9.930 12.979 8.396) 18.372 5.958 ( -11.352 -8.363 -5.097) 14.993 6.182 ( -0.425 0.060 0.047) 0.432 6.656 ( -0.394 10.821 20.893) 23.532 6.884 ( 3.192 19.233 5.876) 20.363 7.156 ( -1.372 -1.177 -3.884) 4.284 7.674 ( 7.685 2.552 6.864) 10.616 8.193 ( -9.689 -1.258 10.728) 14.510 8.392 ( 0.817 -5.670 3.968) 6.969 8.679 ( 3.976 0.606 -0.986) 4.141 8.943 ( 4.817 -0.977 4.913) 6.950 9.285 ( -0.695 0.666 -3.656) 3.781 9.412 ( -13.563 -2.624 10.297) 17.230 9.711 ( -6.200 10.018 -1.607) 11.890 9.823 ( 1.104 6.468 3.500) 7.437 10.444 ( 10.818 7.990 1.591) 13.543 10.603 ( -1.621 2.957 -1.190) 3.576 10.929 ( -6.296 -10.441 7.474) 14.301 11.293 ( 1.489 -3.082 -6.563) 7.402 11.924 ( 5.118 -1.227 5.360) 7.512 12.012 ( -2.527 -3.344 8.932) 9.867 12.213 ( -4.556 1.330 -6.402) 7.970 12.707 ( -13.350 6.335 -1.251) 14.829 12.888 ( 3.625 -4.954 -2.050) 6.472 13.153 ( 2.276 -7.836 -3.471) 8.868 13.796 ( -10.429 -14.413 -5.114) 18.512 14.000 ( 2.592 4.378 -5.765) 7.689 14.188 ( -0.303 -2.197 0.305) 2.239 14.551 ( 27.661 -4.056 -3.894) 28.227 15.085 ( -0.566 0.122 3.486) 3.533 15.179 ( 6.046 7.683 -9.464) 13.607 15.739 ( 5.987 6.055 -7.522) 11.362 17.983 ( -0.465 11.788 1.597) 11.905 18.428 ( -6.846 6.670 -0.983) 9.608 18.640 ( 6.078 6.640 2.366) 9.308 19.131 ( -1.781 -0.419 0.749) 1.977 19.338 ( 0.032 -4.881 1.782) 5.196 19.833 ( 0.347 -4.319 -7.632) 8.776 20.117 ( -2.732 -5.708 -0.390) 6.340 20.352 ( -4.009 3.575 0.967) 5.458 20.616 ( 1.887 -8.652 -3.920) 9.684 21.395 ( 0.696 -3.566 5.602) 6.677 21.972 ( -0.964 8.462 2.489) 8.873 22.758 ( -2.709 -19.158 -7.185) 20.640 28.331 ( -3.266 5.719 2.432) 7.020 29.267 ( 0.530 1.110 2.092) 2.427 29.472 ( 0.180 0.005 0.216) 0.281 29.780 ( -1.034 -0.286 1.219) 1.624 35.878 ( 8.600 -2.598 -3.068) 9.494 36.642 ( -1.646 -1.308 -4.058) 4.570 36.971 ( 6.594 -6.936 -4.860) 10.734 38.066 ( -1.489 6.883 1.787) 7.266 39.192 ( -4.878 7.863 8.595) 12.629 39.949 ( 0.678 4.275 -5.922) 7.335 40.719 ( -1.452 -6.079 2.601) 6.770 42.559 ( -0.271 8.733 21.235) 22.962 ======================= Grid point 32 (22/85) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -3.933 -8.624 -6.038) 11.239 2.977 ( -15.506 -3.521 -3.093) 16.198 3.556 ( -17.393 0.623 -8.927) 19.560 4.023 ( -11.090 1.372 -2.979) 11.565 5.334 ( -17.974 4.540 -1.486) 18.598 5.627 ( -18.007 -4.425 -3.483) 18.867 6.318 ( 3.062 4.725 8.040) 9.815 6.909 ( -2.082 6.043 0.382) 6.403 7.047 ( 0.289 -1.407 5.847) 6.021 7.156 ( 0.883 13.978 2.903) 14.303 7.853 ( -5.284 2.449 2.895) 6.504 8.134 ( -9.391 -8.434 6.592) 14.240 8.424 ( 0.823 -1.580 2.150) 2.792 8.645 ( -5.586 -1.145 -1.590) 5.920 8.945 ( -1.931 -8.179 -7.469) 11.243 9.181 ( -22.232 0.960 4.962) 22.799 9.294 ( 6.126 -2.380 -1.821) 6.820 9.763 ( -2.259 6.123 7.387) 9.857 9.933 ( 2.956 4.134 -1.915) 5.431 10.570 ( -0.022 2.303 2.853) 3.667 10.715 ( 5.922 8.408 1.617) 10.410 10.838 ( -5.103 -6.050 2.110) 8.191 11.320 ( 9.569 -2.190 1.418) 9.918 11.841 ( -22.883 -1.572 -3.643) 23.224 12.036 ( -1.911 3.502 0.139) 3.992 12.157 ( -1.919 -6.145 0.245) 6.442 12.633 ( -0.012 3.765 5.065) 6.311 12.884 ( 4.033 -0.633 -3.082) 5.115 13.154 ( 5.031 -0.022 2.745) 5.731 13.529 ( 2.748 -11.880 -9.518) 15.468 13.945 ( 2.835 0.556 -6.554) 7.162 14.175 ( -0.058 -0.728 0.179) 0.752 14.843 ( 7.540 1.360 3.626) 8.476 15.104 ( 2.867 -2.147 2.975) 4.656 15.346 ( 31.847 8.334 -5.138) 33.318 15.814 ( 14.829 1.685 -1.548) 15.004 18.030 ( -2.320 4.038 -0.533) 4.687 18.403 ( -6.851 6.805 2.088) 9.879 18.783 ( 5.184 3.230 2.155) 6.478 19.143 ( -0.852 3.717 1.301) 4.029 19.333 ( -1.253 -4.540 3.143) 5.662 19.671 ( 1.065 -4.392 -9.953) 10.931 20.016 ( -5.280 -3.291 -1.571) 6.417 20.345 ( -4.200 4.684 1.267) 6.418 20.525 ( -0.875 -8.157 -2.265) 8.511 21.456 ( 1.752 -2.210 2.967) 4.094 22.080 ( -2.524 10.657 5.618) 12.309 22.487 ( -3.287 -14.821 -8.289) 17.297 28.332 ( -6.112 2.983 1.174) 6.902 29.287 ( -1.844 0.098 0.858) 2.036 29.461 ( -0.930 -0.683 -0.551) 1.279 29.801 ( 0.413 0.769 1.520) 1.753 35.975 ( 15.322 -0.924 -1.414) 15.415 36.559 ( -1.407 -2.878 -2.054) 3.805 36.978 ( 10.348 -2.558 -3.337) 11.170 38.102 ( -2.586 3.335 1.424) 4.454 39.264 ( -9.158 4.848 5.612) 11.784 39.900 ( 0.071 2.545 -4.023) 4.761 40.677 ( -3.191 -4.576 0.792) 5.635 42.893 ( 2.394 4.705 14.244) 15.191 ======================= Grid point 33 (23/85) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -8.619 -0.000 0.000) 8.619 2.711 ( -21.553 -0.000 0.000) 21.553 3.252 ( -23.742 -0.000 0.000) 23.742 3.795 ( -21.341 -0.000 0.000) 21.341 4.964 ( -39.342 -0.000 0.000) 39.342 5.517 ( 3.346 0.000 -0.000) 3.346 6.426 ( -1.437 -0.000 0.000) 1.437 6.786 ( -11.443 -0.000 0.000) 11.443 7.185 ( -9.683 -0.000 0.000) 9.683 7.236 ( 15.940 0.000 -0.000) 15.940 7.513 ( -52.957 -0.000 0.000) 52.957 8.053 ( -6.219 -0.000 0.000) 6.219 8.397 ( -6.804 -0.000 0.000) 6.804 8.561 ( -5.759 -0.000 0.000) 5.759 8.780 ( 0.380 0.000 -0.000) 0.380 9.222 ( 8.892 0.000 -0.000) 8.892 9.312 ( 4.539 0.000 -0.000) 4.539 9.793 ( -14.930 -0.000 0.000) 14.930 9.967 ( 10.499 0.000 -0.000) 10.499 10.579 ( -3.315 -0.000 0.000) 3.315 10.763 ( 1.056 0.000 -0.000) 1.056 10.852 ( -0.844 -0.000 0.000) 0.844 11.434 ( -28.027 -0.000 0.000) 28.027 11.485 ( 14.715 0.000 -0.000) 14.715 11.978 ( -3.658 -0.000 0.000) 3.658 12.173 ( 3.176 0.000 -0.000) 3.176 12.792 ( 7.721 0.000 -0.000) 7.721 12.835 ( -2.478 -0.000 0.000) 2.478 13.299 ( 2.877 0.000 -0.000) 2.877 13.485 ( 18.030 0.000 -0.000) 18.030 13.907 ( 0.810 0.000 -0.000) 0.810 14.190 ( 2.510 0.000 -0.000) 2.510 14.855 ( -3.987 -0.000 0.000) 3.987 15.194 ( 6.973 0.000 -0.000) 6.973 15.730 ( 24.437 0.000 -0.000) 24.437 16.117 ( 37.779 0.000 -0.000) 37.779 17.994 ( -4.106 -0.000 0.000) 4.106 18.366 ( -8.455 -0.000 0.000) 8.455 18.878 ( 7.057 0.000 -0.000) 7.057 19.170 ( -0.130 -0.000 0.000) 0.130 19.333 ( -2.802 -0.000 0.000) 2.802 19.561 ( 0.803 0.000 -0.000) 0.803 19.919 ( -6.746 -0.000 0.000) 6.746 20.351 ( -2.882 -0.000 0.000) 2.882 20.420 ( -4.691 -0.000 0.000) 4.691 21.496 ( 2.443 0.000 -0.000) 2.443 22.216 ( -3.797 -0.000 0.000) 3.797 22.235 ( -3.938 -0.000 0.000) 3.938 28.270 ( -7.266 -0.000 0.000) 7.266 29.259 ( -3.442 -0.000 0.000) 3.442 29.424 ( -4.253 -0.000 0.000) 4.253 29.836 ( 2.601 0.000 -0.000) 2.601 36.176 ( 20.127 0.000 -0.000) 20.127 36.520 ( -0.332 -0.000 0.000) 0.332 37.075 ( 11.707 0.000 -0.000) 11.707 38.090 ( -3.321 -0.000 0.000) 3.321 39.198 ( -12.315 -0.000 0.000) 12.315 39.874 ( -0.298 -0.000 0.000) 0.298 40.619 ( -4.432 -0.000 0.000) 4.432 43.079 ( 5.394 0.000 -0.000) 5.394 ======================= Grid point 40 (24/85) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.000 -8.645 -4.684) 9.832 3.160 ( 0.000 -3.597 -5.562) 6.624 3.774 ( 0.000 1.570 -12.447) 12.546 4.144 ( -0.000 2.907 6.001) 6.668 5.502 ( 0.000 -2.317 -4.091) 4.702 6.030 ( -0.000 2.390 6.102) 6.553 6.184 ( -0.000 2.579 -0.510) 2.629 6.855 ( -0.000 0.026 5.951) 5.951 7.089 ( 0.000 -2.914 -3.582) 4.618 7.236 ( -0.000 28.344 11.165) 30.464 7.722 ( -0.000 3.680 4.039) 5.464 8.329 ( 0.000 -21.143 0.640) 21.153 8.383 ( -0.000 1.504 4.932) 5.156 8.650 ( -0.000 6.628 -0.290) 6.635 8.871 ( 0.000 -8.713 -2.372) 9.030 9.193 ( 0.000 0.057 -5.660) 5.660 9.712 ( -0.000 0.163 11.223) 11.224 9.833 ( -0.000 3.942 1.111) 4.096 9.930 ( -0.000 8.192 4.088) 9.155 10.495 ( -0.000 12.254 5.131) 13.285 10.622 ( -0.000 4.485 -0.322) 4.497 10.978 ( 0.000 -13.953 -1.887) 14.080 11.152 ( 0.000 -2.937 -0.614) 3.001 11.955 ( -0.000 5.087 0.146) 5.089 12.087 ( 0.000 -6.761 2.977) 7.388 12.181 ( 0.000 -0.424 1.704) 1.756 12.705 ( -0.000 2.549 -7.821) 8.226 12.951 ( 0.000 -1.924 0.059) 1.925 13.089 ( -0.000 -0.210 9.997) 9.999 13.810 ( 0.000 -6.945 -15.190) 16.703 13.893 ( 0.000 -12.506 -1.259) 12.569 14.141 ( -0.000 7.443 -1.658) 7.625 14.189 ( 0.000 -1.186 0.253) 1.212 15.073 ( -0.000 2.714 -2.136) 3.454 15.164 ( -0.000 1.565 0.635) 1.689 15.641 ( -0.000 4.852 -4.881) 6.882 18.057 ( -0.000 5.105 -0.115) 5.106 18.488 ( -0.000 4.523 -0.281) 4.532 18.722 ( -0.000 7.970 3.595) 8.743 19.156 ( -0.000 1.581 0.901) 1.820 19.346 ( 0.000 -5.254 4.225) 6.742 19.654 ( 0.000 -5.384 -10.020) 11.375 20.084 ( 0.000 -4.621 -1.129) 4.757 20.396 ( -0.000 2.882 -0.569) 2.937 20.538 ( 0.000 -4.899 0.050) 4.899 21.434 ( 0.000 -2.291 2.769) 3.594 22.111 ( -0.000 11.332 5.749) 12.707 22.531 ( 0.000 -16.544 -8.147) 18.441 28.416 ( -0.000 3.492 1.461) 3.785 29.305 ( -0.000 1.061 1.894) 2.171 29.457 ( 0.000 -1.082 -1.022) 1.489 29.808 ( -0.000 0.447 1.222) 1.301 35.782 ( 0.000 -1.104 -1.261) 1.676 36.596 ( 0.000 -0.583 -2.675) 2.738 36.828 ( 0.000 -4.053 -2.840) 4.950 38.134 ( -0.000 2.714 1.524) 3.112 39.379 ( -0.000 5.529 5.366) 7.704 39.899 ( -0.000 3.121 -3.676) 4.822 40.717 ( 0.000 -5.147 1.310) 5.311 42.860 ( -0.000 4.959 11.744) 12.748 ======================= Grid point 42 (25/85) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -2.267 -0.000 0.000) 2.267 3.057 ( -7.264 -0.000 0.000) 7.264 3.635 ( -8.001 -0.000 0.000) 8.001 4.155 ( -8.108 -0.000 0.000) 8.108 5.422 ( -4.141 -0.000 0.000) 4.141 5.879 ( -24.406 -0.000 0.000) 24.406 6.331 ( 10.550 0.000 -0.000) 10.550 6.936 ( 6.136 0.000 -0.000) 6.136 7.004 ( -5.958 -0.000 0.000) 5.958 7.387 ( -8.297 -0.000 0.000) 8.297 7.846 ( 9.008 0.000 -0.000) 9.008 8.198 ( -4.495 -0.000 0.000) 4.495 8.435 ( 1.128 0.000 -0.000) 1.128 8.721 ( 1.551 0.000 -0.000) 1.551 8.792 ( 0.925 0.000 -0.000) 0.925 9.175 ( 4.542 0.000 -0.000) 4.542 9.622 ( -32.230 -0.000 0.000) 32.230 9.809 ( 1.808 0.000 -0.000) 1.808 9.985 ( -4.215 -0.000 0.000) 4.215 10.589 ( 1.798 0.000 -0.000) 1.798 10.760 ( 6.871 0.000 -0.000) 6.871 10.798 ( -3.152 -0.000 0.000) 3.152 11.212 ( 7.614 0.000 -0.000) 7.614 11.948 ( -4.137 -0.000 0.000) 4.137 12.094 ( 1.734 0.000 -0.000) 1.734 12.200 ( -5.398 -0.000 0.000) 5.398 12.657 ( 3.199 0.000 -0.000) 3.199 12.858 ( -8.719 -0.000 0.000) 8.719 13.276 ( 0.137 0.000 -0.000) 0.137 13.353 ( -14.501 -0.000 0.000) 14.501 13.875 ( 1.383 0.000 -0.000) 1.383 14.181 ( -0.777 -0.000 0.000) 0.777 14.536 ( 43.939 0.000 -0.000) 43.939 15.081 ( 2.423 0.000 -0.000) 2.423 15.157 ( -0.698 -0.000 0.000) 0.698 15.672 ( 8.176 0.000 -0.000) 8.176 18.061 ( -1.439 -0.000 0.000) 1.439 18.495 ( -2.207 -0.000 0.000) 2.207 18.785 ( 1.018 0.000 -0.000) 1.018 19.173 ( -0.134 -0.000 0.000) 0.134 19.381 ( -1.065 -0.000 0.000) 1.065 19.527 ( 1.285 0.000 -0.000) 1.285 20.039 ( -2.827 -0.000 0.000) 2.827 20.396 ( -0.940 -0.000 0.000) 0.940 20.509 ( -2.274 -0.000 0.000) 2.274 21.453 ( 1.027 0.000 -0.000) 1.027 22.280 ( -1.425 -0.000 0.000) 1.425 22.307 ( -1.760 -0.000 0.000) 1.760 28.415 ( -3.946 -0.000 0.000) 3.946 29.318 ( -1.333 -0.000 0.000) 1.333 29.449 ( 0.998 0.000 -0.000) 0.998 29.817 ( -0.460 -0.000 0.000) 0.460 35.819 ( 8.358 0.000 -0.000) 8.358 36.556 ( -2.196 -0.000 0.000) 2.196 36.837 ( 6.949 0.000 -0.000) 6.949 38.147 ( -1.301 -0.000 0.000) 1.301 39.412 ( -4.947 -0.000 0.000) 4.947 39.880 ( -0.146 -0.000 0.000) 0.146 40.697 ( -1.806 -0.000 0.000) 1.806 42.983 ( 2.291 0.000 -0.000) 2.291 ======================= Grid point 93 (26/85) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -0.000 -0.000 37.562) 37.562 1.803 ( -0.000 -0.000 35.251) 35.251 2.639 ( -0.000 -0.000 29.842) 29.842 3.065 ( -0.000 -0.000 8.782) 8.782 3.893 ( -0.000 -0.000 68.477) 68.477 4.008 ( -0.000 -0.000 29.104) 29.104 6.081 ( 0.000 0.000 -8.137) 8.137 6.653 ( -0.000 -0.000 10.489) 10.489 6.686 ( -0.000 -0.000 13.585) 13.585 7.219 ( 0.000 0.000 -7.035) 7.035 7.235 ( 0.000 0.000 -2.024) 2.024 7.396 ( -0.000 -0.000 10.333) 10.333 7.433 ( 0.000 0.000 -0.062) 0.062 8.103 ( 0.000 0.000 -13.088) 13.088 8.903 ( 0.000 0.000 -12.309) 12.309 8.913 ( -0.000 -0.000 0.982) 0.982 9.334 ( -0.000 -0.000 11.033) 11.033 9.861 ( 0.000 0.000 -0.534) 0.534 10.028 ( -0.000 -0.000 0.564) 0.564 10.195 ( 0.000 0.000 -8.219) 8.219 10.899 ( -0.000 -0.000 5.271) 5.271 10.983 ( 0.000 0.000 -9.214) 9.214 11.773 ( 0.000 0.000 -10.222) 10.222 11.779 ( 0.000 0.000 -7.956) 7.956 12.028 ( -0.000 -0.000 4.094) 4.094 12.374 ( -0.000 -0.000 3.989) 3.989 12.431 ( -0.000 -0.000 14.228) 14.228 13.401 ( 0.000 0.000 -7.905) 7.905 13.827 ( 0.000 0.000 -5.019) 5.019 13.850 ( 0.000 0.000 -3.427) 3.427 13.992 ( 0.000 0.000 -5.891) 5.891 14.531 ( -0.000 -0.000 1.420) 1.420 14.874 ( 0.000 0.000 -0.147) 0.147 15.435 ( 0.000 0.000 -8.856) 8.856 15.868 ( -0.000 -0.000 0.365) 0.365 16.211 ( 0.000 0.000 -14.263) 14.263 17.420 ( 0.000 0.000 -5.731) 5.731 17.979 ( -0.000 -0.000 5.775) 5.775 18.868 ( 0.000 0.000 -10.183) 10.183 19.295 ( 0.000 0.000 -0.208) 0.208 19.305 ( -0.000 -0.000 1.871) 1.871 19.876 ( -0.000 -0.000 10.899) 10.899 20.033 ( 0.000 0.000 -0.822) 0.822 20.187 ( -0.000 -0.000 1.845) 1.845 21.263 ( -0.000 -0.000 2.054) 2.054 21.340 ( 0.000 0.000 -8.156) 8.156 21.789 ( -0.000 -0.000 1.687) 1.687 24.275 ( 0.000 0.000 -8.948) 8.948 27.980 ( -0.000 -0.000 2.023) 2.023 29.042 ( -0.000 -0.000 1.417) 1.417 29.195 ( -0.000 -0.000 4.329) 4.329 29.931 ( 0.000 0.000 -0.608) 0.608 36.348 ( 0.000 0.000 -6.988) 6.988 36.601 ( 0.000 0.000 -2.095) 2.095 37.418 ( -0.000 -0.000 3.084) 3.084 37.690 ( 0.000 0.000 -8.985) 8.985 38.296 ( -0.000 -0.000 15.826) 15.826 40.116 ( 0.000 0.000 -5.266) 5.266 40.240 ( -0.000 -0.000 14.223) 14.223 40.823 ( -0.000 -0.000 14.639) 14.639 ======================= Grid point 94 (27/85) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -11.371 -6.565 32.744) 35.279 2.446 ( 1.942 1.121 25.561) 25.659 3.136 ( 21.624 12.485 20.118) 32.066 3.341 ( 10.199 5.889 11.931) 16.765 4.485 ( 1.928 1.113 38.539) 38.603 5.059 ( 16.309 9.416 53.357) 56.583 5.873 ( -0.042 -0.025 -16.686) 16.686 6.549 ( -20.414 -11.786 0.201) 23.573 6.873 ( -1.311 -0.757 8.680) 8.811 7.120 ( -0.024 -0.014 -5.897) 5.897 7.239 ( 4.886 2.821 -1.907) 5.956 7.605 ( -4.117 -2.377 17.834) 18.457 7.710 ( 25.466 14.703 5.494) 29.914 8.012 ( 6.720 3.880 -1.651) 7.934 8.689 ( -6.771 -3.909 -2.923) 8.347 9.007 ( 5.916 3.416 0.835) 6.882 9.424 ( -6.058 -3.497 2.091) 7.300 9.815 ( 0.259 0.150 -0.894) 0.943 9.938 ( -5.281 -3.049 -5.204) 8.017 10.242 ( 13.344 7.704 -1.363) 15.468 10.811 ( -3.666 -2.117 -7.158) 8.316 11.046 ( -3.219 -1.859 12.651) 13.186 11.509 ( -4.391 -2.535 -11.047) 12.154 11.721 ( 6.067 3.503 -9.796) 12.043 11.948 ( -14.798 -8.543 4.705) 17.723 12.449 ( 2.533 1.463 0.644) 2.995 12.651 ( 1.545 0.892 9.999) 10.157 13.226 ( -5.504 -3.178 -8.287) 10.444 13.687 ( -5.026 -2.901 -4.590) 7.399 13.834 ( 2.701 1.560 -0.594) 3.175 13.979 ( 7.920 4.573 -5.576) 10.711 14.521 ( -1.477 -0.853 -0.156) 1.712 14.919 ( 3.885 2.243 -2.177) 4.986 15.279 ( -1.371 -0.792 -11.039) 11.152 15.709 ( -13.507 -7.798 -9.638) 18.334 16.047 ( 6.578 3.798 -9.897) 12.476 17.413 ( 8.138 4.699 -4.129) 10.264 18.078 ( 1.404 0.811 5.518) 5.752 18.742 ( 3.310 1.911 -10.133) 10.830 19.244 ( -4.715 -2.722 0.015) 5.444 19.355 ( 1.361 0.786 1.704) 2.318 19.990 ( -2.832 -1.635 3.661) 4.909 20.051 ( -0.410 -0.237 6.334) 6.352 20.214 ( -0.396 -0.229 2.144) 2.192 21.194 ( -1.782 -1.029 -7.483) 7.761 21.289 ( -1.136 -0.656 1.909) 2.316 21.814 ( 1.034 0.597 0.304) 1.232 23.923 ( -22.550 -13.019 -6.082) 26.739 28.021 ( 0.754 0.435 2.492) 2.640 29.094 ( 3.026 1.747 1.893) 3.974 29.269 ( 0.466 0.269 4.733) 4.763 29.899 ( -2.380 -1.374 -0.849) 2.876 36.299 ( 7.676 4.432 -9.395) 12.916 36.632 ( 8.028 4.635 -5.270) 10.663 37.468 ( -2.341 -1.351 3.867) 4.718 37.599 ( 5.745 3.317 -7.859) 10.285 38.524 ( 0.291 0.168 12.848) 12.853 40.086 ( 6.020 3.475 -6.768) 9.702 40.470 ( -1.145 -0.661 15.895) 15.950 41.127 ( 5.222 3.015 18.124) 19.101 ======================= Grid point 95 (28/85) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -21.880 -12.632 27.892) 37.634 2.699 ( -3.228 -1.864 10.342) 10.994 3.665 ( 10.712 6.185 7.218) 14.321 3.837 ( 28.940 16.709 13.202) 35.931 5.109 ( -3.894 -2.248 28.234) 28.590 5.412 ( 8.546 4.934 -13.512) 16.732 6.126 ( -28.597 -16.510 -1.257) 33.045 6.192 ( 16.097 9.293 32.702) 37.615 6.835 ( -9.045 -5.222 -0.719) 10.468 7.037 ( 3.786 2.186 -8.676) 9.715 7.383 ( 8.809 5.086 6.273) 11.951 7.776 ( -2.871 -1.658 13.882) 14.273 8.154 ( 10.775 6.221 6.138) 13.874 8.302 ( 17.562 10.139 12.267) 23.700 8.671 ( 0.924 0.533 7.996) 8.067 9.046 ( -1.715 -0.990 -3.880) 4.356 9.305 ( -3.670 -2.119 1.083) 4.374 9.763 ( 0.316 0.183 -8.758) 8.766 9.852 ( -3.038 -1.754 2.562) 4.344 10.472 ( 15.142 8.743 -0.041) 17.485 10.672 ( -5.086 -2.937 -2.086) 6.233 10.976 ( -12.270 -7.084 -4.124) 14.756 11.435 ( 2.876 1.661 -1.197) 3.530 11.761 ( 2.740 1.582 5.234) 6.116 11.779 ( -9.820 -5.670 4.825) 12.323 12.452 ( -0.342 -0.198 -4.644) 4.660 12.610 ( -11.502 -6.641 -6.110) 14.620 13.103 ( 1.870 1.080 0.577) 2.235 13.542 ( -4.670 -2.696 -6.247) 8.253 13.962 ( 8.605 4.968 4.039) 10.725 14.034 ( 7.958 4.595 -3.116) 9.703 14.474 ( -1.177 -0.679 -3.544) 3.796 14.870 ( -4.350 -2.511 -6.796) 8.450 15.087 ( -3.901 -2.252 -5.530) 7.133 15.331 ( -4.694 -2.710 -13.982) 14.995 16.049 ( 6.806 3.930 -5.214) 9.432 17.522 ( 10.871 6.276 -2.261) 12.755 18.177 ( 0.653 0.377 4.299) 4.364 18.665 ( 5.689 3.284 -8.534) 10.769 19.160 ( -5.995 -3.461 0.407) 6.934 19.390 ( 0.147 0.085 1.124) 1.136 19.970 ( -2.322 -1.341 0.190) 2.688 20.127 ( -3.705 -2.139 6.653) 7.910 20.232 ( -2.382 -1.375 2.130) 3.478 21.051 ( -0.627 -0.362 -8.227) 8.258 21.315 ( -1.659 -0.958 4.545) 4.932 21.828 ( 1.303 0.753 -0.913) 1.760 23.482 ( -21.435 -12.375 -4.857) 25.223 28.073 ( 0.569 0.329 2.649) 2.730 29.179 ( 3.395 1.960 1.843) 4.332 29.354 ( 1.237 0.714 4.752) 4.962 29.834 ( -3.765 -2.174 -1.090) 4.482 36.287 ( 9.331 5.387 -9.683) 14.486 36.665 ( 7.422 4.285 -6.438) 10.719 37.442 ( 3.916 2.261 -7.470) 8.732 37.638 ( 0.660 0.381 4.672) 4.733 38.688 ( -1.362 -0.786 9.884) 10.008 40.071 ( 6.252 3.610 -8.308) 11.007 40.660 ( -3.840 -2.217 13.545) 14.252 41.517 ( 4.004 2.312 22.914) 23.376 ======================= Grid point 96 (29/85) ======================= q-point: (-0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -24.268 -14.011 24.086) 36.951 2.672 ( -8.782 -5.070 -0.481) 10.152 3.785 ( 3.785 2.185 -9.409) 10.375 4.364 ( 21.242 12.264 -6.690) 25.424 4.802 ( -16.576 -9.570 -5.926) 20.037 5.601 ( -30.161 -17.414 0.324) 34.829 5.963 ( 14.871 8.586 25.959) 31.124 6.613 ( -2.707 -1.563 -0.658) 3.194 6.683 ( -3.945 -2.277 -0.907) 4.644 7.092 ( 13.073 7.548 2.794) 15.352 7.672 ( 6.758 3.902 13.850) 15.897 7.853 ( -12.587 -7.267 6.236) 15.815 8.335 ( 4.285 2.474 6.129) 7.877 8.697 ( 1.312 0.757 12.103) 12.198 8.794 ( -2.374 -1.371 4.940) 5.649 9.018 ( 9.691 5.595 -0.019) 11.190 9.337 ( -2.592 -1.496 6.206) 6.890 9.597 ( -12.222 -7.056 -3.497) 14.539 9.885 ( 9.162 5.290 -0.331) 10.584 10.534 ( -8.712 -5.030 -2.371) 10.335 10.647 ( 11.569 6.680 -8.291) 15.723 10.796 ( -1.410 -0.814 1.249) 2.053 11.432 ( 1.435 0.829 -2.786) 3.242 11.680 ( -10.121 -5.843 8.989) 14.744 12.068 ( -2.670 -1.541 13.563) 13.909 12.132 ( -4.055 -2.341 -10.497) 11.494 12.485 ( -0.107 -0.062 -2.190) 2.193 13.177 ( 4.852 2.801 -3.028) 6.368 13.326 ( -6.219 -3.591 -7.918) 10.690 14.040 ( 6.270 3.620 -5.924) 9.355 14.155 ( -1.280 -0.739 -0.003) 1.479 14.444 ( 10.579 6.108 -8.238) 14.733 14.614 ( -10.055 -5.805 -3.076) 12.011 15.041 ( 3.178 1.835 1.795) 4.085 15.249 ( 8.438 4.872 -2.344) 10.021 16.104 ( 7.448 4.300 -1.547) 8.739 17.669 ( 9.995 5.771 -0.527) 11.553 18.197 ( -2.802 -1.618 0.271) 3.247 18.692 ( 9.234 5.331 -3.094) 11.103 19.078 ( -5.333 -3.079 0.921) 6.227 19.391 ( -1.205 -0.696 0.122) 1.397 19.923 ( -2.503 -1.445 -1.482) 3.247 20.143 ( -4.389 -2.534 4.181) 6.571 20.175 ( -5.919 -3.417 -1.106) 6.923 20.930 ( -0.136 -0.078 -7.103) 7.105 21.379 ( -0.822 -0.475 6.434) 6.504 21.829 ( 1.306 0.754 -1.589) 2.191 23.108 ( -15.007 -8.664 -6.370) 18.462 28.113 ( -0.598 -0.346 2.440) 2.536 29.238 ( 0.768 0.443 1.367) 1.629 29.444 ( 1.143 0.660 3.420) 3.666 29.762 ( -2.991 -1.727 -0.247) 3.462 36.308 ( 10.646 6.146 -8.078) 14.710 36.678 ( 6.381 3.684 -5.972) 9.485 37.387 ( 8.323 4.805 -12.140) 15.483 37.732 ( -3.430 -1.980 10.186) 10.929 38.786 ( -3.240 -1.871 7.852) 8.698 40.026 ( 4.352 2.513 -8.467) 9.846 40.751 ( -6.555 -3.784 9.057) 11.803 41.946 ( 1.045 0.603 27.918) 27.944 ======================= Grid point 97 (30/85) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -24.706 -14.264 20.463) 35.108 2.431 ( -14.292 -8.252 -6.648) 17.792 3.481 ( -8.837 -5.102 -23.210) 25.354 3.965 ( -18.562 -10.717 -24.978) 32.913 4.755 ( -14.612 -8.437 -0.620) 16.884 5.327 ( -4.856 -2.803 11.189) 12.516 6.454 ( -6.028 -3.480 -4.028) 8.042 6.491 ( 0.519 0.300 19.117) 19.126 6.594 ( 2.245 1.296 -5.882) 6.428 7.346 ( 4.866 2.810 3.223) 6.478 7.481 ( -28.394 -16.393 -4.234) 33.059 8.000 ( 4.600 2.656 13.812) 14.799 8.375 ( -9.080 -5.242 2.425) 10.761 8.748 ( -12.736 -7.353 2.527) 14.921 8.856 ( 8.243 4.759 8.233) 12.584 9.170 ( -1.880 -1.085 0.499) 2.227 9.249 ( -9.217 -5.322 -2.151) 10.858 9.473 ( 0.628 0.362 2.651) 2.748 10.092 ( 10.280 5.935 3.028) 12.250 10.413 ( -1.509 -0.871 -0.939) 1.980 10.651 ( 4.560 2.633 -4.415) 6.871 10.885 ( 7.032 4.060 1.545) 8.265 11.424 ( -2.771 -1.600 -0.035) 3.200 11.575 ( -15.427 -8.907 0.970) 17.840 11.848 ( 1.282 0.740 -2.078) 2.551 12.426 ( 1.433 0.827 2.492) 2.992 12.509 ( 8.376 4.836 10.735) 14.449 13.011 ( 2.121 1.224 -15.591) 15.782 13.272 ( -1.763 -1.018 0.213) 2.047 14.003 ( -2.504 -1.445 -3.174) 4.293 14.072 ( 4.698 2.712 -8.376) 9.979 14.297 ( 1.310 0.756 -12.128) 12.222 14.673 ( 3.013 1.739 5.019) 6.107 15.216 ( 12.183 7.034 0.342) 14.072 15.497 ( 14.100 8.141 10.998) 19.648 16.282 ( 11.264 6.504 7.673) 15.102 17.806 ( 6.392 3.691 0.766) 7.421 18.123 ( -4.336 -2.503 -1.377) 5.192 18.838 ( 10.094 5.828 1.039) 11.702 19.029 ( -2.321 -1.340 1.082) 2.890 19.358 ( -2.029 -1.171 -0.845) 2.490 19.837 ( -3.364 -1.942 -4.036) 5.602 20.024 ( -7.433 -4.292 -3.661) 9.332 20.127 ( -3.631 -2.096 2.083) 4.682 20.813 ( -1.293 -0.746 -7.321) 7.471 21.477 ( -0.014 -0.008 6.687) 6.687 21.827 ( 1.110 0.641 -0.782) 1.502 22.801 ( -9.284 -5.360 -9.263) 14.168 28.125 ( -2.182 -1.260 1.989) 3.210 29.244 ( -1.700 -0.982 0.536) 2.035 29.445 ( -4.629 -2.673 0.116) 5.346 29.773 ( 2.184 1.261 2.421) 3.496 36.377 ( 11.099 6.408 -5.775) 14.057 36.695 ( 6.634 3.830 -4.744) 9.010 37.340 ( 10.295 5.944 -13.180) 17.749 37.835 ( -4.915 -2.837 11.793) 13.088 38.828 ( -5.218 -3.013 6.375) 8.772 39.958 ( 2.039 1.177 -6.772) 7.170 40.733 ( -8.350 -4.821 4.362) 10.582 42.401 ( -0.832 -0.480 31.604) 31.619 ======================= Grid point 98 (31/85) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -20.623 -11.906 -10.195) 25.903 2.227 ( -27.362 -15.797 16.690) 35.732 2.908 ( -20.978 -12.112 -17.143) 29.676 3.269 ( -24.902 -14.377 -18.903) 34.411 4.312 ( -29.679 -17.135 -3.339) 34.433 5.564 ( 8.852 5.111 7.170) 12.486 6.140 ( -39.585 -22.854 -2.842) 45.797 6.450 ( -4.479 -2.586 -9.233) 10.583 6.561 ( -17.690 -10.213 4.463) 20.908 6.990 ( -6.129 -3.539 5.853) 9.184 7.525 ( 4.950 2.858 -0.098) 5.716 8.147 ( 2.618 1.511 -2.503) 3.925 8.304 ( -14.841 -8.569 8.529) 19.142 8.488 ( -13.510 -7.800 -0.376) 15.605 9.016 ( -4.432 -2.559 -4.953) 7.122 9.055 ( -13.843 -7.992 6.531) 17.267 9.259 ( 14.286 8.248 5.349) 17.342 9.488 ( 0.189 0.109 -2.498) 2.507 10.190 ( 1.165 0.673 -2.705) 3.022 10.455 ( 2.386 1.378 3.167) 4.198 10.685 ( 5.409 3.123 -1.127) 6.347 11.049 ( 8.331 4.810 0.820) 9.655 11.176 ( -13.742 -7.934 -1.171) 15.911 11.626 ( 8.004 4.621 3.929) 10.042 11.848 ( 3.828 2.210 -4.556) 6.348 12.416 ( -3.214 -1.856 2.193) 4.310 12.637 ( -6.554 -3.784 -2.834) 8.081 13.104 ( 19.524 11.272 6.559) 23.479 13.171 ( -3.886 -2.243 -6.130) 7.597 13.940 ( -0.236 -0.136 -2.166) 2.183 14.023 ( 4.826 2.786 -8.503) 10.166 14.230 ( 5.707 3.295 -4.367) 7.906 14.793 ( 6.186 3.571 2.330) 7.513 15.369 ( 10.695 6.175 -3.955) 12.967 15.905 ( 13.864 8.004 9.499) 18.615 16.757 ( 19.774 11.416 22.119) 31.789 17.878 ( 0.512 0.296 1.633) 1.737 18.042 ( -4.986 -2.879 0.759) 5.807 19.009 ( 5.905 3.409 2.464) 7.250 19.055 ( 5.593 3.229 0.546) 6.482 19.302 ( -2.256 -1.302 -2.332) 3.496 19.692 ( -4.857 -2.804 -5.990) 8.206 19.851 ( -6.805 -3.929 -3.517) 8.609 20.103 ( -2.327 -1.343 1.217) 2.950 20.649 ( -3.733 -2.155 -9.416) 10.356 21.561 ( 0.730 0.421 2.955) 3.073 21.857 ( 0.401 0.231 3.882) 3.910 22.512 ( -6.717 -3.878 -12.609) 14.804 28.105 ( -3.602 -2.080 1.442) 4.403 29.206 ( -2.954 -1.706 -0.528) 3.452 29.342 ( -6.950 -4.013 -0.274) 8.030 29.860 ( 3.142 1.814 2.220) 4.253 36.459 ( 8.520 4.919 -4.825) 10.958 36.765 ( 9.527 5.500 -2.141) 11.207 37.318 ( 10.937 6.315 -11.410) 17.020 37.931 ( -4.744 -2.739 10.567) 11.902 38.815 ( -6.992 -4.037 4.579) 9.282 39.897 ( 0.164 0.095 -3.128) 3.134 40.634 ( -8.458 -4.883 0.720) 9.793 42.879 ( 0.940 0.542 30.043) 30.062 ======================= Grid point 99 (32/85) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -29.319 -16.928 8.224) 34.840 1.935 ( -31.012 -17.905 4.828) 36.133 2.331 ( -28.676 -16.556 -7.198) 33.885 2.710 ( -26.991 -15.583 2.606) 31.275 3.813 ( -28.976 -16.730 0.474) 33.462 5.093 ( -70.780 -40.865 0.432) 81.731 5.817 ( 12.292 7.097 1.051) 14.233 6.259 ( -0.728 -0.420 -7.828) 7.873 6.511 ( -7.342 -4.239 7.940) 11.615 7.067 ( -1.832 -1.058 6.467) 6.804 7.535 ( -2.084 -1.203 -0.519) 2.462 7.923 ( -17.995 -10.389 -6.622) 21.808 8.211 ( -1.556 -0.898 0.926) 2.021 8.354 ( -12.062 -6.964 0.887) 13.956 8.840 ( -1.798 -1.038 -8.402) 8.655 8.941 ( -10.234 -5.909 7.009) 13.739 9.435 ( 2.634 1.521 -6.236) 6.938 9.602 ( 8.037 4.640 11.226) 14.565 10.087 ( -5.666 -3.271 -3.775) 7.553 10.553 ( 6.091 3.517 0.357) 7.043 10.783 ( 5.684 3.282 2.909) 7.179 10.992 ( -0.374 -0.216 -7.904) 7.916 11.117 ( 0.933 0.539 -4.542) 4.668 11.815 ( 8.948 5.166 2.487) 10.627 11.928 ( 8.834 5.100 1.963) 10.387 12.349 ( -13.248 -7.649 3.087) 15.606 12.498 ( -7.034 -4.061 4.305) 9.192 13.030 ( -0.415 -0.239 -5.752) 5.771 13.519 ( 19.084 11.018 3.682) 22.342 13.901 ( 2.806 1.620 -5.556) 6.432 13.985 ( 3.473 2.005 -4.905) 6.336 14.299 ( 4.135 2.387 1.629) 5.045 14.959 ( 10.755 6.210 1.696) 12.534 15.451 ( 10.348 5.974 -6.267) 13.493 16.189 ( 10.405 6.008 2.410) 12.254 17.409 ( 20.650 11.922 7.378) 24.960 17.903 ( -4.960 -2.864 2.450) 6.230 18.011 ( -0.567 -0.327 7.432) 7.460 19.105 ( 4.481 2.587 1.204) 5.312 19.154 ( -1.007 -0.582 -3.465) 3.655 19.222 ( 4.575 2.642 -1.851) 5.598 19.569 ( -4.996 -2.884 4.401) 7.256 19.730 ( -6.090 -3.516 3.591) 7.896 20.099 ( -0.331 -0.191 1.411) 1.462 20.407 ( -7.191 -4.152 -9.913) 12.931 21.584 ( 1.606 0.927 -2.099) 2.801 21.982 ( 0.692 0.400 12.574) 12.600 22.199 ( -7.635 -4.408 -12.875) 15.604 28.058 ( -4.394 -2.537 0.893) 5.152 29.141 ( -3.353 -1.936 -1.187) 4.050 29.243 ( -5.748 -3.318 0.831) 6.689 29.920 ( 1.757 1.014 0.359) 2.060 36.489 ( 5.312 3.067 -5.186) 8.032 36.922 ( 11.538 6.661 -0.645) 13.338 37.350 ( 10.827 6.251 -6.528) 14.104 37.997 ( -4.419 -2.551 7.195) 8.821 38.743 ( -7.694 -4.442 0.796) 8.920 39.878 ( -0.903 -0.521 1.707) 2.000 40.508 ( -6.672 -3.852 -0.804) 7.746 43.243 ( 5.094 2.941 2.734) 6.487 ======================= Grid point 100 (33/85) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -27.381 -15.808 16.776) 35.792 1.539 ( -33.601 -19.400 19.119) 43.254 2.010 ( -18.001 -10.393 30.389) 36.817 2.403 ( -39.058 -22.550 22.665) 50.475 3.438 ( -22.658 -13.081 3.648) 26.416 4.166 ( -50.977 -29.432 10.640) 59.817 6.048 ( 10.455 6.036 5.397) 13.224 6.178 ( 1.124 0.649 -3.022) 3.290 6.521 ( -9.515 -5.494 10.680) 15.323 7.104 ( 0.032 0.019 1.249) 1.250 7.460 ( -5.204 -3.004 -2.020) 6.339 7.610 ( -10.942 -6.318 -2.483) 12.877 7.952 ( -22.126 -12.775 -2.133) 25.638 8.378 ( 8.335 4.812 -2.514) 9.947 8.737 ( 2.375 1.371 -1.363) 3.062 8.943 ( -6.907 -3.988 9.543) 12.437 9.382 ( 3.217 1.857 -7.828) 8.664 9.793 ( 1.146 0.662 3.974) 4.188 9.978 ( -3.892 -2.247 1.287) 4.675 10.570 ( 4.156 2.399 -12.823) 13.691 10.861 ( 0.682 0.394 -0.384) 0.876 10.976 ( 5.801 3.349 1.220) 6.809 11.132 ( 10.380 5.993 4.048) 12.650 11.946 ( 4.001 2.310 -2.588) 5.296 12.074 ( 5.503 3.177 0.030) 6.355 12.170 ( -13.222 -7.634 6.414) 16.560 12.488 ( -7.936 -4.582 5.588) 10.733 13.075 ( 8.109 4.682 6.528) 11.414 13.762 ( 11.303 6.526 -4.135) 13.691 13.883 ( 5.301 3.061 -4.714) 7.726 13.994 ( 4.330 2.500 -1.122) 5.124 14.381 ( 0.813 0.470 3.613) 3.733 15.142 ( 9.692 5.596 -1.688) 11.318 15.533 ( 11.033 6.370 -4.609) 13.548 16.306 ( 7.757 4.478 -6.372) 10.992 17.229 ( -18.726 -10.811 -45.031) 49.953 17.730 ( -6.908 -3.989 -3.954) 8.903 17.988 ( -8.637 -4.986 -2.860) 10.375 19.148 ( 1.279 0.739 2.204) 2.653 19.210 ( 4.690 2.708 0.465) 5.435 19.268 ( 2.434 1.405 -4.227) 5.076 19.606 ( -3.886 -2.243 7.494) 8.735 20.012 ( 4.351 2.512 9.539) 10.781 20.167 ( -3.158 -1.823 0.696) 3.713 20.372 ( 19.154 11.058 35.187) 41.561 21.555 ( 1.675 0.967 -5.337) 5.677 21.905 ( -8.279 -4.780 -6.127) 11.355 22.430 ( 19.465 11.238 36.595) 42.946 28.001 ( -4.036 -2.330 0.652) 4.705 29.081 ( -2.310 -1.334 -0.327) 2.688 29.182 ( -4.106 -2.370 1.126) 4.873 29.929 ( 0.604 0.349 -1.322) 1.495 36.482 ( 4.140 2.390 -5.357) 7.180 37.055 ( 7.727 4.461 -3.756) 9.681 37.462 ( 9.964 5.753 -2.144) 11.704 38.001 ( -5.940 -3.430 4.234) 8.061 38.541 ( -12.917 -7.458 -10.211) 18.076 39.925 ( -0.781 -0.451 6.176) 6.242 40.416 ( -3.745 -2.162 -0.197) 4.329 42.605 ( -33.597 -19.397 -72.302) 82.053 ======================= Grid point 103 (34/85) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.000 -16.023 21.478) 26.796 2.951 ( -0.000 10.695 23.997) 26.273 3.279 ( -0.000 8.500 16.853) 18.875 3.562 ( -0.000 19.370 7.390) 20.732 5.002 ( -0.000 9.354 30.833) 32.221 5.497 ( 0.000 -4.476 -17.739) 18.295 5.928 ( -0.000 5.653 47.202) 47.539 6.580 ( 0.000 -13.324 -2.906) 13.637 6.871 ( 0.000 -9.106 -6.539) 11.211 7.098 ( -0.000 2.342 2.501) 3.426 7.323 ( -0.000 12.007 3.655) 12.551 7.695 ( -0.000 8.857 6.653) 11.077 7.834 ( -0.000 1.867 9.677) 9.855 8.170 ( -0.000 11.411 20.475) 23.441 8.668 ( 0.000 -6.663 2.422) 7.089 9.065 ( -0.000 9.784 3.526) 10.400 9.411 ( 0.000 -2.078 -7.704) 7.979 9.707 ( 0.000 -8.041 -2.937) 8.560 9.969 ( 0.000 -1.680 -0.860) 1.888 10.197 ( -0.000 5.581 3.247) 6.457 10.737 ( -0.000 1.274 -3.015) 3.273 11.218 ( 0.000 -11.290 -3.232) 11.743 11.406 ( -0.000 2.095 5.847) 6.211 11.554 ( -0.000 9.623 -7.002) 11.901 12.028 ( 0.000 -13.519 4.060) 14.116 12.456 ( -0.000 4.092 -1.829) 4.482 12.773 ( -0.000 1.745 3.013) 3.482 13.106 ( 0.000 -4.175 -7.491) 8.576 13.568 ( 0.000 -11.561 -4.692) 12.477 13.789 ( -0.000 1.799 -2.897) 3.410 13.939 ( -0.000 10.337 -0.904) 10.376 14.485 ( 0.000 -4.870 -2.096) 5.302 14.918 ( -0.000 4.092 -0.214) 4.097 15.115 ( 0.000 0.350 -12.225) 12.230 15.553 ( 0.000 -9.642 -17.775) 20.222 15.858 ( 0.000 -0.203 -6.101) 6.104 17.381 ( -0.000 12.813 -1.882) 12.951 18.165 ( -0.000 2.241 5.311) 5.765 18.592 ( -0.000 4.202 -9.647) 10.523 19.249 ( 0.000 -3.148 -0.631) 3.211 19.376 ( 0.000 -0.589 2.246) 2.322 20.006 ( 0.000 -1.585 0.020) 1.585 20.189 ( -0.000 -1.100 7.864) 7.940 20.249 ( 0.000 -0.632 3.224) 3.285 21.052 ( 0.000 -2.488 -9.362) 9.687 21.336 ( 0.000 -1.966 4.086) 4.534 21.812 ( -0.000 1.902 -1.011) 2.154 23.787 ( 0.000 -18.488 -10.981) 21.503 28.070 ( -0.000 2.417 2.938) 3.804 29.123 ( -0.000 1.830 2.696) 3.258 29.345 ( -0.000 0.510 5.084) 5.110 29.887 ( 0.000 -2.657 -0.942) 2.819 36.114 ( 0.000 -2.221 -7.601) 7.919 36.575 ( -0.000 12.367 -6.761) 14.094 37.355 ( 0.000 -1.898 -10.185) 10.361 37.676 ( -0.000 4.059 9.162) 10.021 38.702 ( -0.000 3.392 8.762) 9.396 39.987 ( -0.000 3.404 -5.433) 6.411 40.721 ( 0.000 -6.171 17.400) 18.461 41.461 ( -0.000 8.295 22.940) 24.394 ======================= Grid point 104 (35/85) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -2.251 -24.166 10.362) 26.390 3.114 ( -23.524 6.247 16.124) 29.195 3.662 ( 7.542 6.568 0.719) 10.027 3.861 ( 16.416 23.530 4.240) 29.002 5.138 ( -8.302 -4.850 -8.519) 12.846 5.639 ( 7.554 16.592 28.778) 34.067 6.295 ( -18.949 -10.497 -2.770) 21.839 6.565 ( 1.613 -2.010 18.852) 19.027 6.661 ( 5.528 -15.421 -7.996) 18.229 7.093 ( -9.931 7.507 1.011) 12.490 7.491 ( 4.656 9.777 8.143) 13.549 7.900 ( 4.722 1.683 10.061) 11.240 8.159 ( 13.269 11.279 8.446) 19.355 8.567 ( 0.523 5.675 21.973) 22.700 8.766 ( 3.791 -4.779 11.852) 13.329 9.083 ( -10.403 6.827 -2.979) 12.795 9.364 ( 4.990 4.416 3.545) 7.548 9.612 ( 0.468 -2.760 -4.955) 5.691 9.912 ( -4.848 -7.399 1.088) 8.912 10.324 ( 11.221 0.365 -0.059) 11.227 10.721 ( -4.260 -1.448 -0.979) 4.604 10.972 ( -8.411 -2.667 -4.806) 10.048 11.391 ( 0.441 7.085 -7.615) 10.410 11.820 ( 8.696 -0.185 15.832) 18.064 11.957 ( -7.321 -9.069 7.289) 13.747 12.398 ( -4.603 -1.450 -6.133) 7.805 12.639 ( -13.311 -1.126 -6.148) 14.705 13.047 ( 6.177 -0.675 -2.826) 6.826 13.433 ( -0.771 -7.830 -5.636) 9.678 13.815 ( 9.813 4.780 -5.249) 12.112 14.050 ( 4.414 7.250 3.967) 9.369 14.377 ( -3.292 -9.348 -5.061) 11.128 14.828 ( -5.519 -2.768 -9.774) 11.561 15.022 ( 5.907 2.312 -1.850) 6.607 15.179 ( -7.768 0.934 -13.893) 15.944 15.840 ( 11.942 -3.521 -5.646) 13.671 17.499 ( 3.547 15.998 0.451) 16.393 18.254 ( -1.448 2.858 3.638) 4.848 18.513 ( 4.452 5.541 -7.318) 10.202 19.196 ( -3.374 -3.271 -0.215) 4.704 19.402 ( 0.130 -1.557 1.565) 2.211 19.979 ( -1.544 -1.963 -0.878) 2.647 20.233 ( -2.530 -3.132 3.504) 5.338 20.297 ( -3.231 -1.400 3.643) 5.066 20.901 ( 1.614 -3.480 -8.250) 9.098 21.393 ( -0.336 -2.166 5.706) 6.112 21.809 ( 0.381 3.235 -1.879) 3.760 23.429 ( -8.895 -17.207 -10.965) 22.259 28.135 ( -0.827 3.478 3.132) 4.753 29.193 ( 2.021 1.734 2.800) 3.864 29.425 ( 0.114 0.196 4.836) 4.842 29.838 ( -2.206 -3.020 -0.882) 3.843 36.040 ( 8.485 -2.246 -7.126) 11.306 36.562 ( 2.440 11.435 -7.728) 14.016 37.206 ( 4.526 0.133 -11.951) 12.780 37.840 ( -2.986 1.057 11.892) 12.307 38.835 ( -1.034 5.867 5.466) 8.085 39.944 ( 2.009 2.877 -5.033) 6.135 40.888 ( -3.713 -11.136 14.831) 18.915 41.905 ( 1.496 9.726 24.979) 26.847 ======================= Grid point 105 (36/85) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -4.177 -24.725 1.761) 25.137 3.052 ( -24.783 -1.357 12.201) 27.657 3.618 ( -3.311 4.616 -12.783) 13.988 4.081 ( 7.086 8.067 -12.969) 16.837 5.019 ( -13.518 3.794 10.821) 17.726 5.882 ( -28.880 -12.432 1.204) 31.465 6.274 ( 8.428 9.060 18.506) 22.261 6.427 ( 6.725 -4.958 -5.383) 9.939 6.745 ( -3.870 7.405 -1.960) 8.582 7.114 ( 2.250 2.637 4.027) 5.314 7.764 ( 10.591 0.327 8.639) 13.671 8.075 ( -7.973 2.914 8.640) 12.113 8.390 ( 4.259 2.295 5.398) 7.249 8.774 ( -3.310 -4.481 -2.183) 5.983 8.953 ( 2.537 -1.125 15.210) 15.461 9.134 ( -5.919 7.841 12.476) 15.880 9.490 ( -5.386 -6.806 8.382) 12.066 9.574 ( 1.039 0.316 -4.008) 4.152 9.826 ( 3.486 -3.980 2.189) 5.725 10.446 ( 8.293 5.214 -4.142) 10.636 10.540 ( -5.382 -0.969 -4.121) 6.847 10.917 ( -7.950 0.522 4.904) 9.355 11.355 ( 4.303 1.019 -3.539) 5.664 11.861 ( -3.386 -0.471 0.867) 3.527 12.046 ( -15.527 -5.363 -6.584) 17.698 12.280 ( 5.169 -5.093 17.670) 19.102 12.495 ( -4.929 2.394 -0.661) 5.520 13.012 ( 0.419 -3.064 -9.676) 10.158 13.284 ( -1.011 -2.557 -3.654) 4.573 13.869 ( 10.296 5.193 -8.313) 14.216 14.088 ( -2.303 -10.224 -9.499) 14.145 14.201 ( 3.200 2.365 -6.008) 7.206 14.709 ( -0.458 1.052 2.539) 2.786 15.006 ( 1.478 6.924 -4.891) 8.606 15.190 ( 11.962 5.326 4.405) 13.815 15.920 ( 17.393 -4.390 -2.210) 18.074 17.673 ( 3.563 15.549 2.043) 16.082 18.240 ( -5.288 1.841 -1.044) 5.696 18.587 ( 9.720 7.470 -1.016) 12.301 19.129 ( -4.410 -2.673 0.433) 5.175 19.400 ( -1.178 -2.041 0.573) 2.426 19.911 ( -2.489 -3.357 -2.693) 4.971 20.192 ( -5.558 -5.774 -0.292) 8.020 20.255 ( -6.302 -0.689 1.864) 6.608 20.795 ( 2.564 -4.201 -6.130) 7.861 21.471 ( 0.388 -2.453 6.049) 6.539 21.815 ( 0.050 5.116 -1.053) 5.223 23.044 ( -9.542 -13.650 -10.724) 19.808 28.185 ( -2.564 3.173 2.891) 5.000 29.261 ( 0.678 0.632 2.264) 2.447 29.490 ( 0.019 -1.043 3.238) 3.402 29.782 ( -2.373 -1.655 0.163) 2.898 36.061 ( 13.353 -0.562 -5.831) 14.581 36.553 ( 4.033 8.799 -7.526) 12.261 37.102 ( 8.039 2.189 -12.324) 14.876 37.975 ( -4.895 -1.469 11.965) 13.011 38.926 ( -3.041 7.524 3.470) 8.826 39.914 ( 1.435 1.613 -3.578) 4.179 40.930 ( -7.126 -13.530 10.205) 18.385 42.370 ( 2.397 8.405 24.286) 25.811 ======================= Grid point 106 (37/85) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -7.403 -24.867 -1.644) 25.997 2.880 ( -23.177 -9.036 6.022) 25.594 3.331 ( -15.106 -0.288 -8.829) 17.500 3.815 ( -16.250 0.120 -14.107) 21.519 4.993 ( -23.048 -2.042 5.193) 23.714 5.555 ( -14.755 -4.391 2.944) 15.673 6.300 ( 5.163 -2.983 -3.758) 7.048 6.619 ( -7.386 11.596 -1.962) 13.888 6.857 ( -0.670 5.378 19.474) 20.214 7.251 ( 13.531 2.723 -1.608) 13.896 7.762 ( -30.975 -16.033 3.318) 35.036 8.106 ( -0.206 3.993 5.225) 6.579 8.443 ( -2.744 -2.717 0.131) 3.864 8.791 ( 5.538 -1.038 -0.328) 5.644 8.944 ( -8.847 -9.841 6.172) 14.602 9.156 ( -6.867 -10.488 -3.528) 13.023 9.412 ( -7.793 -0.694 4.786) 9.171 9.567 ( -7.338 0.774 5.533) 9.222 10.003 ( 12.221 0.307 2.751) 12.531 10.446 ( -2.779 9.625 -0.048) 10.018 10.578 ( 4.299 6.424 -1.229) 7.826 10.917 ( 0.159 -3.179 5.405) 6.273 11.404 ( 5.800 -0.307 -0.302) 5.816 11.644 ( -14.837 -1.643 -10.543) 18.276 11.877 ( -8.306 0.602 1.043) 8.393 12.379 ( 2.902 -7.770 0.176) 8.296 12.643 ( 5.321 -2.008 11.600) 12.920 12.855 ( -0.506 6.558 -3.330) 7.373 13.239 ( 0.857 -3.121 -3.388) 4.686 13.856 ( 9.196 -6.755 -9.785) 15.031 13.921 ( 4.095 3.036 -6.832) 8.524 14.111 ( 1.100 4.338 -8.115) 9.267 14.766 ( -3.657 2.769 3.777) 5.941 15.099 ( 10.686 7.812 -3.055) 13.585 15.539 ( 17.458 7.184 10.413) 21.559 16.174 ( 27.167 -3.959 6.312) 28.170 17.837 ( 1.617 11.685 2.363) 12.030 18.177 ( -5.998 2.969 0.616) 6.721 18.764 ( 10.884 7.220 0.525) 13.072 19.077 ( -3.644 -0.461 0.818) 3.763 19.365 ( -2.500 -1.769 -0.562) 3.114 19.792 ( -3.286 -5.529 -4.040) 7.595 20.040 ( -8.020 -5.938 -1.826) 10.145 20.213 ( -5.986 0.680 1.732) 6.269 20.689 ( 0.283 -5.606 -6.146) 8.323 21.532 ( 1.494 -2.506 2.216) 3.664 21.865 ( -0.860 6.782 3.315) 7.597 22.694 ( -7.870 -10.382 -10.883) 16.975 28.201 ( -4.329 1.804 2.336) 5.240 29.276 ( -2.410 -0.991 1.216) 2.876 29.483 ( -3.750 -3.447 0.638) 5.133 29.792 ( 1.538 1.152 1.868) 2.680 36.166 ( 15.502 2.176 -4.005) 16.158 36.552 ( 6.140 5.003 -6.536) 10.269 37.057 ( 10.179 5.418 -10.887) 15.859 38.067 ( -5.296 -3.457 10.166) 11.972 38.967 ( -5.649 7.916 1.528) 9.844 39.895 ( -0.088 -0.275 -0.247) 0.380 40.854 ( -9.208 -13.597 5.286) 17.252 42.800 ( 4.605 6.500 19.111) 20.705 ======================= Grid point 107 (38/85) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -11.806 -27.054 6.414) 30.206 2.558 ( -23.813 -12.478 0.415) 26.887 3.006 ( -25.094 -6.831 -3.679) 26.266 3.416 ( -28.435 4.695 1.048) 28.839 4.613 ( -37.335 -12.594 3.832) 39.588 5.559 ( 6.868 3.438 0.643) 7.707 6.266 ( -2.446 5.976 -5.789) 8.672 6.588 ( -15.312 0.420 8.189) 17.369 6.941 ( -49.350 -16.650 6.036) 52.432 7.181 ( -15.126 -7.533 6.207) 18.002 7.407 ( 13.321 2.457 -3.114) 13.899 8.094 ( -4.267 -1.582 -4.248) 6.226 8.438 ( -4.212 -7.530 2.496) 8.982 8.568 ( -10.412 -14.593 0.294) 17.929 8.867 ( -0.807 -5.117 -8.625) 10.061 9.213 ( 6.919 8.020 2.643) 10.917 9.397 ( -1.229 0.114 1.152) 1.689 9.509 ( -14.770 3.032 7.395) 16.794 10.117 ( 4.402 -2.551 -0.532) 5.116 10.480 ( -0.651 4.834 -0.623) 4.918 10.653 ( 3.869 6.323 0.089) 7.414 10.985 ( 1.187 -7.033 -0.060) 7.133 11.217 ( -10.633 -2.670 -7.847) 13.482 11.623 ( 10.591 5.963 2.833) 12.480 11.771 ( -2.613 6.240 -4.187) 7.956 12.425 ( 4.524 -11.572 5.337) 13.523 12.731 ( -5.515 1.402 5.440) 7.873 12.979 ( 6.418 -4.364 -1.557) 7.916 13.201 ( 2.355 9.388 2.291) 9.947 13.772 ( 10.344 -3.717 -11.030) 15.571 13.913 ( 1.749 1.310 -1.541) 2.674 14.133 ( 7.971 6.963 -1.589) 10.703 14.800 ( 0.604 2.650 1.560) 3.134 15.199 ( 10.267 7.051 -6.763) 14.173 15.907 ( 13.458 3.916 6.603) 15.494 16.692 ( 37.346 -1.785 9.601) 38.602 17.925 ( -0.674 2.267 2.501) 3.442 18.166 ( -7.551 5.924 3.298) 10.148 18.939 ( 10.797 4.217 -0.230) 11.593 19.077 ( -0.788 4.614 1.474) 4.907 19.288 ( -3.932 -0.905 -3.894) 5.607 19.675 ( -3.504 -6.827 2.116) 7.960 19.898 ( -7.494 -5.122 0.965) 9.128 20.180 ( -5.517 3.773 1.471) 6.844 20.528 ( -3.174 -6.969 -7.103) 10.445 21.538 ( 2.140 -0.724 -2.472) 3.348 21.989 ( -1.066 6.739 8.340) 10.776 22.378 ( -7.171 -8.429 -10.401) 15.187 28.179 ( -5.570 -0.038 1.693) 5.822 29.234 ( -4.222 -1.769 0.063) 4.578 29.400 ( -6.503 -3.619 0.564) 7.463 29.857 ( 3.203 1.359 0.787) 3.568 36.310 ( 11.813 6.575 -3.809) 14.045 36.587 ( 12.185 -0.293 -4.180) 12.885 37.093 ( 10.786 9.408 -7.254) 16.045 38.114 ( -4.721 -5.098 7.713) 10.382 38.937 ( -8.188 6.268 -1.457) 10.414 39.906 ( -1.448 -2.253 4.089) 4.888 40.707 ( -9.368 -11.174 1.822) 14.694 43.099 ( 6.630 4.155 3.375) 8.521 ======================= Grid point 108 (39/85) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -13.123 -27.227 18.155) 35.258 2.201 ( -26.786 -13.574 1.204) 30.053 2.604 ( -30.644 -1.955 12.150) 33.023 3.274 ( -29.030 4.382 16.887) 33.869 4.143 ( -37.700 -14.295 6.559) 40.849 5.683 ( -11.944 -3.929 0.419) 12.581 5.910 ( -51.573 -16.510 10.107) 55.087 6.211 ( -6.945 6.090 -4.695) 10.362 6.713 ( -6.824 -1.054 9.628) 11.848 7.175 ( -5.271 -8.656 3.541) 10.736 7.480 ( 6.092 -0.762 -3.518) 7.076 7.890 ( -8.620 -5.144 -7.487) 12.522 8.258 ( -6.751 -6.538 0.943) 9.445 8.500 ( -10.433 -2.358 1.508) 10.802 8.699 ( -0.782 2.747 -11.298) 11.653 9.199 ( -13.826 0.990 6.368) 15.254 9.335 ( -0.972 -0.157 -3.767) 3.894 9.687 ( 7.132 -2.394 9.308) 11.969 10.074 ( -3.183 2.272 -3.517) 5.259 10.472 ( 1.840 1.738 -4.380) 5.058 10.768 ( 6.351 2.130 1.205) 6.806 10.867 ( 0.770 -4.231 -2.178) 4.821 11.064 ( -1.926 7.220 -7.950) 10.910 11.757 ( 9.523 0.775 -3.026) 10.022 11.913 ( 7.191 11.585 4.828) 14.464 12.427 ( -2.582 -19.387 7.460) 20.933 12.718 ( -13.652 -1.887 6.693) 15.321 12.938 ( 5.069 -0.136 -1.366) 5.252 13.433 ( 12.872 10.041 0.036) 16.325 13.729 ( 9.439 2.858 -8.718) 13.163 13.938 ( 0.681 4.239 0.374) 4.309 14.284 ( 7.197 1.920 3.400) 8.188 14.882 ( 8.136 2.213 0.408) 8.441 15.260 ( 11.264 8.555 -7.985) 16.242 16.097 ( 9.277 0.622 -1.272) 9.384 17.103 ( 25.212 -5.111 -9.681) 27.486 17.922 ( -5.099 -4.398 -0.110) 6.734 18.130 ( -7.216 -0.009 0.997) 7.284 19.056 ( 8.631 1.247 -2.331) 9.026 19.152 ( 0.092 3.005 1.374) 3.305 19.186 ( 0.008 3.448 -1.582) 3.794 19.714 ( -3.364 -3.954 8.512) 9.970 19.881 ( 0.479 -6.171 11.781) 13.308 20.223 ( -2.582 11.069 7.393) 13.559 20.320 ( -5.001 -6.484 -5.866) 10.073 21.506 ( 2.322 1.256 -5.351) 5.966 22.087 ( -6.619 -5.687 -6.762) 11.040 22.218 ( 2.371 5.904 13.636) 15.047 28.124 ( -6.048 -1.665 1.173) 6.382 29.168 ( -4.559 -0.911 -0.221) 4.654 29.312 ( -6.593 -2.941 1.298) 7.335 29.894 ( 2.440 0.461 -1.270) 2.789 36.388 ( 4.404 9.533 -5.442) 11.828 36.724 ( 18.232 -2.245 -1.562) 18.436 37.218 ( 10.436 11.840 -2.912) 16.049 38.124 ( -4.313 -6.932 6.353) 10.345 38.802 ( -10.483 1.874 -5.879) 12.164 39.954 ( -1.781 -3.365 7.183) 8.130 40.562 ( -7.830 -6.311 1.283) 10.139 42.969 ( -3.753 -2.111 -29.362) 29.677 ======================= Grid point 109 (40/85) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -21.650 -8.934 2.898) 23.599 1.941 ( -14.042 -21.868 23.580) 35.091 2.832 ( -16.540 -1.751 47.774) 50.587 3.219 ( -34.657 6.912 20.936) 41.075 3.743 ( -32.731 -14.531 9.679) 37.097 4.987 ( -65.687 -11.098 18.145) 69.045 6.041 ( 10.021 1.241 6.647) 12.089 6.145 ( 1.511 3.842 -3.053) 5.134 6.770 ( -9.351 -7.551 11.674) 16.755 7.066 ( 1.189 -8.551 -0.798) 8.670 7.440 ( -1.197 -0.176 -5.116) 5.257 7.678 ( -9.447 0.781 -4.382) 10.443 8.139 ( -14.602 2.336 -3.382) 15.169 8.316 ( -14.008 0.721 -2.290) 14.213 8.588 ( 9.029 0.269 -7.906) 12.005 9.181 ( -8.978 -5.862 8.244) 13.525 9.305 ( 0.301 1.621 -0.510) 1.725 9.775 ( 2.584 -5.319 0.333) 5.923 10.039 ( -1.728 5.847 -1.253) 6.224 10.420 ( -1.306 1.533 -3.661) 4.178 10.812 ( 8.139 -1.910 -1.593) 8.510 10.897 ( 0.470 1.812 -2.830) 3.393 11.131 ( 12.247 13.480 2.721) 18.415 11.811 ( 8.415 -4.553 -3.357) 10.140 12.023 ( 0.697 2.691 -5.041) 5.757 12.406 ( -5.656 -10.918 12.788) 17.740 12.618 ( -11.579 -5.572 4.373) 13.574 13.083 ( 10.326 6.433 2.654) 12.452 13.574 ( 13.100 1.607 -5.920) 14.465 13.783 ( 6.591 8.525 -3.215) 11.245 13.999 ( 0.158 7.599 1.780) 7.806 14.398 ( 3.649 -1.203 2.895) 4.811 15.003 ( 10.275 -0.067 -1.746) 10.423 15.362 ( 13.887 10.044 -6.853) 18.458 16.106 ( 5.497 -0.818 -9.445) 10.959 16.775 ( -12.223 -16.199 -28.909) 35.321 17.769 ( -9.638 -1.254 -2.062) 9.936 18.058 ( -6.637 -5.164 3.114) 8.967 19.099 ( 4.675 0.105 -6.310) 7.854 19.139 ( 2.135 -1.907 -0.490) 2.904 19.262 ( 1.605 4.746 1.882) 5.351 19.750 ( -3.603 -2.707 7.740) 8.957 20.014 ( 2.254 -4.133 2.863) 5.510 20.169 ( -1.891 -3.481 -0.951) 4.074 20.681 ( 16.815 11.220 21.583) 29.571 21.444 ( 1.812 1.955 -7.613) 8.066 21.900 ( -5.639 -4.293 -2.045) 7.377 22.701 ( 23.960 9.282 24.154) 35.265 28.057 ( -5.390 -2.300 1.164) 5.974 29.120 ( -3.765 1.261 0.543) 4.008 29.246 ( -5.386 -2.407 1.932) 6.208 29.890 ( 1.739 -0.106 -2.101) 2.729 36.407 ( 1.816 11.586 -5.934) 13.143 36.891 ( 13.476 -0.989 -1.428) 13.587 37.366 ( 7.430 9.823 -3.855) 12.906 38.118 ( -5.659 -8.637 6.978) 12.463 38.515 ( -15.064 -4.604 -10.107) 18.715 40.038 ( -0.429 -2.042 8.106) 8.370 40.485 ( -6.610 -0.902 2.473) 7.115 42.041 ( -36.355 -11.132 -46.115) 59.768 ======================= Grid point 113 (41/85) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.000 -26.834 2.814) 26.981 3.397 ( 0.000 -3.431 -2.972) 4.539 3.711 ( -0.000 12.011 -1.475) 12.101 3.874 ( -0.000 14.216 0.580) 14.228 5.239 ( -0.000 5.203 12.032) 13.109 6.129 ( -0.000 18.586 22.724) 29.357 6.249 ( 0.000 -2.386 -12.488) 12.714 6.368 ( 0.000 -15.692 -3.621) 16.104 6.752 ( 0.000 -3.966 7.076) 8.112 7.197 ( -0.000 1.666 -1.396) 2.173 7.583 ( -0.000 3.448 5.417) 6.421 8.139 ( -0.000 14.440 11.191) 18.269 8.258 ( -0.000 5.510 7.349) 9.185 8.796 ( 0.000 -3.131 8.635) 9.185 8.957 ( 0.000 -6.638 14.486) 15.935 9.305 ( -0.000 2.782 0.682) 2.865 9.325 ( -0.000 16.136 9.422) 18.686 9.599 ( 0.000 -7.878 6.574) 10.261 9.924 ( 0.000 -3.649 0.244) 3.657 10.251 ( 0.000 -3.106 2.117) 3.758 10.656 ( 0.000 -3.958 -6.210) 7.364 11.036 ( -0.000 2.627 4.319) 5.055 11.317 ( -0.000 7.962 -7.568) 10.985 11.909 ( 0.000 -7.820 2.235) 8.133 12.139 ( 0.000 -6.178 20.115) 21.042 12.315 ( 0.000 -5.946 -6.543) 8.841 12.649 ( -0.000 5.148 -7.157) 8.816 12.938 ( 0.000 -2.245 -0.181) 2.252 13.312 ( 0.000 -5.936 -5.613) 8.169 13.697 ( -0.000 9.461 -8.949) 13.023 14.116 ( -0.000 7.075 -0.363) 7.085 14.308 ( 0.000 -12.920 0.973) 12.956 14.522 ( 0.000 -10.028 -20.241) 22.589 14.998 ( -0.000 8.073 -1.345) 8.184 15.127 ( 0.000 -0.852 -0.410) 0.945 15.649 ( 0.000 -3.328 -4.823) 5.860 17.635 ( -0.000 19.660 2.767) 19.854 18.346 ( -0.000 5.172 0.554) 5.201 18.426 ( -0.000 7.052 -3.006) 7.666 19.188 ( 0.000 -2.810 -0.400) 2.838 19.412 ( 0.000 -2.365 1.461) 2.780 19.942 ( 0.000 -4.714 -2.434) 5.305 20.262 ( 0.000 -5.348 2.132) 5.758 20.352 ( 0.000 -1.054 0.826) 1.339 20.744 ( 0.000 -4.808 -6.103) 7.769 21.465 ( 0.000 -3.326 5.544) 6.465 21.816 ( -0.000 6.658 -0.907) 6.720 23.172 ( 0.000 -17.063 -12.733) 21.290 28.222 ( -0.000 5.447 3.122) 6.278 29.240 ( -0.000 1.333 3.354) 3.609 29.489 ( 0.000 -1.437 3.795) 4.058 29.820 ( 0.000 -2.614 -0.355) 2.638 35.879 ( 0.000 -2.346 -4.974) 5.500 36.507 ( -0.000 11.973 -8.263) 14.548 37.001 ( 0.000 0.522 -11.411) 11.423 38.035 ( -0.000 -2.103 11.308) 11.502 38.964 ( -0.000 12.070 2.443) 12.315 39.896 ( -0.000 1.569 -1.969) 2.517 41.023 ( 0.000 -18.325 12.744) 22.320 42.334 ( -0.000 12.236 21.504) 24.741 ======================= Grid point 114 (42/85) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -2.073 -28.495 0.524) 28.575 3.232 ( -6.462 -6.817 -5.473) 10.871 3.614 ( -7.712 8.036 -7.539) 13.449 4.018 ( -2.655 6.811 2.452) 7.710 5.394 ( -12.628 4.929 8.652) 16.082 6.020 ( -7.757 -8.830 -5.211) 12.857 6.196 ( -2.579 -4.353 0.985) 5.155 6.664 ( 7.267 22.684 14.217) 27.740 6.786 ( -2.296 5.716 0.474) 6.178 7.143 ( -2.048 -1.212 -0.990) 2.578 7.744 ( 8.885 0.589 5.738) 10.593 8.297 ( -2.210 10.829 2.540) 11.340 8.427 ( 2.836 -0.415 6.043) 6.688 8.779 ( -6.320 -10.756 2.295) 12.685 9.056 ( 0.447 -3.922 1.572) 4.249 9.328 ( 7.143 -10.420 1.299) 12.700 9.543 ( -3.939 8.311 2.822) 9.620 9.705 ( -14.492 -5.486 14.061) 20.924 9.888 ( -1.570 -1.770 8.823) 9.134 10.356 ( 9.874 7.623 1.028) 12.516 10.577 ( -2.275 0.481 1.185) 2.610 11.059 ( -6.088 1.846 -1.164) 6.467 11.265 ( 1.358 -4.946 -0.517) 5.155 11.821 ( -3.106 2.910 -7.279) 8.432 12.138 ( -7.071 -4.608 -1.170) 8.520 12.406 ( 2.540 -11.043 12.711) 17.029 12.583 ( -2.618 4.612 0.480) 5.325 12.949 ( -4.989 -1.558 1.644) 5.479 13.173 ( 0.840 -4.229 -5.363) 6.881 13.654 ( 5.092 7.592 -11.140) 14.411 13.880 ( -5.584 -3.529 -17.182) 18.408 14.155 ( -2.775 1.121 -5.437) 6.206 14.586 ( 23.832 -2.985 3.135) 24.222 15.036 ( -4.243 4.705 1.297) 6.467 15.176 ( 6.247 -2.059 6.707) 9.394 15.663 ( 13.081 -2.811 -1.110) 13.426 17.817 ( 0.282 17.286 3.213) 17.584 18.314 ( -4.954 6.290 -1.257) 8.105 18.546 ( 6.719 9.429 1.236) 11.644 19.155 ( -2.100 -1.844 0.116) 2.797 19.407 ( -0.938 -1.880 0.308) 2.124 19.842 ( -0.970 -9.100 -3.244) 9.709 20.197 ( -4.247 -7.334 -1.518) 8.609 20.334 ( -3.181 0.530 0.884) 3.344 20.654 ( 1.796 -4.671 -3.961) 6.382 21.503 ( 0.748 -3.662 1.749) 4.126 21.885 ( -0.576 9.562 3.181) 10.094 22.844 ( -3.778 -14.450 -12.340) 19.374 28.290 ( -2.447 5.323 2.567) 6.396 29.301 ( 0.098 0.320 3.183) 3.201 29.513 ( 0.024 -3.789 1.596) 4.112 29.802 ( -1.212 -0.668 0.753) 1.576 35.854 ( 8.023 -0.880 -3.283) 8.713 36.471 ( 1.331 10.770 -7.845) 13.391 36.874 ( 4.433 2.507 -9.738) 10.990 38.153 ( -1.829 -4.639 8.744) 10.065 39.066 ( -2.301 15.602 -0.168) 15.772 39.900 ( -0.167 -0.691 2.070) 2.188 41.024 ( -4.162 -21.153 8.657) 23.232 42.706 ( 2.514 10.339 14.529) 18.008 ======================= Grid point 115 (43/85) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -4.146 -28.552 4.384) 29.183 3.012 ( -13.047 -7.656 -1.256) 15.179 3.465 ( -12.981 2.557 -1.181) 13.283 3.952 ( -15.859 5.186 0.146) 16.686 5.321 ( -14.376 0.587 3.682) 14.852 5.694 ( -22.280 -10.768 -0.862) 24.760 6.269 ( 1.609 9.955 -1.263) 10.163 6.812 ( -7.478 8.930 5.351) 12.818 6.993 ( 15.090 7.912 -4.434) 17.605 7.197 ( -1.524 2.186 11.202) 11.514 7.899 ( 2.311 -2.604 1.527) 3.802 8.316 ( -10.831 -0.472 3.721) 11.462 8.465 ( -3.555 -1.356 0.860) 3.901 8.703 ( 1.659 -9.003 0.888) 9.198 8.935 ( -5.101 -10.428 -5.395) 12.801 9.186 ( -12.503 -7.697 -4.794) 15.446 9.454 ( -8.835 -9.000 3.445) 13.074 9.756 ( 0.304 4.638 5.038) 6.855 10.016 ( -1.361 -4.050 8.319) 9.352 10.567 ( 2.910 12.119 2.330) 12.679 10.600 ( -2.702 2.473 1.775) 4.070 10.961 ( -2.650 -6.407 2.777) 7.469 11.257 ( 7.724 0.542 -7.120) 10.519 11.702 ( -9.685 8.497 -3.789) 13.430 12.024 ( -15.110 -0.116 -2.086) 15.254 12.299 ( -2.491 -9.976 -0.067) 10.282 12.702 ( 2.015 0.341 3.038) 3.661 12.914 ( 2.851 -4.964 5.451) 7.905 13.180 ( 1.672 2.498 2.558) 3.947 13.481 ( 8.406 -9.636 -13.981) 18.947 13.817 ( 8.021 8.413 -2.681) 11.929 14.053 ( -1.688 7.453 -6.923) 10.311 14.830 ( 8.210 2.850 -0.233) 8.694 15.025 ( -1.864 5.169 -0.868) 5.563 15.487 ( 22.880 -4.977 12.657) 26.617 15.872 ( 23.656 -6.332 3.732) 24.772 17.949 ( -0.954 9.442 2.120) 9.724 18.320 ( -5.238 9.099 2.635) 10.824 18.707 ( 7.959 8.622 -0.314) 11.739 19.128 ( -2.534 0.685 0.958) 2.794 19.362 ( -2.205 -0.692 -3.186) 3.936 19.729 ( -1.124 -11.667 1.262) 11.788 20.061 ( -5.719 -5.756 -1.365) 8.228 20.312 ( -4.639 2.414 1.112) 5.346 20.569 ( -0.596 -5.303 -4.262) 6.829 21.491 ( 1.617 -1.774 -2.380) 3.380 22.020 ( -1.216 10.408 6.449) 12.304 22.524 ( -4.783 -11.500 -10.857) 16.523 28.309 ( -4.898 3.292 1.762) 6.159 29.322 ( -2.776 -1.691 1.829) 3.730 29.496 ( -0.835 -4.072 0.633) 4.205 29.808 ( 0.143 0.607 0.731) 0.961 35.951 ( 14.195 1.126 -1.718) 14.343 36.444 ( 1.921 8.234 -6.796) 10.848 36.855 ( 8.414 6.865 -6.683) 12.751 38.201 ( -2.507 -6.246 6.144) 9.113 39.103 ( -5.204 15.407 -3.567) 16.649 39.943 ( -1.437 -3.782 6.660) 7.792 40.913 ( -7.052 -19.763 4.593) 21.480 42.953 ( 5.038 6.294 3.279) 8.703 ======================= Grid point 116 (44/85) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -4.857 -25.605 12.048) 28.712 2.779 ( -20.098 -5.812 0.396) 20.926 3.288 ( -24.538 0.009 8.863) 26.090 3.818 ( -17.641 4.408 6.539) 19.324 5.098 ( -37.198 -8.875 8.786) 39.238 5.518 ( 2.216 0.866 1.264) 2.694 6.249 ( -2.631 9.114 -7.847) 12.311 6.866 ( -7.114 4.195 6.777) 10.684 7.147 ( 17.502 4.287 -5.307) 18.784 7.296 ( -5.703 -8.037 5.277) 11.179 7.606 ( -45.174 -12.304 -0.225) 46.820 8.119 ( -14.861 -8.718 -1.728) 17.316 8.421 ( -0.900 -6.054 -3.359) 6.982 8.611 ( -8.768 -2.213 3.809) 9.812 8.718 ( -1.466 -4.960 -6.407) 8.234 9.155 ( 10.180 6.403 -2.238) 12.233 9.392 ( -0.609 -5.139 3.929) 6.497 9.790 ( -7.335 0.199 0.450) 7.351 10.080 ( 1.400 -6.983 6.172) 9.424 10.547 ( -7.132 4.137 -3.137) 8.822 10.663 ( 2.519 7.069 0.800) 7.547 10.907 ( -2.088 -7.236 -4.773) 8.917 11.214 ( -5.145 6.231 -6.303) 10.248 11.581 ( -4.796 -0.210 0.425) 4.819 11.870 ( -4.492 10.301 0.149) 11.238 12.342 ( 7.666 -11.266 4.559) 14.370 12.743 ( 7.530 1.097 -4.230) 8.706 12.980 ( -3.470 -7.938 6.934) 11.096 13.286 ( 0.626 3.265 1.021) 3.478 13.404 ( 16.338 0.209 -6.274) 17.502 13.938 ( 0.430 3.517 3.185) 4.765 14.075 ( 8.247 9.673 -0.729) 12.733 14.854 ( -2.654 1.076 0.095) 2.865 15.034 ( 5.725 7.658 -7.066) 11.889 15.853 ( 12.946 -2.830 6.641) 14.822 16.258 ( 39.060 -12.065 3.886) 41.065 18.001 ( -2.666 1.892 2.941) 4.397 18.331 ( -7.724 4.654 0.325) 9.023 18.831 ( 8.747 4.335 -2.320) 10.034 19.152 ( -0.668 4.617 2.388) 5.240 19.248 ( -2.906 -1.077 -5.801) 6.578 19.740 ( 0.129 -7.334 9.493) 11.997 19.967 ( -4.929 -4.083 2.409) 6.838 20.308 ( -4.099 6.999 2.090) 8.376 20.432 ( -4.036 -6.003 -4.707) 8.630 21.451 ( 2.147 0.805 -5.268) 5.746 22.176 ( -1.421 7.603 3.693) 8.572 22.261 ( -4.355 -6.108 -3.927) 8.467 28.275 ( -6.330 0.263 1.073) 6.426 29.278 ( -4.362 -2.242 0.414) 4.921 29.456 ( -4.223 -3.080 1.279) 5.381 29.827 ( 2.367 0.218 -0.992) 2.576 36.142 ( 17.156 4.475 -0.761) 17.746 36.429 ( 3.361 5.738 -5.137) 8.403 36.961 ( 10.848 11.078 -2.933) 15.780 38.205 ( -2.542 -7.932 5.079) 9.756 39.034 ( -8.368 11.063 -7.066) 15.567 40.008 ( -2.516 -6.764 9.292) 11.765 40.756 ( -7.779 -14.315 2.839) 16.537 42.958 ( 2.820 0.898 -14.057) 14.365 ======================= Grid point 117 (45/85) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -4.899 -20.622 16.125) 26.632 2.389 ( -27.070 -4.181 -6.603) 28.175 3.325 ( -21.794 1.455 32.831) 39.433 3.792 ( -17.690 3.362 12.996) 22.206 4.695 ( -42.811 -9.932 11.420) 45.408 5.667 ( 9.508 -1.534 4.703) 10.718 6.138 ( -3.625 3.943 -6.100) 8.117 6.753 ( -45.802 -8.459 -1.598) 46.605 6.983 ( -17.953 -1.907 10.645) 20.959 7.117 ( -5.653 -20.360 -5.549) 21.846 7.303 ( 7.527 7.979 -3.613) 11.549 7.882 ( -8.682 -1.473 -6.325) 10.843 8.308 ( -3.058 -5.231 -0.658) 6.094 8.518 ( -8.903 1.988 -1.276) 9.211 8.680 ( -2.824 2.300 -0.945) 3.763 9.201 ( 4.457 0.652 -4.071) 6.071 9.481 ( -4.670 -1.364 5.829) 7.593 9.667 ( 0.612 -8.589 -0.472) 8.624 10.123 ( -3.228 0.582 2.285) 3.998 10.439 ( -2.513 2.129 -4.237) 5.367 10.727 ( -2.005 -1.162 -2.711) 3.567 10.823 ( 6.775 6.516 1.517) 9.522 11.080 ( -8.966 6.210 -2.934) 11.294 11.593 ( 6.575 -2.595 -1.877) 7.314 11.971 ( 3.194 10.863 -1.225) 11.389 12.402 ( 4.034 -15.284 7.055) 17.311 12.746 ( 7.598 -6.501 -4.845) 11.111 12.999 ( -4.322 1.793 5.533) 7.246 13.289 ( 9.328 -3.863 -3.608) 10.722 13.595 ( 7.510 13.573 0.621) 15.524 14.020 ( 0.084 10.077 2.909) 10.489 14.267 ( 7.417 0.729 5.337) 9.166 14.833 ( 1.056 -1.686 -0.333) 2.017 15.061 ( 9.845 10.110 -8.999) 16.736 15.972 ( 5.559 -3.341 -1.342) 6.623 16.565 ( 26.852 -15.543 -8.234) 32.100 17.980 ( -6.766 -2.250 0.326) 7.138 18.224 ( -8.322 -2.966 0.905) 8.881 18.907 ( 8.851 1.234 -3.950) 9.770 19.136 ( -1.109 -2.155 -2.825) 3.722 19.234 ( 0.705 5.364 2.143) 5.819 19.842 ( -2.219 -2.265 6.748) 7.456 19.983 ( -0.708 -4.918 7.303) 8.833 20.254 ( -4.944 -5.898 -4.226) 8.780 20.458 ( 3.206 12.573 10.766) 16.861 21.392 ( 2.355 2.668 -7.637) 8.425 22.026 ( -4.668 -5.959 -4.463) 8.787 22.424 ( 3.954 9.808 10.380) 14.818 28.203 ( -6.538 -2.482 0.770) 7.035 29.220 ( -4.233 -0.429 0.315) 4.266 29.395 ( -6.403 -2.378 1.709) 7.041 29.831 ( 3.038 -0.604 -2.480) 3.968 36.347 ( 6.962 14.460 -3.306) 16.386 36.484 ( 14.406 -0.740 -0.670) 14.441 37.150 ( 10.638 12.564 -1.003) 16.493 38.202 ( -2.107 -10.513 7.030) 12.821 38.831 ( -11.925 3.503 -10.457) 16.243 40.069 ( -2.139 -6.631 8.488) 10.982 40.648 ( -6.824 -7.370 4.649) 11.068 42.552 ( -10.307 -5.103 -31.424) 33.462 ======================= Grid point 118 (46/85) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -16.216 -16.485 0.898) 23.141 2.315 ( -6.066 -4.478 18.336) 19.826 3.646 ( -14.990 2.576 22.960) 27.541 3.880 ( -18.909 1.117 32.281) 37.428 4.333 ( -39.842 -5.929 15.454) 43.143 5.730 ( -5.498 -12.062 7.407) 15.185 6.090 ( -1.591 4.420 -6.335) 7.887 6.184 ( -36.928 -0.039 7.088) 37.602 6.792 ( 1.779 -19.846 -5.984) 20.805 7.111 ( 0.053 4.152 7.660) 8.713 7.349 ( 0.012 9.375 -3.522) 10.014 7.678 ( -6.745 -2.114 -6.828) 9.828 8.248 ( -5.096 -2.591 1.199) 5.841 8.444 ( -4.107 6.653 -2.096) 8.095 8.566 ( -15.367 1.849 1.560) 15.556 9.212 ( 3.726 -1.662 -0.744) 4.147 9.374 ( -9.755 -7.765 0.774) 12.492 9.698 ( 6.273 -7.012 0.795) 9.442 10.068 ( -5.666 6.334 -4.701) 9.712 10.429 ( 4.877 -0.777 0.095) 4.940 10.713 ( 1.574 4.223 -0.166) 4.509 10.914 ( -5.605 4.353 -0.584) 7.121 11.125 ( 9.940 8.359 4.496) 13.744 11.631 ( 7.922 -4.791 -1.067) 9.319 11.936 ( -2.154 -2.936 -6.936) 7.833 12.480 ( 3.785 -6.518 5.584) 9.380 12.702 ( 5.507 -8.256 -4.479) 10.888 13.051 ( -1.539 4.413 2.364) 5.237 13.383 ( 10.687 1.438 1.011) 10.831 13.749 ( 5.547 11.340 -0.860) 12.653 14.142 ( -4.508 12.085 3.830) 13.456 14.379 ( 3.689 -1.413 1.975) 4.416 14.866 ( 8.358 -4.211 -0.246) 9.362 15.129 ( 12.980 9.697 -9.812) 18.941 15.912 ( 0.531 -5.314 -8.475) 10.017 16.390 ( -0.316 -14.217 -16.422) 21.723 17.852 ( -9.137 -1.647 -1.263) 9.370 18.159 ( -6.230 -4.911 4.320) 9.033 18.934 ( 6.351 0.394 -5.881) 8.665 19.087 ( 1.055 -3.046 -1.290) 3.472 19.307 ( 1.134 3.766 1.790) 4.321 19.888 ( -3.295 -2.365 6.892) 7.997 20.017 ( -1.270 -3.025 1.255) 3.513 20.150 ( 0.160 -3.293 0.191) 3.303 20.831 ( 11.160 7.732 12.432) 18.409 21.313 ( 2.064 3.208 -8.415) 9.239 21.908 ( -3.487 -3.491 -0.732) 4.988 22.778 ( 17.120 7.267 11.972) 22.118 28.121 ( -5.481 -3.603 1.066) 6.646 29.188 ( -3.315 1.703 0.869) 3.826 29.335 ( -6.198 -1.395 2.329) 6.766 29.821 ( 3.094 -1.040 -2.528) 4.129 36.407 ( -0.106 16.894 -5.720) 17.836 36.708 ( 16.725 0.508 1.688) 16.818 37.300 ( 5.661 9.618 -3.331) 11.647 38.221 ( -5.328 -13.190 7.560) 16.109 38.510 ( -11.611 -1.780 -8.661) 14.594 40.139 ( 0.285 -0.907 6.004) 6.079 40.618 ( -7.199 -3.516 5.266) 9.587 41.798 ( -24.369 -7.528 -26.643) 36.883 ======================= Grid point 123 (47/85) ======================= q-point: ( 0.44 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.000 -28.715 3.784) 28.963 3.163 ( 0.000 -5.447 -1.369) 5.616 3.617 ( -0.000 6.097 -1.479) 6.274 4.144 ( -0.000 5.433 1.413) 5.614 5.492 ( 0.000 -4.003 -2.825) 4.900 6.083 ( -0.000 8.758 3.293) 9.357 6.205 ( 0.000 -9.993 3.560) 10.608 6.718 ( -0.000 12.444 -5.651) 13.667 7.030 ( -0.000 10.046 4.690) 11.087 7.182 ( -0.000 9.867 8.038) 12.726 7.758 ( 0.000 -0.773 2.888) 2.990 8.344 ( -0.000 8.250 -2.381) 8.587 8.510 ( -0.000 0.190 2.853) 2.859 8.737 ( 0.000 -23.430 0.111) 23.430 8.976 ( 0.000 -9.545 -3.008) 10.007 9.207 ( 0.000 -6.815 1.576) 6.994 9.681 ( -0.000 8.700 2.751) 9.124 9.903 ( 0.000 -5.138 1.625) 5.389 10.109 ( 0.000 -5.567 12.263) 13.467 10.405 ( -0.000 13.326 7.892) 15.488 10.625 ( -0.000 -0.964 5.338) 5.424 11.016 ( -0.000 1.899 -8.884) 9.084 11.202 ( 0.000 -15.435 -1.195) 15.481 11.784 ( -0.000 9.679 -5.082) 10.932 12.113 ( 0.000 -1.971 -1.317) 2.371 12.448 ( 0.000 -10.826 2.054) 11.019 12.654 ( 0.000 -3.818 9.757) 10.477 12.946 ( 0.000 -3.184 -4.851) 5.803 13.261 ( -0.000 1.817 12.972) 13.099 13.521 ( -0.000 6.085 -27.051) 27.727 13.559 ( -0.000 14.311 -12.411) 18.943 14.088 ( -0.000 3.201 -6.323) 7.087 14.468 ( 0.000 -13.746 11.667) 18.030 15.133 ( 0.000 -1.712 5.015) 5.299 15.210 ( 0.000 -4.926 5.395) 7.306 15.597 ( -0.000 1.928 3.516) 4.010 17.961 ( -0.000 11.457 2.386) 11.703 18.394 ( -0.000 8.690 1.182) 8.770 18.598 ( -0.000 11.907 0.475) 11.916 19.163 ( 0.000 -0.543 0.621) 0.825 19.389 ( 0.000 -0.657 -3.144) 3.212 19.740 ( 0.000 -14.240 1.289) 14.298 20.137 ( 0.000 -6.637 -2.790) 7.200 20.369 ( -0.000 1.098 0.906) 1.423 20.573 ( 0.000 -2.987 -2.569) 3.940 21.470 ( 0.000 -2.084 -2.308) 3.110 22.036 ( -0.000 11.521 5.931) 12.958 22.585 ( 0.000 -12.775 -11.541) 17.216 28.376 ( -0.000 5.113 1.518) 5.333 29.355 ( 0.000 -0.905 3.689) 3.799 29.488 ( 0.000 -5.260 -0.228) 5.265 29.820 ( -0.000 -0.050 0.643) 0.645 35.768 ( 0.000 0.182 -1.482) 1.493 36.430 ( -0.000 12.221 -6.898) 14.033 36.743 ( -0.000 4.222 -6.507) 7.756 38.231 ( 0.000 -6.272 5.423) 8.292 39.166 ( -0.000 18.631 -4.500) 19.167 39.962 ( 0.000 -4.354 7.809) 8.941 41.003 ( 0.000 -23.721 5.785) 24.416 42.888 ( -0.000 7.613 3.098) 8.219 ======================= Grid point 125 (48/85) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -1.289 -24.037 8.709) 25.598 3.106 ( -6.965 -2.727 1.913) 7.721 3.689 ( -8.454 3.652 12.344) 15.401 4.107 ( -6.309 3.134 -3.003) 7.658 5.434 ( -3.622 0.616 1.973) 4.170 5.961 ( -21.591 -6.196 2.784) 22.634 6.255 ( 3.312 4.183 -3.851) 6.580 6.747 ( 10.166 9.321 -9.911) 16.984 7.063 ( -6.254 1.316 6.616) 9.198 7.402 ( -4.107 7.432 5.677) 10.214 7.823 ( 8.608 1.334 -0.734) 8.742 8.324 ( -1.676 -17.732 -10.792) 20.826 8.375 ( 1.003 -2.827 -1.710) 3.453 8.700 ( 3.559 2.723 1.853) 4.849 8.874 ( -2.239 -8.512 1.114) 8.872 9.230 ( -3.624 -3.571 5.841) 7.746 9.635 ( -17.309 -4.456 -3.319) 18.179 9.833 ( -5.132 -3.141 3.708) 7.067 10.101 ( -3.564 -7.348 2.324) 8.491 10.589 ( 2.333 4.067 1.138) 4.825 10.698 ( -4.571 0.326 0.312) 4.593 10.968 ( 0.330 -11.981 3.761) 12.562 11.049 ( 8.532 5.757 -8.551) 13.382 11.809 ( -1.306 10.546 -1.481) 10.729 12.095 ( -1.647 4.260 -2.593) 5.252 12.308 ( -7.292 -12.989 -1.875) 15.014 12.751 ( -10.478 0.169 1.708) 10.617 12.878 ( 5.093 -6.380 2.445) 8.522 13.123 ( 3.772 -0.861 -10.788) 11.461 13.364 ( -7.983 9.214 1.590) 12.295 13.758 ( 14.251 13.518 3.146) 19.893 14.034 ( -1.163 8.216 -4.429) 9.406 14.645 ( 16.617 -8.285 3.026) 18.812 15.132 ( -6.400 -0.979 1.463) 6.638 15.343 ( 15.936 -12.836 10.383) 22.946 15.748 ( 7.658 -0.783 7.012) 10.413 18.049 ( -1.117 4.829 2.953) 5.769 18.457 ( -2.630 6.230 1.237) 6.874 18.684 ( 3.167 9.714 -2.503) 10.519 19.176 ( -0.867 1.308 1.606) 2.245 19.293 ( -0.827 -1.931 -6.636) 6.960 19.731 ( 0.381 -10.609 8.642) 13.689 20.055 ( -2.031 -2.865 -1.143) 3.693 20.385 ( -1.843 2.696 1.384) 3.547 20.505 ( -1.872 -2.785 -2.916) 4.445 21.413 ( 0.890 0.409 -5.041) 5.135 22.203 ( -0.691 11.714 4.255) 12.482 22.341 ( -1.877 -9.206 -7.185) 11.827 28.398 ( -3.178 2.563 0.327) 4.096 29.365 ( -2.792 -4.478 1.448) 5.473 29.472 ( 1.875 -2.495 1.018) 3.282 29.814 ( -0.699 -0.395 -0.674) 1.048 35.809 ( 8.159 1.282 -0.195) 8.261 36.421 ( -1.062 12.681 -4.928) 13.647 36.745 ( 5.968 8.040 -3.198) 10.511 38.246 ( -0.862 -7.376 3.742) 8.315 39.173 ( -3.026 16.708 -8.371) 18.931 40.058 ( -1.331 -9.058 11.081) 14.374 40.896 ( -3.350 -20.596 3.735) 21.198 42.893 ( 1.822 2.594 -9.056) 9.595 ======================= Grid point 126 (49/85) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -0.764 -17.915 11.338) 21.215 2.963 ( -18.649 0.209 -2.027) 18.760 3.762 ( -14.110 -0.375 12.592) 18.916 4.103 ( -7.556 3.779 14.282) 16.594 5.457 ( -5.357 -3.133 5.102) 8.034 5.688 ( -25.558 -3.764 6.140) 26.553 6.194 ( -1.012 3.704 -7.485) 8.413 6.746 ( 13.292 3.857 -14.840) 20.292 7.120 ( -3.042 -2.092 4.194) 5.588 7.275 ( -6.970 -12.374 -5.522) 15.238 7.872 ( -10.438 0.656 0.428) 10.467 7.997 ( 0.880 -13.626 -12.818) 18.728 8.367 ( 3.906 -0.950 -1.889) 4.442 8.708 ( -7.393 -2.891 2.351) 8.279 8.900 ( -6.218 7.359 3.902) 10.394 9.139 ( -17.520 -2.893 1.005) 17.786 9.399 ( 1.321 -6.754 2.302) 7.257 9.777 ( -4.222 -7.372 -1.990) 8.725 10.099 ( 4.562 -9.449 5.024) 11.633 10.540 ( -5.031 -0.693 -6.356) 8.136 10.687 ( 3.077 6.184 -1.126) 6.999 10.794 ( -0.449 -6.824 -6.074) 9.146 11.227 ( 3.223 6.240 2.649) 7.506 11.764 ( -13.937 5.487 -2.341) 15.160 11.957 ( -6.468 5.395 -5.673) 10.155 12.264 ( 5.715 -5.089 4.450) 8.852 12.609 ( -3.412 -1.547 -3.978) 5.465 12.956 ( 9.167 -3.451 -0.391) 9.803 13.121 ( 3.197 -0.963 -1.194) 3.546 13.476 ( 3.581 10.440 8.099) 13.690 13.969 ( 3.839 10.876 -3.152) 11.957 14.112 ( 3.567 4.741 9.098) 10.861 14.763 ( 10.208 1.145 -4.747) 11.316 15.044 ( -7.570 -0.290 -0.746) 7.613 15.691 ( 27.590 -16.407 9.227) 33.400 15.927 ( 9.537 -4.223 5.230) 11.668 18.088 ( -2.808 -1.353 2.973) 4.308 18.422 ( -6.902 0.259 -1.164) 7.005 18.725 ( 5.538 3.885 -4.132) 7.927 19.168 ( -0.894 -3.743 -3.135) 4.964 19.228 ( -0.075 4.986 0.787) 5.048 19.839 ( 1.294 -3.854 9.125) 9.990 20.028 ( -1.931 -0.914 2.376) 3.196 20.380 ( -4.938 -2.187 -3.140) 6.248 20.449 ( -1.084 5.836 4.257) 7.304 21.343 ( 1.548 2.749 -7.509) 8.145 22.114 ( -2.597 -6.406 -5.980) 9.140 22.399 ( -0.596 12.382 5.929) 13.741 28.349 ( -5.243 -1.227 -0.389) 5.398 29.306 ( -2.842 -3.683 -0.078) 4.652 29.492 ( -0.834 -2.321 1.933) 3.133 29.783 ( 0.160 -0.739 -2.163) 2.292 35.970 ( 15.128 2.811 1.195) 15.433 36.427 ( -2.084 13.163 -3.376) 13.748 36.889 ( 10.358 11.684 -0.339) 15.617 38.237 ( -0.951 -9.358 4.521) 10.436 39.061 ( -6.879 10.477 -11.119) 16.755 40.128 ( -2.422 -12.249 10.367) 16.229 40.789 ( -4.525 -13.755 4.686) 15.220 42.669 ( -1.428 -2.969 -20.982) 21.239 ======================= Grid point 127 (50/85) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -2.994 -16.761 5.781) 17.981 2.624 ( -24.010 -0.077 -2.357) 24.125 3.839 ( -2.521 2.255 9.986) 10.543 4.341 ( -17.718 3.839 29.835) 34.911 5.278 ( -31.179 -11.799 10.559) 34.969 5.564 ( 0.857 -11.273 -1.803) 11.448 6.130 ( -2.203 8.360 -3.414) 9.295 6.588 ( 10.465 -15.593 -19.733) 27.241 6.965 ( -3.662 -6.834 -4.419) 8.924 7.158 ( -6.754 2.676 -3.165) 7.924 7.653 ( -19.134 3.715 -0.326) 19.494 7.750 ( -3.990 -11.046 -3.933) 12.386 8.372 ( -4.171 0.002 0.164) 4.175 8.659 ( -2.902 -2.326 3.064) 4.819 8.779 ( -17.902 2.998 0.072) 18.151 9.082 ( 6.497 0.268 -2.338) 6.910 9.500 ( 6.451 -3.795 3.859) 8.420 9.615 ( -6.284 -10.665 -1.054) 12.424 10.155 ( 1.645 -8.157 2.394) 8.658 10.368 ( -2.327 2.109 -8.225) 8.804 10.670 ( 1.386 1.688 -2.507) 3.325 10.870 ( 8.609 4.507 5.262) 11.050 11.239 ( -10.006 7.608 -0.469) 12.579 11.595 ( -10.276 1.583 0.456) 10.407 11.910 ( 5.618 3.430 -8.322) 10.611 12.354 ( 3.322 -11.911 4.901) 13.302 12.530 ( 2.369 -0.998 -3.696) 4.502 13.064 ( 5.084 4.421 1.764) 6.965 13.157 ( 6.713 1.236 0.867) 6.881 13.688 ( 0.188 11.103 3.045) 11.515 14.084 ( 8.780 13.282 0.675) 15.936 14.319 ( 2.910 -0.774 9.261) 9.738 14.772 ( 2.387 -0.840 -4.310) 4.998 14.960 ( -1.208 3.789 -3.467) 5.276 15.874 ( 5.631 -12.482 1.419) 13.766 16.106 ( 17.771 -8.159 -0.307) 19.557 18.026 ( -5.419 -5.734 -1.037) 7.958 18.321 ( -7.507 -4.064 2.446) 8.879 18.762 ( 6.981 2.577 -3.692) 8.307 19.093 ( -1.207 -2.833 -1.787) 3.560 19.283 ( 0.869 3.970 1.199) 4.237 19.939 ( -0.602 -0.907 4.960) 5.078 20.054 ( -0.610 -1.690 3.555) 3.984 20.226 ( -6.462 -4.532 -3.707) 8.720 20.646 ( 4.372 10.071 10.047) 14.882 21.262 ( 2.017 4.360 -8.803) 10.028 21.982 ( -2.590 -4.735 -2.209) 5.832 22.578 ( 2.429 12.676 5.045) 13.858 28.257 ( -5.558 -4.370 -0.335) 7.078 29.257 ( -2.240 -1.311 -0.023) 2.595 29.472 ( -4.034 -2.333 1.513) 4.899 29.753 ( 1.798 -0.843 -2.412) 3.125 36.235 ( 18.987 5.437 2.750) 19.940 36.448 ( -1.951 14.201 -3.131) 14.673 37.105 ( 10.289 12.308 0.245) 16.044 38.252 ( 0.226 -12.778 8.636) 15.425 38.810 ( -11.369 2.631 -13.170) 17.597 40.158 ( -1.713 -7.931 6.547) 10.426 40.753 ( -4.252 -9.780 7.535) 13.058 42.193 ( -9.832 -7.280 -25.892) 28.636 ======================= Grid point 128 (51/85) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -12.789 -18.415 0.380) 22.424 2.534 ( -1.797 -1.629 6.592) 7.024 3.962 ( -3.722 4.818 4.924) 7.830 4.585 ( -13.909 -1.578 23.976) 27.763 4.962 ( -34.947 -7.661 10.672) 37.335 5.492 ( 13.680 -25.263 -0.820) 28.741 6.003 ( -4.747 2.303 -13.788) 14.763 6.432 ( 10.406 -5.865 -4.415) 12.735 6.718 ( -21.051 -3.733 0.541) 21.386 7.145 ( 3.381 5.893 0.869) 6.849 7.530 ( -3.986 5.460 -3.405) 7.569 7.674 ( -7.338 -4.978 7.726) 11.761 8.300 ( -4.462 -2.502 0.712) 5.165 8.576 ( -8.348 1.696 -1.827) 8.712 8.713 ( -3.433 -1.323 4.421) 5.752 9.140 ( 4.731 2.071 -0.299) 5.174 9.436 ( -9.634 -8.601 -0.854) 12.943 9.554 ( 5.126 -7.205 -1.532) 8.974 10.089 ( -4.182 -1.823 -2.964) 5.440 10.333 ( 5.390 1.371 -0.388) 5.576 10.703 ( 3.645 2.187 -0.225) 4.257 11.077 ( -2.379 11.931 -4.444) 12.952 11.165 ( -1.230 1.076 8.560) 8.714 11.599 ( -0.295 1.088 6.541) 6.638 11.815 ( 1.138 -4.789 -8.329) 9.675 12.325 ( 7.215 -11.146 -4.561) 14.039 12.534 ( 1.783 -1.215 -0.001) 2.158 13.130 ( 0.826 4.023 0.223) 4.113 13.342 ( 8.006 7.830 2.235) 11.419 13.778 ( 3.619 9.498 1.063) 10.220 14.295 ( 4.037 11.110 0.117) 11.821 14.428 ( -5.348 5.578 4.622) 9.005 14.717 ( 5.968 -9.220 -1.556) 11.092 14.959 ( 4.374 5.562 -4.757) 8.526 15.754 ( -4.877 -14.135 -5.296) 15.863 16.151 ( 3.660 -1.063 -4.258) 5.715 17.909 ( -5.658 -4.115 -0.517) 7.015 18.249 ( -5.464 -6.374 2.472) 8.752 18.805 ( 4.674 2.944 -2.874) 6.227 19.046 ( -0.440 -2.941 -0.610) 3.036 19.335 ( 1.310 2.845 0.695) 3.208 19.979 ( -0.621 -1.773 2.786) 3.360 20.048 ( -5.746 -3.683 0.751) 6.866 20.121 ( 1.875 -1.984 -0.135) 2.734 20.914 ( 6.720 6.836 5.577) 11.090 21.203 ( 2.377 4.625 -4.982) 7.201 21.912 ( -2.180 -3.065 -0.181) 3.766 22.789 ( 9.476 8.730 3.545) 13.363 28.162 ( -4.352 -5.285 0.426) 6.859 29.234 ( -1.521 0.067 0.396) 1.573 29.429 ( -4.377 -0.863 1.524) 4.714 29.741 ( 2.434 -1.087 -1.617) 3.117 36.461 ( -2.432 18.543 -5.238) 19.422 36.561 ( 17.603 3.672 3.979) 18.417 37.264 ( 5.069 8.907 -1.261) 10.325 38.286 ( -7.612 -16.413 3.840) 18.495 38.501 ( -4.902 -0.504 -4.102) 6.412 40.195 ( 0.794 0.953 2.121) 2.457 40.733 ( -6.202 -7.754 3.173) 10.424 41.682 ( -12.410 -9.343 -9.509) 18.212 ======================= Grid point 134 (52/85) ======================= q-point: (-0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 0.000 -17.066 9.060) 19.321 3.194 ( -0.000 2.901 3.856) 4.825 3.959 ( 0.000 0.259 -2.940) 2.951 4.156 ( -0.000 0.766 20.137) 20.151 5.543 ( -0.000 3.468 6.117) 7.031 5.973 ( 0.000 -4.690 -10.968) 11.928 6.251 ( 0.000 -3.117 4.128) 5.173 6.578 ( -0.000 10.502 -14.081) 17.566 7.168 ( 0.000 -4.333 5.024) 6.635 7.439 ( 0.000 -11.650 -8.246) 14.273 7.761 ( 0.000 -6.726 0.324) 6.734 8.018 ( 0.000 0.984 -12.932) 12.969 8.357 ( 0.000 -0.420 -0.076) 0.427 8.680 ( -0.000 0.462 -1.620) 1.685 8.917 ( 0.000 -4.094 6.508) 7.688 9.345 ( 0.000 -4.658 8.865) 10.014 9.574 ( 0.000 -8.008 -10.487) 13.195 9.885 ( 0.000 -5.182 0.129) 5.184 10.081 ( 0.000 -11.355 0.895) 11.390 10.595 ( 0.000 -10.241 -1.257) 10.318 10.681 ( -0.000 1.863 -0.781) 2.020 10.785 ( 0.000 -1.140 -14.312) 14.357 11.117 ( -0.000 8.057 11.599) 14.123 11.790 ( -0.000 3.944 -8.327) 9.214 12.108 ( -0.000 1.846 -2.036) 2.749 12.234 ( 0.000 -6.787 1.152) 6.884 12.776 ( -0.000 3.585 -6.767) 7.658 12.872 ( -0.000 2.966 -3.498) 4.586 13.078 ( 0.000 -3.962 10.234) 10.974 13.478 ( -0.000 21.640 -7.698) 22.968 13.862 ( -0.000 16.577 6.517) 17.812 14.085 ( -0.000 4.991 6.176) 7.941 14.503 ( 0.000 -18.887 4.622) 19.444 15.141 ( 0.000 -3.562 -2.017) 4.093 15.327 ( 0.000 -10.569 9.953) 14.518 15.845 ( 0.000 -3.082 11.567) 11.971 18.121 ( 0.000 -1.249 3.325) 3.551 18.506 ( -0.000 2.401 0.171) 2.407 18.663 ( -0.000 5.391 -5.598) 7.772 19.177 ( 0.000 -4.186 -2.670) 4.965 19.229 ( -0.000 3.894 -0.179) 3.898 19.820 ( 0.000 -4.854 9.380) 10.562 20.052 ( -0.000 1.429 0.089) 1.432 20.452 ( -0.000 5.601 0.309) 5.609 20.462 ( 0.000 -3.846 0.657) 3.902 21.324 ( -0.000 2.722 -7.350) 7.838 22.145 ( 0.000 -6.392 -6.506) 9.120 22.412 ( -0.000 13.641 5.025) 14.537 28.419 ( 0.000 -0.109 -1.265) 1.270 29.343 ( 0.000 -7.061 -0.587) 7.085 29.481 ( 0.000 -0.676 2.432) 2.524 29.795 ( 0.000 -0.926 -1.761) 1.989 35.778 ( -0.000 2.133 1.141) 2.419 36.477 ( -0.000 15.833 -2.405) 16.015 36.735 ( -0.000 9.709 -0.790) 9.741 38.248 ( 0.000 -8.578 3.482) 9.258 39.143 ( -0.000 13.500 -11.542) 17.761 40.161 ( 0.000 -14.796 11.434) 18.699 40.845 ( 0.000 -16.516 4.405) 17.094 42.678 ( 0.000 -2.182 -17.806) 17.939 ======================= Grid point 136 (53/85) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 0.920 -12.409 5.032) 13.422 3.183 ( -17.544 2.860 0.482) 17.782 3.806 ( 4.001 -0.866 -8.174) 9.142 4.599 ( -3.194 -1.185 33.651) 33.823 5.462 ( -7.523 -14.518 -8.550) 18.452 5.906 ( 5.509 6.768 -1.668) 8.885 6.169 ( -8.838 -4.321 -4.862) 10.974 6.441 ( -1.401 3.787 -9.417) 10.246 7.072 ( -7.606 -18.028 -7.386) 20.915 7.236 ( 0.412 -4.267 0.726) 4.348 7.582 ( 6.531 -13.186 -13.074) 19.684 8.003 ( 0.287 5.687 -4.061) 6.994 8.328 ( -3.788 -2.189 1.488) 4.621 8.704 ( 7.356 -1.167 -2.459) 7.843 8.951 ( -0.297 -4.809 1.405) 5.018 9.229 ( -9.998 -6.976 -10.505) 16.093 9.470 ( -2.756 -4.989 7.873) 9.719 9.812 ( -6.516 -5.149 0.224) 8.308 9.985 ( 1.908 -15.434 1.450) 15.619 10.491 ( -1.080 -1.405 -6.188) 6.437 10.640 ( 3.624 0.076 -4.512) 5.788 10.710 ( 0.158 2.687 2.130) 3.433 11.310 ( -1.413 5.981 4.265) 7.481 11.676 ( 7.797 1.096 -11.923) 14.288 11.986 ( -8.310 -1.604 -4.539) 9.603 12.308 ( -0.598 4.373 5.980) 7.433 12.712 ( -9.147 4.619 -0.958) 10.292 12.888 ( 4.372 5.165 2.804) 7.325 13.129 ( -3.709 0.309 1.121) 3.888 13.605 ( 5.350 14.946 3.659) 16.291 13.970 ( -0.908 9.832 -1.905) 10.056 14.277 ( -0.644 0.538 11.054) 11.086 14.552 ( 15.118 -2.313 -0.636) 15.307 15.056 ( -2.098 -3.266 -4.140) 5.675 15.492 ( 12.088 -11.407 11.520) 20.223 16.000 ( -1.038 -5.738 12.211) 13.532 18.106 ( -1.508 -8.778 0.015) 8.906 18.491 ( -5.940 -0.745 -0.145) 5.988 18.624 ( 4.560 2.759 -3.112) 6.172 19.124 ( -0.904 -1.359 -1.237) 2.048 19.263 ( 0.725 3.295 0.364) 3.394 19.928 ( 0.775 -0.695 6.133) 6.220 20.066 ( -0.443 1.603 0.200) 1.675 20.366 ( -3.865 -2.455 -3.936) 6.038 20.592 ( 0.937 6.567 8.717) 10.954 21.228 ( 0.692 4.903 -8.957) 10.235 22.025 ( -0.980 -5.145 -3.089) 6.081 22.573 ( -0.689 16.879 2.650) 17.100 28.362 ( -2.660 -3.602 -2.073) 4.934 29.284 ( -0.171 -5.082 -0.981) 5.179 29.503 ( 0.282 -3.158 1.216) 3.396 29.757 ( -1.124 0.145 -1.447) 1.838 35.880 ( 8.674 3.763 2.950) 9.905 36.534 ( -4.215 16.055 -1.425) 16.660 36.865 ( 8.026 12.330 1.019) 14.747 38.247 ( 0.093 -10.895 5.531) 12.219 39.001 ( -4.220 7.183 -13.300) 15.694 40.200 ( -1.250 -15.106 8.434) 17.346 40.820 ( -1.377 -13.262 6.800) 14.967 42.324 ( -2.201 -6.765 -22.393) 23.496 ======================= Grid point 137 (54/85) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -0.800 -13.098 0.264) 13.125 2.824 ( -23.446 -3.393 -8.489) 25.165 3.869 ( 9.900 2.246 0.589) 10.169 4.921 ( -13.433 -2.460 7.592) 15.625 5.131 ( 9.474 -29.349 -4.366) 31.148 5.825 ( -19.538 -0.459 -3.315) 19.823 5.938 ( 4.681 -10.731 -10.255) 15.564 6.389 ( -8.788 7.854 7.424) 13.929 6.827 ( 3.209 -16.009 -5.117) 17.110 7.183 ( -3.759 3.416 -5.602) 7.562 7.462 ( 9.230 -6.296 -4.939) 12.216 7.868 ( -6.033 -7.958 -4.790) 11.076 8.326 ( 2.768 -3.387 -0.110) 4.376 8.641 ( 0.193 -9.985 -5.179) 11.249 8.851 ( -2.396 -7.833 -6.473) 10.440 9.081 ( -1.797 9.075 0.888) 9.293 9.495 ( -0.512 -10.082 4.163) 10.920 9.666 ( -12.165 -5.091 1.960) 13.332 10.025 ( 10.276 -10.020 2.632) 14.592 10.373 ( -6.746 6.308 -3.987) 10.060 10.664 ( 1.839 3.273 -0.126) 3.756 10.840 ( 10.054 1.440 4.899) 11.276 11.282 ( -1.409 2.008 -6.313) 6.773 11.648 ( 6.224 4.030 -7.510) 10.554 11.829 ( -10.530 1.195 0.971) 10.642 12.386 ( -5.328 -2.815 6.306) 8.723 12.589 ( -10.890 1.247 0.246) 10.964 13.088 ( 1.927 11.055 -0.029) 11.222 13.141 ( 6.755 3.661 5.600) 9.508 13.751 ( 1.873 8.974 -4.424) 10.179 14.071 ( 9.008 10.058 2.978) 13.827 14.388 ( 3.222 -5.062 4.682) 7.611 14.715 ( 3.906 9.313 1.190) 10.169 14.939 ( -2.281 -2.448 -3.836) 5.090 15.728 ( 9.868 -10.875 8.366) 16.900 16.097 ( -4.181 -4.313 9.351) 11.114 17.994 ( -2.153 -10.078 -1.607) 10.430 18.378 ( -4.610 -6.839 -1.653) 8.412 18.705 ( 3.024 5.499 2.134) 6.628 19.084 ( -2.413 -1.273 -0.321) 2.747 19.300 ( 1.671 3.194 -0.255) 3.613 19.996 ( -0.552 -1.075 2.632) 2.896 20.073 ( 1.065 0.519 -0.347) 1.234 20.222 ( -6.277 -3.827 -3.484) 8.136 20.806 ( 2.528 8.627 7.502) 11.709 21.151 ( 1.647 6.374 -6.802) 9.466 21.954 ( -1.320 -3.936 -0.573) 4.191 22.702 ( -0.283 17.138 -0.374) 17.145 28.259 ( -3.422 -6.116 -1.678) 7.207 29.247 ( 0.634 -2.655 -0.806) 2.846 29.476 ( 0.015 -4.983 -0.908) 5.065 29.737 ( -1.744 1.534 0.316) 2.344 36.123 ( 15.907 6.119 4.966) 17.752 36.560 ( -5.347 16.307 -2.211) 17.303 37.084 ( 9.449 12.121 1.449) 15.437 38.287 ( 1.961 -14.674 9.885) 17.801 38.738 ( -9.283 1.138 -13.954) 16.799 40.200 ( -0.897 -7.277 3.811) 8.264 40.820 ( -1.593 -13.781 6.290) 15.232 41.898 ( -5.691 -10.753 -16.346) 20.376 ======================= Grid point 145 (55/85) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.000 -9.274 -0.755) 9.305 3.298 ( 0.000 -4.010 -11.126) 11.826 3.603 ( -0.000 1.095 -2.806) 3.012 4.947 ( 0.000 -29.178 6.605) 29.916 5.205 ( 0.000 -4.237 -13.123) 13.790 5.662 ( 0.000 -5.200 -11.909) 12.995 6.199 ( -0.000 6.663 -0.335) 6.671 6.539 ( -0.000 8.696 7.162) 11.266 6.811 ( 0.000 -34.677 -9.381) 35.924 7.219 ( 0.000 -5.412 2.854) 6.118 7.326 ( 0.000 0.685 -9.979) 10.003 7.892 ( 0.000 -5.255 -7.362) 9.045 8.369 ( 0.000 -9.009 0.718) 9.038 8.534 ( 0.000 -4.700 -6.755) 8.230 8.826 ( 0.000 -15.884 -7.516) 17.573 9.179 ( -0.000 7.319 -3.675) 8.190 9.542 ( 0.000 -6.165 5.702) 8.397 9.720 ( 0.000 -12.080 -0.854) 12.110 10.026 ( 0.000 -6.849 5.163) 8.577 10.358 ( 0.000 -4.811 -1.827) 5.146 10.612 ( -0.000 11.945 -5.597) 13.191 10.759 ( 0.000 -0.926 4.366) 4.463 11.376 ( 0.000 2.322 -15.272) 15.447 11.501 ( -0.000 7.700 5.999) 9.761 11.946 ( 0.000 -2.441 -3.999) 4.685 12.477 ( -0.000 6.600 7.961) 10.341 12.847 ( -0.000 3.458 3.784) 5.126 12.928 ( -0.000 12.021 2.933) 12.374 13.171 ( 0.000 -3.126 -0.335) 3.144 13.651 ( -0.000 11.496 -4.291) 12.271 14.051 ( -0.000 3.083 1.831) 3.586 14.315 ( 0.000 -7.259 1.477) 7.408 14.591 ( -0.000 16.311 9.481) 18.867 14.980 ( 0.000 0.097 -4.778) 4.779 15.559 ( 0.000 -6.563 13.197) 14.739 16.184 ( 0.000 -9.802 16.242) 18.971 18.020 ( 0.000 -12.631 -1.945) 12.780 18.435 ( 0.000 -6.139 -6.176) 8.708 18.672 ( -0.000 5.568 6.472) 8.537 19.125 ( -0.000 1.080 0.046) 1.081 19.271 ( -0.000 2.452 -0.956) 2.632 19.997 ( -0.000 -0.301 3.796) 3.808 20.064 ( -0.000 2.091 -2.425) 3.202 20.305 ( 0.000 -3.297 -4.394) 5.494 20.777 ( -0.000 7.440 8.897) 11.598 21.133 ( -0.000 7.192 -7.735) 10.562 21.971 ( 0.000 -4.173 -0.767) 4.243 22.720 ( -0.000 21.388 -1.525) 21.442 28.304 ( 0.000 -5.791 -2.989) 6.517 29.229 ( 0.000 -4.907 -1.281) 5.072 29.472 ( 0.000 -5.469 -1.091) 5.577 29.767 ( -0.000 2.003 0.637) 2.101 35.915 ( -0.000 5.206 4.736) 7.038 36.666 ( -0.000 15.742 -0.483) 15.749 36.919 ( -0.000 13.076 1.899) 13.213 38.262 ( 0.000 -13.207 7.586) 15.230 38.853 ( -0.000 2.927 -13.827) 14.134 40.215 ( 0.000 -12.445 5.375) 13.556 40.834 ( 0.000 -15.626 6.240) 16.826 41.963 ( 0.000 -10.963 -17.450) 20.608 ======================= Grid point 146 (56/85) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 1.244 -10.685 -3.067) 11.186 2.831 ( -19.341 -10.284 -18.823) 28.882 3.701 ( 13.618 -2.842 -3.136) 14.261 4.476 ( 3.395 -27.727 -30.594) 41.428 4.810 ( 1.631 -24.870 -25.868) 35.921 5.789 ( 4.018 -0.629 15.490) 16.015 6.086 ( -13.111 1.618 -7.951) 15.419 6.405 ( 10.137 -38.428 -10.422) 41.086 6.786 ( -6.137 7.606 16.163) 18.888 7.173 ( -6.052 -0.309 -5.804) 8.391 7.250 ( 6.797 -1.362 -1.728) 7.144 7.752 ( -1.087 -10.662 -3.663) 11.326 8.270 ( 1.837 -8.688 0.476) 8.893 8.441 ( 2.598 -6.304 -7.120) 9.858 8.627 ( 7.171 -15.303 -6.137) 17.979 9.194 ( -3.455 8.830 0.652) 9.505 9.506 ( -6.279 -12.291 2.797) 14.083 9.729 ( 5.221 -1.803 0.561) 5.551 9.982 ( -3.757 -6.346 3.893) 8.339 10.411 ( 3.637 2.184 0.883) 4.333 10.626 ( 3.619 5.996 -1.245) 7.113 10.841 ( 1.610 4.512 2.399) 5.358 11.168 ( 0.071 3.597 -11.277) 11.837 11.639 ( -2.635 8.534 2.777) 9.353 11.889 ( -0.420 -2.077 0.793) 2.262 12.583 ( -6.084 1.862 5.275) 8.265 12.786 ( -15.901 2.592 3.042) 16.395 13.065 ( 2.042 -1.821 -3.757) 4.648 13.225 ( 7.993 10.241 6.549) 14.548 13.659 ( 4.139 8.496 -6.106) 11.251 14.064 ( 3.905 1.938 -1.738) 4.693 14.368 ( 1.905 0.724 2.630) 3.327 14.855 ( 3.662 14.625 6.528) 16.429 14.922 ( -4.944 6.111 -1.103) 7.937 15.763 ( 4.343 -2.724 12.019) 13.067 16.326 ( -6.974 -11.746 17.036) 21.837 17.904 ( 0.252 -11.901 -1.263) 11.970 18.295 ( -0.824 -7.826 -4.873) 9.256 18.815 ( -0.718 5.218 7.223) 8.939 19.117 ( -3.029 0.784 0.272) 3.141 19.281 ( 2.371 2.902 -1.753) 4.137 20.001 ( -0.544 -2.727 -3.037) 4.117 20.048 ( 0.068 0.989 -0.576) 1.147 20.208 ( -2.696 -3.345 -1.953) 4.720 20.890 ( 0.055 11.766 -5.268) 12.892 21.147 ( 1.435 5.733 4.437) 7.390 21.938 ( -0.602 -4.200 0.521) 4.274 22.803 ( -1.931 23.380 -6.757) 24.414 28.207 ( -1.117 -6.931 -2.535) 7.465 29.191 ( 1.903 -3.598 -1.167) 4.234 29.404 ( 0.321 -6.361 -2.348) 6.788 29.795 ( -1.510 2.505 1.912) 3.494 36.100 ( 9.699 7.022 6.311) 13.536 36.717 ( -6.361 14.649 -0.904) 15.996 37.097 ( 7.256 12.259 2.775) 14.514 38.304 ( 2.027 -16.421 9.299) 18.980 38.625 ( -5.319 -0.813 -12.123) 13.263 40.199 ( -0.472 -5.707 0.957) 5.806 40.770 ( -0.074 -15.824 -1.095) 15.862 41.710 ( -0.586 -18.079 0.907) 18.111 ======================= Grid point 155 (57/85) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.000 -12.764 -5.023) 13.717 2.545 ( 0.000 -16.517 -22.417) 27.845 3.427 ( 0.000 -15.634 -13.227) 20.478 3.705 ( 0.000 -20.067 -44.723) 49.019 4.203 ( 0.000 -35.446 -20.193) 40.794 5.600 ( 0.000 -60.960 -21.128) 64.517 5.976 ( -0.000 1.523 9.378) 9.501 6.172 ( -0.000 10.412 -9.388) 14.019 6.986 ( 0.000 -3.665 -6.409) 7.383 7.105 ( -0.000 0.259 5.482) 5.488 7.338 ( -0.000 -0.958 7.693) 7.753 7.667 ( 0.000 -9.119 1.404) 9.226 8.119 ( 0.000 -16.573 0.446) 16.579 8.365 ( 0.000 -18.828 -2.772) 19.031 8.455 ( -0.000 8.008 4.305) 9.092 9.261 ( -0.000 2.906 -0.006) 2.906 9.445 ( 0.000 -11.369 -8.616) 14.265 9.723 ( 0.000 -3.111 9.346) 9.850 10.008 ( -0.000 3.671 -3.233) 4.892 10.384 ( 0.000 -4.490 2.206) 5.002 10.711 ( -0.000 10.022 5.691) 11.525 10.889 ( -0.000 4.144 -1.668) 4.467 11.052 ( -0.000 10.691 -6.469) 12.495 11.788 ( -0.000 7.419 3.261) 8.104 11.908 ( -0.000 2.179 3.490) 4.115 12.660 ( 0.000 -6.580 0.558) 6.604 12.812 ( 0.000 -18.247 -11.151) 21.384 13.005 ( -0.000 12.290 0.617) 12.305 13.370 ( -0.000 14.334 8.830) 16.835 13.667 ( -0.000 10.812 0.148) 10.813 13.989 ( -0.000 1.300 -4.055) 4.258 14.413 ( -0.000 3.662 0.368) 3.680 14.936 ( -0.000 8.074 1.883) 8.291 15.130 ( -0.000 19.234 6.302) 20.241 15.928 ( -0.000 1.504 12.362) 12.453 16.572 ( 0.000 -17.693 22.268) 28.441 17.805 ( 0.000 -11.456 -0.116) 11.456 18.175 ( 0.000 -8.193 -3.994) 9.115 18.972 ( -0.000 3.709 8.023) 8.839 19.155 ( -0.000 1.698 0.137) 1.703 19.246 ( -0.000 3.463 -2.752) 4.424 19.897 ( 0.000 -3.370 -7.155) 7.909 20.053 ( 0.000 -0.478 0.028) 0.479 20.189 ( 0.000 -3.213 0.455) 3.245 20.826 ( -0.000 17.494 -15.035) 23.067 21.288 ( -0.000 3.728 8.997) 9.739 21.923 ( 0.000 -5.438 1.272) 5.584 22.836 ( -0.000 28.997 -15.229) 32.752 28.126 ( 0.000 -6.742 -2.344) 7.138 29.135 ( 0.000 -3.666 -0.925) 3.781 29.320 ( 0.000 -6.351 -2.506) 6.828 29.852 ( -0.000 2.144 2.153) 3.038 36.191 ( -0.000 7.100 7.098) 10.039 36.851 ( -0.000 11.669 0.522) 11.681 37.185 ( -0.000 12.494 3.848) 13.073 38.279 ( 0.000 -14.971 1.657) 15.063 38.506 ( 0.000 -6.529 -2.365) 6.944 40.157 ( 0.000 -3.180 -3.476) 4.711 40.603 ( 0.000 -13.319 -5.490) 14.407 41.719 ( 0.000 -30.172 22.431) 37.597 ======================= Grid point 186 (58/85) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -0.000 -0.000 10.206) 10.206 3.267 ( -0.000 -0.000 24.905) 24.905 3.416 ( -0.000 -0.000 2.200) 2.200 3.501 ( -0.000 -0.000 8.136) 8.136 5.266 ( 0.000 0.000 -11.378) 11.378 5.374 ( -0.000 -0.000 27.857) 27.857 6.423 ( -0.000 -0.000 3.459) 3.459 6.762 ( -0.000 -0.000 24.764) 24.764 6.855 ( 0.000 0.000 -8.697) 8.697 7.141 ( -0.000 -0.000 2.448) 2.448 7.313 ( -0.000 -0.000 1.784) 1.784 7.693 ( -0.000 -0.000 16.830) 16.830 7.868 ( -0.000 -0.000 0.808) 0.808 8.586 ( -0.000 -0.000 35.144) 35.144 8.766 ( -0.000 -0.000 5.250) 5.250 9.081 ( -0.000 -0.000 6.012) 6.012 9.264 ( 0.000 0.000 -11.864) 11.864 9.708 ( 0.000 0.000 -1.374) 1.374 9.954 ( 0.000 0.000 -2.910) 2.910 10.353 ( -0.000 -0.000 16.128) 16.128 10.668 ( 0.000 0.000 -1.642) 1.642 11.143 ( 0.000 0.000 -18.284) 18.284 11.230 ( 0.000 0.000 -9.970) 9.970 11.734 ( -0.000 -0.000 25.659) 25.659 12.204 ( -0.000 -0.000 3.938) 3.938 12.390 ( 0.000 0.000 -2.335) 2.335 12.773 ( 0.000 0.000 -3.897) 3.897 13.018 ( 0.000 0.000 -6.765) 6.765 13.573 ( 0.000 0.000 -12.153) 12.153 13.635 ( 0.000 0.000 -3.078) 3.078 13.900 ( -0.000 -0.000 4.131) 4.131 14.519 ( -0.000 -0.000 2.009) 2.009 14.867 ( 0.000 0.000 -5.052) 5.052 14.912 ( 0.000 0.000 -13.363) 13.363 15.353 ( 0.000 0.000 -17.117) 17.117 15.775 ( 0.000 0.000 -4.669) 4.669 17.277 ( -0.000 -0.000 0.610) 0.610 18.228 ( -0.000 -0.000 4.739) 4.739 18.425 ( 0.000 0.000 -8.373) 8.373 19.256 ( 0.000 0.000 -1.174) 1.174 19.415 ( -0.000 -0.000 2.241) 2.241 20.015 ( 0.000 0.000 -0.343) 0.343 20.293 ( -0.000 -0.000 2.865) 2.865 20.324 ( -0.000 -0.000 6.707) 6.707 20.924 ( 0.000 0.000 -9.132) 9.132 21.419 ( -0.000 -0.000 5.487) 5.487 21.771 ( 0.000 0.000 -2.650) 2.650 23.689 ( 0.000 0.000 -16.156) 16.156 28.102 ( -0.000 -0.000 3.151) 3.151 29.156 ( -0.000 -0.000 3.364) 3.364 29.426 ( -0.000 -0.000 5.612) 5.612 29.891 ( 0.000 0.000 -1.070) 1.070 36.006 ( 0.000 0.000 -7.295) 7.295 36.393 ( 0.000 0.000 -6.572) 6.572 37.163 ( 0.000 0.000 -12.998) 12.998 37.868 ( -0.000 -0.000 14.650) 14.650 38.772 ( -0.000 -0.000 3.814) 3.814 39.901 ( 0.000 0.000 -3.168) 3.168 41.069 ( -0.000 -0.000 19.513) 19.513 41.760 ( -0.000 -0.000 23.586) 23.586 ======================= Grid point 187 (59/85) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( -8.566 -4.946 0.099) 9.892 3.363 ( -10.449 -6.033 10.886) 16.251 3.502 ( 2.719 1.570 -6.072) 6.835 3.760 ( 12.505 7.220 6.529) 15.847 5.189 ( -6.718 -3.878 8.111) 11.223 5.881 ( 12.282 7.091 24.686) 28.470 6.285 ( -2.950 -1.703 -10.143) 10.700 6.625 ( -6.803 -3.928 -12.750) 14.976 6.863 ( -19.518 -11.269 4.807) 23.044 7.131 ( -3.245 -1.873 4.289) 5.695 7.509 ( 14.239 8.221 9.167) 18.825 7.933 ( 3.817 2.204 3.884) 5.875 8.192 ( 16.968 9.796 17.458) 26.242 8.844 ( -1.909 -1.102 12.659) 12.850 8.985 ( -9.063 -5.232 -5.011) 11.603 9.167 ( 0.801 0.462 33.306) 33.319 9.283 ( 11.418 6.592 -0.998) 13.222 9.677 ( -6.665 -3.848 5.279) 9.332 9.946 ( 2.097 1.210 -1.825) 3.032 10.436 ( -8.956 -5.171 6.224) 12.070 10.700 ( -4.041 -2.333 -7.098) 8.494 10.907 ( 3.548 2.049 0.194) 4.102 11.167 ( 7.522 4.343 -7.677) 11.592 12.077 ( -7.129 -4.116 9.710) 12.730 12.220 ( -3.807 -2.198 16.535) 17.109 12.348 ( -2.931 -1.692 -2.182) 4.027 12.579 ( -7.860 -4.538 -7.733) 11.923 12.981 ( 4.564 2.635 -3.639) 6.404 13.355 ( -2.357 -1.361 -11.492) 11.810 13.642 ( 8.748 5.051 -8.095) 12.945 13.995 ( 5.454 3.149 0.038) 6.298 14.424 ( -13.609 -7.857 -6.549) 17.024 14.723 ( 1.587 0.916 -9.147) 9.329 14.817 ( 9.487 5.477 -6.839) 12.914 15.149 ( -6.505 -3.756 1.474) 7.655 15.753 ( 8.065 4.656 -5.798) 10.970 17.376 ( 7.402 4.274 3.103) 9.093 18.274 ( -1.731 -0.999 -0.214) 2.010 18.366 ( 6.152 3.552 -2.518) 7.536 19.220 ( -2.328 -1.344 -0.855) 2.820 19.436 ( -0.726 -0.419 1.065) 1.355 19.992 ( -2.080 -1.201 -0.570) 2.468 20.316 ( -2.738 -1.581 2.970) 4.338 20.368 ( -3.740 -2.159 1.749) 4.659 20.799 ( 0.988 0.570 -7.393) 7.481 21.508 ( -1.006 -0.581 6.980) 7.076 21.736 ( 1.887 1.089 -3.490) 4.115 23.363 ( -8.132 -4.695 -16.193) 18.719 28.158 ( 0.614 0.355 3.265) 3.341 29.223 ( 1.453 0.839 3.554) 3.930 29.508 ( -0.555 -0.321 5.325) 5.363 29.855 ( -2.286 -1.320 -0.991) 2.820 35.928 ( 4.183 2.415 -6.609) 8.186 36.335 ( 5.573 3.218 -7.636) 9.986 36.986 ( 2.909 1.680 -12.908) 13.338 38.072 ( -2.743 -1.584 14.297) 14.644 38.825 ( 2.522 1.456 0.591) 2.971 39.880 ( 0.711 0.410 -0.520) 0.972 41.264 ( -9.902 -5.717 16.101) 19.748 42.166 ( 6.712 3.875 21.461) 22.817 ======================= Grid point 188 (60/85) ======================= q-point: (-0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -13.233 -7.640 0.058) 15.281 3.313 ( -14.508 -8.376 3.177) 17.050 3.388 ( 0.958 0.553 -5.940) 6.042 3.895 ( 0.433 0.250 -3.203) 3.241 5.228 ( -11.458 -6.616 12.898) 18.477 6.069 ( -15.399 -8.890 -1.213) 17.822 6.298 ( -4.338 -2.504 -12.984) 13.916 6.461 ( 11.688 6.748 18.112) 22.588 6.665 ( -1.447 -0.836 1.227) 2.073 7.147 ( 0.731 0.422 0.233) 0.875 7.839 ( 11.798 6.811 5.274) 14.608 8.082 ( 5.334 3.079 4.572) 7.670 8.510 ( 0.365 0.211 5.062) 5.080 8.771 ( -10.176 -5.875 1.252) 11.817 9.092 ( 4.951 2.859 8.402) 10.163 9.450 ( 4.577 2.643 1.609) 5.525 9.520 ( -8.514 -4.915 18.829) 21.241 9.694 ( -6.144 -3.547 7.329) 10.200 9.948 ( -1.495 -0.863 4.530) 4.848 10.311 ( -2.641 -1.525 -6.456) 7.140 10.551 ( -4.052 -2.339 3.012) 5.564 10.976 ( -2.039 -1.177 2.311) 3.299 11.278 ( 10.344 5.972 1.545) 12.043 11.822 ( -15.048 -8.688 -12.059) 21.151 12.111 ( -11.246 -6.493 1.461) 13.067 12.483 ( -1.836 -1.060 0.609) 2.206 12.628 ( 3.065 1.769 21.071) 21.366 12.875 ( -6.802 -3.927 -11.720) 14.108 13.224 ( 2.678 1.546 -3.426) 4.615 13.651 ( 11.473 6.624 -10.408) 16.848 13.959 ( 2.251 1.299 -13.834) 14.076 14.071 ( -5.375 -3.103 -11.516) 13.082 14.752 ( 6.177 3.566 2.236) 7.475 14.887 ( -0.270 -0.156 2.589) 2.607 15.246 ( 8.659 4.999 9.580) 13.848 15.878 ( 15.418 8.902 -1.218) 17.845 17.567 ( 8.802 5.082 4.380) 11.067 18.215 ( -2.142 -1.237 -1.433) 2.859 18.492 ( 9.579 5.531 0.530) 11.074 19.164 ( -3.545 -2.047 -0.237) 4.100 19.420 ( -1.692 -0.977 -0.759) 2.097 19.930 ( -4.547 -2.625 -0.561) 5.280 20.250 ( -7.779 -4.491 -1.793) 9.160 20.310 ( -4.671 -2.697 1.982) 5.746 20.725 ( 1.317 0.760 -5.832) 6.027 21.567 ( -1.245 -0.719 1.660) 2.196 21.757 ( 3.295 1.903 2.156) 4.374 22.979 ( -9.885 -5.707 -14.638) 18.562 28.211 ( -0.321 -0.185 3.050) 3.072 29.295 ( 0.560 0.323 3.155) 3.221 29.561 ( -1.787 -1.032 3.571) 4.124 29.804 ( -2.354 -1.359 -0.088) 2.720 35.943 ( 9.006 5.199 -5.211) 11.631 36.325 ( 8.264 4.771 -8.124) 12.532 36.866 ( 5.925 3.421 -11.942) 13.763 38.207 ( -4.864 -2.808 11.358) 12.671 38.868 ( 3.333 1.924 -1.302) 4.063 39.905 ( -0.477 -0.275 3.635) 3.676 41.260 ( -15.551 -8.978 10.366) 20.734 42.587 ( 9.087 5.247 16.032) 19.160 ======================= Grid point 189 (61/85) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -16.132 -9.314 6.001) 19.571 3.045 ( -16.333 -9.430 -2.758) 19.060 3.327 ( -8.061 -4.654 0.888) 9.350 3.721 ( -13.799 -7.967 -1.531) 16.007 5.193 ( -14.302 -8.257 9.095) 18.853 5.692 ( -22.996 -13.277 -1.229) 26.582 6.169 ( 4.446 2.567 -9.318) 10.639 6.613 ( -1.522 -0.879 9.057) 9.226 7.027 ( 18.111 10.456 6.168) 21.803 7.184 ( 1.003 0.579 4.689) 4.830 7.987 ( -6.559 -3.787 0.758) 7.612 8.143 ( -8.151 -4.706 5.226) 10.766 8.460 ( -2.907 -1.678 -2.804) 4.373 8.757 ( 1.367 0.789 5.245) 5.478 9.118 ( -4.098 -2.366 -4.170) 6.307 9.286 ( -21.978 -12.689 0.487) 25.382 9.539 ( -6.488 -3.746 -3.736) 8.372 9.654 ( -10.628 -6.136 9.220) 15.350 10.077 ( 7.587 4.381 5.540) 10.366 10.311 ( 1.220 0.705 2.847) 3.177 10.572 ( -1.263 -0.729 3.408) 3.707 11.033 ( 1.391 0.803 6.642) 6.833 11.413 ( -7.068 -4.081 -16.272) 18.204 11.437 ( 4.427 2.556 3.192) 6.026 11.920 ( -13.960 -8.060 -5.985) 17.195 12.452 ( 0.653 0.377 2.429) 2.544 12.658 ( 3.011 1.738 -5.354) 6.384 12.960 ( -0.360 -0.208 17.304) 17.309 13.196 ( -0.511 -0.295 -5.041) 5.075 13.748 ( 8.392 4.845 -1.266) 9.772 13.780 ( 4.455 2.572 -12.571) 13.582 13.910 ( 5.219 3.013 -8.416) 10.351 14.815 ( -3.262 -1.884 2.473) 4.506 14.941 ( 7.542 4.354 -3.371) 9.339 15.624 ( 13.437 7.758 12.460) 19.900 16.224 ( 23.531 13.586 5.767) 27.777 17.772 ( 7.611 4.394 5.085) 10.154 18.183 ( -2.409 -1.391 2.061) 3.462 18.664 ( 11.632 6.716 -0.369) 13.436 19.107 ( -3.599 -2.078 0.556) 4.193 19.357 ( -2.583 -1.491 -3.290) 4.441 19.848 ( -6.341 -3.661 2.188) 7.642 20.093 ( -7.686 -4.438 -1.328) 8.974 20.252 ( -5.543 -3.200 1.046) 6.485 20.635 ( -1.435 -0.829 -6.277) 6.492 21.531 ( 0.374 0.216 -4.488) 4.509 21.889 ( 2.910 1.680 7.567) 8.280 22.620 ( -9.044 -5.222 -12.521) 16.305 28.236 ( -2.046 -1.181 2.613) 3.523 29.319 ( -2.819 -1.628 2.062) 3.853 29.544 ( -4.817 -2.781 1.244) 5.700 29.801 ( 1.061 0.613 0.917) 1.531 36.043 ( 11.577 6.684 -3.957) 13.941 36.355 ( 10.757 6.211 -7.199) 14.357 36.817 ( 8.977 5.183 -9.601) 14.129 38.271 ( -5.475 -3.161 7.998) 10.195 38.880 ( 2.265 1.307 -3.171) 4.110 39.973 ( -2.750 -1.588 8.437) 9.015 41.109 ( -17.533 -10.123 5.077) 20.872 42.903 ( 9.028 5.212 4.989) 11.557 ======================= Grid point 190 (62/85) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -15.895 -9.177 11.009) 21.403 2.744 ( -19.310 -11.148 -0.924) 22.316 3.092 ( -22.364 -12.912 6.813) 26.707 3.577 ( -14.290 -8.251 12.189) 20.515 4.955 ( -34.882 -20.139 10.622) 41.656 5.532 ( 4.381 2.529 1.279) 5.218 6.102 ( 2.738 1.581 -6.436) 7.170 6.742 ( -1.634 -0.943 9.687) 9.869 7.201 ( 11.287 6.517 -7.934) 15.259 7.378 ( -7.748 -4.473 13.600) 16.279 7.440 ( -48.579 -28.047 0.878) 56.101 8.073 ( -7.399 -4.272 -1.715) 8.714 8.454 ( 4.316 2.492 -2.203) 5.449 8.743 ( -9.402 -5.428 -3.526) 11.415 8.844 ( -20.400 -11.778 -7.232) 24.641 9.116 ( 10.642 6.144 -2.967) 12.642 9.435 ( -5.348 -3.088 2.410) 6.629 9.641 ( -5.151 -2.974 9.374) 11.102 10.176 ( -6.914 -3.992 2.872) 8.484 10.392 ( 6.613 3.818 -0.897) 7.688 10.617 ( 2.672 1.542 2.799) 4.166 11.007 ( -4.722 -2.726 -10.313) 11.665 11.126 ( -9.025 -5.210 -5.950) 12.000 11.545 ( 8.001 4.619 0.378) 9.246 11.729 ( 1.435 0.828 1.431) 2.189 12.615 ( 3.748 2.164 7.368) 8.545 12.695 ( 9.152 5.284 -2.659) 10.897 13.074 ( -4.160 -2.402 -4.771) 6.770 13.162 ( -2.298 -1.327 12.314) 12.596 13.616 ( 4.433 2.559 -12.600) 13.600 13.838 ( 3.907 2.255 -1.316) 4.699 14.069 ( 12.345 7.127 5.206) 15.175 14.797 ( -0.776 -0.448 0.651) 1.108 14.980 ( 9.311 5.376 -8.435) 13.665 15.941 ( 8.327 4.808 4.871) 10.779 16.713 ( 25.091 14.486 2.667) 29.095 17.956 ( 4.509 2.604 5.446) 7.535 18.182 ( -3.933 -2.271 3.326) 5.629 18.836 ( 11.926 6.885 -2.073) 13.926 19.085 ( -1.326 -0.765 2.432) 2.874 19.244 ( -3.358 -1.939 -4.264) 5.764 19.831 ( -4.781 -2.760 6.921) 8.853 20.011 ( -4.624 -2.669 6.029) 8.053 20.176 ( -4.263 -2.461 -0.163) 4.925 20.486 ( -4.830 -2.788 -6.502) 8.566 21.459 ( 1.773 1.024 -6.963) 7.257 22.064 ( 3.628 2.094 8.234) 9.238 22.319 ( -7.871 -4.544 -8.468) 12.422 28.225 ( -3.880 -2.240 2.210) 4.996 29.273 ( -5.209 -3.008 0.658) 6.051 29.468 ( -6.638 -3.832 1.344) 7.782 29.839 ( 2.637 1.522 -0.551) 3.094 36.150 ( 9.736 5.621 -5.166) 12.372 36.465 ( 14.313 8.263 -4.162) 17.043 36.868 ( 12.297 7.100 -5.569) 15.252 38.291 ( -5.373 -3.102 6.383) 8.902 38.834 ( -0.315 -0.182 -5.285) 5.297 40.065 ( -5.106 -2.948 11.282) 12.730 40.889 ( -16.374 -9.454 2.316) 19.049 42.957 ( 3.885 2.243 -13.991) 14.692 ======================= Grid point 191 (63/85) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -23.525 -13.582 -5.161) 27.651 2.510 ( -14.963 -8.639 11.914) 20.987 3.130 ( -16.379 -9.457 38.212) 42.636 3.566 ( -16.245 -9.379 16.776) 25.166 4.539 ( -37.488 -21.643 12.368) 45.019 5.744 ( 8.721 5.035 8.669) 13.288 6.060 ( 2.143 1.238 -4.935) 5.521 6.475 ( -64.761 -37.390 7.194) 75.125 6.859 ( -1.055 -0.609 9.293) 9.372 7.228 ( 5.457 3.151 -9.221) 11.168 7.463 ( -4.561 -2.633 1.605) 5.505 7.856 ( -10.311 -5.953 -5.583) 13.150 8.367 ( -11.460 -6.616 -4.760) 14.063 8.477 ( -1.715 -0.990 -5.540) 5.883 8.592 ( -12.223 -7.057 -0.665) 14.130 9.207 ( 6.644 3.836 -2.786) 8.162 9.416 ( -8.221 -4.746 10.239) 13.963 9.819 ( 9.817 5.668 4.263) 12.111 9.987 ( -13.170 -7.604 -3.238) 15.548 10.436 ( -0.030 -0.017 0.120) 0.125 10.735 ( 3.258 1.881 -3.122) 4.889 10.794 ( 7.117 4.109 -7.817) 11.342 10.958 ( -5.959 -3.440 1.620) 7.069 11.692 ( 10.471 6.045 -1.971) 12.250 11.853 ( 5.598 3.232 2.320) 6.868 12.700 ( -0.206 -0.119 2.006) 2.020 12.832 ( 1.907 1.101 5.183) 5.632 12.944 ( -7.796 -4.501 1.417) 9.113 13.292 ( 7.050 4.070 -0.178) 8.143 13.563 ( 8.873 5.123 -7.248) 12.550 13.902 ( 2.829 1.633 2.581) 4.163 14.312 ( 6.690 3.863 4.668) 9.026 14.837 ( 5.769 3.331 -0.192) 6.664 15.010 ( 12.587 7.267 -9.111) 17.154 16.029 ( 3.417 1.973 -4.920) 6.307 16.934 ( 8.622 4.978 -12.967) 16.348 17.965 ( -8.180 -4.723 -1.074) 9.506 18.192 ( -2.628 -1.517 4.704) 5.598 18.957 ( 9.239 5.334 -4.549) 11.598 19.135 ( 2.222 1.283 1.288) 2.871 19.177 ( -0.765 -0.441 1.266) 1.544 19.855 ( -3.811 -2.200 5.420) 6.982 20.080 ( -3.461 -1.998 1.545) 4.285 20.289 ( 6.082 3.511 8.262) 10.843 20.314 ( -2.036 -1.176 6.787) 7.183 21.377 ( 2.854 1.648 -8.618) 9.227 22.058 ( -5.781 -3.338 -5.224) 8.477 22.352 ( 8.637 4.986 12.580) 16.053 28.183 ( -5.378 -3.105 2.074) 6.547 29.193 ( -5.035 -2.907 0.202) 5.817 29.386 ( -6.748 -3.896 1.907) 8.022 29.856 ( 2.152 1.242 -2.136) 3.277 36.191 ( 7.306 4.218 -6.657) 10.746 36.658 ( 14.765 8.525 -1.715) 17.135 37.026 ( 14.099 8.140 -2.372) 16.453 38.309 ( -5.579 -3.221 7.618) 9.977 38.698 ( -4.667 -2.694 -7.754) 9.442 40.137 ( -6.136 -3.542 9.233) 11.638 40.700 ( -12.697 -7.331 4.205) 15.252 42.532 ( -12.283 -7.092 -33.043) 35.958 ======================= Grid point 196 (64/85) ======================= q-point: ( 0.33 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 0.000 -15.313 1.202) 15.360 3.324 ( 0.000 0.721 -6.288) 6.329 3.538 ( 0.000 0.585 -3.834) 3.878 3.874 ( -0.000 6.234 9.311) 11.205 5.437 ( -0.000 -1.307 17.189) 17.238 6.077 ( 0.000 -1.207 -11.610) 11.673 6.207 ( -0.000 13.620 11.944) 18.115 6.460 ( 0.000 -5.168 -3.860) 6.450 6.958 ( 0.000 -20.843 1.656) 20.909 7.119 ( -0.000 2.085 -4.896) 5.321 7.592 ( -0.000 13.431 5.647) 14.569 8.029 ( -0.000 6.559 5.064) 8.286 8.391 ( -0.000 4.982 11.290) 12.340 8.985 ( 0.000 -3.982 8.988) 9.831 9.086 ( -0.000 5.113 7.681) 9.227 9.163 ( -0.000 1.526 -2.677) 3.081 9.687 ( 0.000 -9.047 20.743) 22.630 9.813 ( -0.000 0.154 17.973) 17.974 9.922 ( -0.000 3.041 0.717) 3.124 10.402 ( 0.000 -13.191 -11.511) 17.508 10.628 ( 0.000 -5.039 3.946) 6.400 11.014 ( -0.000 7.165 3.153) 7.828 11.088 ( -0.000 12.918 -0.353) 12.922 12.119 ( 0.000 -19.303 -0.796) 19.319 12.332 ( 0.000 -5.750 -3.357) 6.658 12.468 ( -0.000 1.420 -1.938) 2.403 12.549 ( -0.000 -0.688 16.229) 16.244 12.955 ( -0.000 3.049 3.818) 4.886 13.191 ( -0.000 3.281 -11.108) 11.583 13.450 ( 0.000 2.363 -12.441) 12.663 13.921 ( -0.000 2.844 -12.074) 12.405 14.237 ( 0.000 -3.039 -22.742) 22.944 14.581 ( 0.000 -8.431 6.551) 10.677 14.892 ( -0.000 10.644 9.104) 14.006 15.223 ( 0.000 -4.396 5.283) 6.873 15.602 ( -0.000 1.464 -6.158) 6.330 17.465 ( -0.000 11.986 5.435) 13.161 18.253 ( -0.000 2.751 -3.192) 4.214 18.362 ( -0.000 3.470 2.125) 4.069 19.209 ( 0.000 -1.565 -0.881) 1.796 19.441 ( 0.000 -0.823 -0.684) 1.071 19.987 ( 0.000 -3.725 0.348) 3.741 20.356 ( 0.000 -4.269 0.990) 4.383 20.381 ( 0.000 -2.398 -0.316) 2.418 20.686 ( 0.000 -0.170 -5.765) 5.768 21.583 ( 0.000 -4.315 1.272) 4.498 21.718 ( -0.000 6.613 1.969) 6.900 23.106 ( 0.000 -7.316 -17.068) 18.570 28.216 ( -0.000 2.361 3.133) 3.923 29.280 ( -0.000 0.984 4.046) 4.164 29.582 ( 0.000 -2.032 4.593) 5.022 29.843 ( 0.000 -1.734 -0.804) 1.912 35.814 ( 0.000 0.518 -5.164) 5.190 36.228 ( -0.000 8.245 -8.111) 11.566 36.792 ( -0.000 2.447 -11.843) 12.093 38.267 ( 0.000 -3.841 10.918) 11.574 38.828 ( -0.000 6.949 -1.982) 7.226 39.912 ( -0.000 -0.379 5.190) 5.204 41.474 ( 0.000 -15.738 12.678) 20.210 42.453 ( -0.000 10.156 14.507) 17.709 ======================= Grid point 198 (65/85) ======================= q-point: (-0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -4.493 -22.044 4.756) 22.995 3.261 ( -2.396 -5.310 -0.429) 5.841 3.455 ( -3.553 4.841 -2.306) 6.433 3.973 ( -6.114 4.925 2.181) 8.148 5.508 ( -13.395 -5.250 4.609) 15.107 5.980 ( 5.937 1.374 -4.777) 7.743 6.260 ( -6.754 1.881 -4.133) 8.138 6.638 ( 5.890 3.280 11.889) 13.668 6.773 ( -10.341 -2.523 3.151) 11.101 7.112 ( 4.637 4.093 -0.440) 6.200 7.794 ( 9.321 4.794 3.206) 10.961 8.154 ( 2.655 8.078 2.732) 8.931 8.494 ( 0.786 0.337 -0.883) 1.229 8.993 ( -12.295 -6.342 7.759) 15.862 9.142 ( 0.911 -5.195 4.127) 6.697 9.397 ( 13.642 4.524 6.192) 15.650 9.644 ( -3.822 -15.466 -1.638) 16.015 9.898 ( -10.661 -0.852 4.218) 11.497 10.058 ( -8.294 1.520 -0.360) 8.440 10.330 ( 4.866 1.766 13.528) 14.485 10.681 ( -3.526 -6.060 9.334) 11.674 10.988 ( 1.004 0.626 -2.892) 3.125 11.297 ( 3.762 9.408 5.804) 11.677 11.759 ( -16.573 -16.118 -11.342) 25.751 12.180 ( -6.739 -4.875 -3.798) 9.144 12.487 ( 0.070 -1.724 1.027) 2.008 12.750 ( -3.815 -0.047 1.031) 3.952 12.945 ( -5.130 1.849 3.888) 6.697 13.169 ( 1.471 -2.039 0.190) 2.522 13.403 ( 16.346 9.557 -4.660) 19.500 13.636 ( 4.231 -8.423 -19.188) 21.378 13.954 ( -3.642 7.141 -12.530) 14.875 14.713 ( 5.235 -2.804 6.368) 8.707 15.065 ( -8.122 1.006 8.000) 11.445 15.321 ( 8.233 1.685 10.310) 13.301 15.676 ( 17.985 2.521 -0.592) 18.170 17.659 ( 1.996 13.480 6.010) 14.893 18.243 ( -2.153 3.084 1.208) 3.950 18.449 ( 5.573 6.153 0.342) 8.308 19.178 ( -1.731 -1.503 -0.314) 2.314 19.400 ( -0.986 -0.891 -3.118) 3.389 19.956 ( -2.414 -6.865 2.609) 7.731 20.248 ( -4.497 -5.647 -4.102) 8.303 20.371 ( -3.078 -2.448 1.770) 4.312 20.620 ( 1.557 -0.616 -4.710) 4.998 21.520 ( 0.395 -1.744 -5.283) 5.577 21.850 ( 0.624 5.911 7.220) 9.352 22.779 ( -3.772 -7.430 -15.196) 17.331 28.274 ( -0.975 2.724 2.641) 3.917 29.350 ( -0.086 0.476 3.976) 4.006 29.608 ( -0.986 -4.712 2.405) 5.381 29.818 ( -1.379 -0.624 0.040) 1.514 35.796 ( 6.797 1.893 -3.470) 7.863 36.186 ( 3.264 10.174 -8.243) 13.495 36.668 ( 3.366 4.444 -9.839) 11.308 38.354 ( -1.589 -5.303 6.360) 8.432 38.849 ( 0.487 9.929 -3.765) 10.630 40.025 ( -1.273 -2.365 11.325) 11.639 41.447 ( -8.770 -19.638 7.397) 22.743 42.715 ( 5.350 9.992 5.201) 12.471 ======================= Grid point 199 (66/85) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -4.725 -23.494 7.215) 25.027 3.110 ( -10.623 -7.367 -2.863) 13.241 3.503 ( -10.587 0.867 13.735) 17.363 3.899 ( -11.472 3.703 1.314) 12.127 5.387 ( -6.389 -1.737 2.737) 7.164 5.883 ( -20.449 -11.756 1.805) 23.656 6.079 ( -5.550 5.815 -5.073) 9.505 6.793 ( 8.686 4.678 -6.562) 11.849 6.837 ( 1.393 6.744 7.178) 9.947 7.325 ( 6.640 3.760 11.527) 13.824 7.935 ( 6.771 -1.408 -1.072) 6.998 8.264 ( 2.327 7.176 -0.970) 7.606 8.444 ( -4.588 1.102 -1.064) 4.837 8.920 ( -6.100 -8.402 3.673) 11.014 9.080 ( -6.595 -16.676 0.913) 17.956 9.265 ( -15.299 -15.677 -7.944) 23.301 9.580 ( -8.409 -4.448 3.277) 10.062 9.854 ( -5.854 -3.939 6.105) 9.330 10.081 ( 5.174 10.309 2.061) 11.717 10.467 ( -5.375 1.397 3.466) 6.546 10.687 ( -7.372 -5.229 4.905) 10.283 11.088 ( 7.054 -0.178 6.745) 9.761 11.211 ( -10.784 -14.395 -9.516) 20.349 11.542 ( -2.157 11.264 1.563) 11.575 11.918 ( -15.174 -0.476 -11.505) 19.049 12.410 ( 0.377 -6.224 -1.707) 6.465 12.634 ( -1.174 4.482 -1.738) 4.948 13.072 ( 4.371 -0.524 -3.163) 5.421 13.181 ( 2.735 4.164 4.330) 6.601 13.440 ( 11.043 -11.952 -8.308) 18.271 13.715 ( 15.689 7.596 2.964) 17.681 13.844 ( -2.721 7.241 0.119) 7.736 14.779 ( 2.204 2.266 -2.678) 4.143 15.017 ( -11.154 -0.839 3.575) 11.743 15.691 ( 13.405 3.181 12.009) 18.277 15.996 ( 29.810 0.356 3.253) 29.989 17.862 ( 2.215 10.671 6.138) 12.508 18.280 ( -3.600 3.355 4.420) 6.615 18.577 ( 8.881 7.494 -1.483) 11.715 19.146 ( -2.596 -0.802 0.981) 2.889 19.311 ( -2.097 -1.482 -4.768) 5.415 19.933 ( -3.424 -7.924 5.967) 10.494 20.105 ( -3.528 -3.903 -2.232) 5.715 20.321 ( -5.835 -1.664 0.802) 6.120 20.547 ( -0.753 -2.124 -4.545) 5.073 21.423 ( 1.126 0.175 -7.658) 7.742 22.010 ( 1.142 5.868 6.720) 8.994 22.474 ( -4.818 -6.388 -11.272) 13.823 28.304 ( -2.608 1.625 2.082) 3.712 29.382 ( -3.354 -1.812 2.775) 4.715 29.579 ( -1.881 -5.278 1.299) 5.752 29.806 ( -0.498 0.354 -0.254) 0.662 35.887 ( 11.553 3.919 -2.194) 12.396 36.194 ( 6.469 10.020 -7.280) 13.973 36.642 ( 6.867 8.029 -6.791) 12.559 38.372 ( -1.709 -5.390 4.080) 6.973 38.846 ( -0.701 9.821 -5.654) 11.353 40.177 ( -3.816 -5.260 15.316) 16.638 41.257 ( -12.970 -19.144 3.311) 23.360 42.831 ( 5.634 6.194 -7.237) 11.067 ======================= Grid point 200 (67/85) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -5.124 -20.641 10.431) 23.688 2.817 ( -17.380 -9.181 -5.903) 20.523 3.564 ( -17.257 -0.812 17.659) 24.704 3.909 ( -12.036 0.996 16.944) 20.807 5.417 ( -20.648 -8.751 12.912) 25.877 5.555 ( -9.229 -3.880 3.134) 10.491 6.032 ( 0.082 7.076 -5.280) 8.830 6.803 ( 9.360 4.710 -8.565) 13.534 6.987 ( 4.069 8.113 -1.175) 9.152 7.509 ( 1.308 -8.506 5.503) 10.215 7.780 ( -22.826 -13.253 -2.670) 26.529 8.175 ( -14.729 -3.782 -4.902) 15.977 8.412 ( -2.749 -1.441 1.333) 3.378 8.745 ( -6.683 -14.541 -5.300) 16.858 8.840 ( -14.936 -13.949 2.382) 20.575 9.029 ( -0.395 5.364 0.384) 5.393 9.529 ( -0.702 -4.254 4.911) 6.535 9.798 ( -8.652 -0.567 0.460) 8.683 10.273 ( 2.853 -1.962 6.928) 7.745 10.410 ( -7.152 1.924 -1.588) 7.574 10.653 ( 1.823 -0.084 -0.564) 1.910 10.868 ( -10.515 -6.700 -7.659) 14.633 11.146 ( -6.470 -1.076 -1.404) 6.708 11.539 ( -4.361 3.312 -0.889) 5.548 11.760 ( 1.922 6.914 1.349) 7.302 12.469 ( 15.118 -0.700 -2.695) 15.372 12.670 ( 4.795 0.941 -0.073) 4.887 13.020 ( -0.697 4.187 -4.992) 6.552 13.260 ( 12.093 -2.738 -6.823) 14.153 13.453 ( -2.980 -2.263 6.755) 7.722 13.819 ( 5.651 4.874 -0.017) 7.462 14.102 ( 8.495 3.554 11.660) 14.857 14.762 ( 3.448 5.986 -6.312) 9.358 14.922 ( -8.667 -0.121 0.462) 8.680 15.930 ( 5.319 1.731 2.332) 6.061 16.416 ( 31.753 -2.763 0.190) 31.873 18.032 ( 0.718 3.920 5.996) 7.200 18.298 ( -6.110 1.352 2.712) 6.820 18.706 ( 10.493 6.631 -3.464) 12.887 19.146 ( -1.988 0.828 1.855) 2.842 19.211 ( -1.821 -1.596 -2.192) 3.266 19.925 ( -2.538 -3.617 2.629) 5.141 20.110 ( 1.609 -5.004 7.390) 9.068 20.256 ( -5.558 3.079 1.180) 6.463 20.441 ( -4.255 -3.513 -1.829) 5.813 21.317 ( 1.989 1.819 -9.504) 9.879 22.124 ( 0.258 2.575 -1.650) 3.069 22.286 ( -1.992 -1.193 0.971) 2.517 28.298 ( -4.092 -0.359 1.819) 4.492 29.331 ( -5.882 -3.768 1.017) 7.059 29.535 ( -4.640 -4.281 2.016) 6.627 29.800 ( 1.786 0.463 -1.884) 2.637 36.021 ( 8.994 7.932 -3.266) 12.429 36.271 ( 13.204 5.905 -4.152) 15.049 36.740 ( 10.201 12.712 -3.156) 16.602 38.382 ( -1.126 -5.271 4.889) 7.276 38.786 ( -3.023 7.218 -7.318) 10.715 40.301 ( -6.881 -8.712 14.344) 18.138 41.021 ( -13.075 -15.418 3.384) 20.497 42.672 ( -1.037 0.212 -20.949) 20.975 ======================= Grid point 201 (68/85) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -24.070 -8.088 -5.548) 25.991 2.706 ( -1.079 -21.608 16.184) 27.019 3.653 ( -7.766 7.282 8.605) 13.689 4.134 ( -17.034 -4.664 37.406) 41.366 5.076 ( -38.930 -15.630 12.984) 43.914 5.798 ( 12.944 1.173 11.679) 17.474 5.974 ( -0.732 4.216 -8.191) 9.241 6.815 ( 5.403 0.181 -7.912) 9.583 6.928 ( -9.507 -0.106 -10.749) 14.351 7.241 ( -29.780 -10.219 3.760) 31.709 7.421 ( -8.900 -18.481 -0.950) 20.534 7.882 ( -9.942 -6.027 -3.362) 12.102 8.360 ( -4.442 -2.999 0.979) 5.448 8.521 ( -13.881 -4.946 1.708) 14.834 8.739 ( -9.163 -4.682 4.177) 11.105 9.098 ( 7.087 5.362 -2.624) 9.266 9.626 ( -4.132 -3.318 8.133) 9.707 9.706 ( 3.455 -2.174 -3.526) 5.394 10.170 ( -15.869 -4.866 0.637) 16.611 10.406 ( 3.777 -2.962 -1.507) 5.031 10.594 ( -0.096 5.849 -7.634) 9.617 10.796 ( -0.795 4.944 4.506) 6.736 11.050 ( -4.511 -1.788 3.151) 5.786 11.565 ( 6.706 2.797 -2.161) 7.580 11.868 ( 2.610 4.171 1.314) 5.093 12.582 ( 10.522 -1.813 -3.274) 11.168 12.745 ( 11.768 -5.820 -1.514) 13.215 13.005 ( 0.945 7.061 -1.389) 7.258 13.255 ( 5.349 -2.163 -5.683) 8.099 13.507 ( -2.451 4.963 5.322) 7.678 13.955 ( 4.173 3.482 4.734) 7.208 14.331 ( 3.588 2.970 4.710) 6.624 14.777 ( 8.657 8.859 -7.518) 14.490 14.858 ( -1.882 0.464 0.867) 2.124 15.930 ( -1.098 0.869 -6.045) 6.205 16.591 ( 14.616 -7.858 -11.109) 19.969 18.038 ( -8.470 -4.800 1.439) 9.841 18.295 ( -3.436 -0.567 4.759) 5.897 18.797 ( 9.672 4.119 -5.374) 11.807 19.125 ( -0.118 -0.839 -0.962) 1.282 19.222 ( -0.104 1.805 2.517) 3.100 19.942 ( -0.226 -0.271 3.792) 3.808 20.104 ( -4.306 -3.234 -0.198) 5.389 20.264 ( -1.753 -3.715 -1.788) 4.481 20.540 ( 6.239 6.086 15.880) 18.115 21.210 ( 3.038 3.237 -10.371) 11.281 22.023 ( -3.252 -2.751 -3.417) 5.461 22.448 ( 8.548 7.287 7.847) 13.702 28.261 ( -5.130 -2.665 2.029) 6.127 29.247 ( -5.686 -2.656 0.571) 6.302 29.470 ( -6.567 -3.825 2.053) 7.872 29.796 ( 2.767 0.159 -2.507) 3.737 36.087 ( 3.270 11.107 -5.550) 12.840 36.469 ( 19.092 2.915 -0.030) 19.313 36.932 ( 10.623 14.562 -1.688) 18.104 38.438 ( -0.771 -5.214 8.342) 9.867 38.638 ( -6.355 1.703 -8.622) 10.845 40.299 ( -8.526 -9.762 5.826) 14.210 40.882 ( -11.179 -10.217 8.393) 17.315 42.191 ( -12.989 -6.690 -24.962) 28.923 ======================= Grid point 207 (69/85) ======================= q-point: ( 0.44 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 0.000 -27.092 5.616) 27.668 3.234 ( 0.000 -5.304 -2.491) 5.860 3.617 ( -0.000 6.582 17.071) 18.296 4.048 ( -0.000 5.840 -3.093) 6.609 5.519 ( 0.000 -6.437 -3.568) 7.360 5.958 ( -0.000 8.948 -2.032) 9.176 6.278 ( -0.000 9.794 -6.152) 11.566 6.652 ( 0.000 -16.675 2.097) 16.806 6.989 ( -0.000 13.822 10.481) 17.346 7.140 ( -0.000 6.049 4.605) 7.603 7.799 ( -0.000 0.525 0.956) 1.091 8.187 ( -0.000 6.835 -1.362) 6.970 8.516 ( -0.000 3.499 0.859) 3.603 9.001 ( 0.000 -13.561 -6.582) 15.074 9.123 ( 0.000 -19.320 0.593) 19.330 9.374 ( 0.000 -5.825 7.730) 9.679 9.683 ( -0.000 2.353 7.070) 7.451 10.007 ( 0.000 -4.066 3.743) 5.526 10.083 ( -0.000 11.524 -3.981) 12.192 10.521 ( 0.000 -4.213 9.119) 10.045 10.811 ( 0.000 -2.441 1.478) 2.853 10.904 ( 0.000 -6.402 5.564) 8.482 11.416 ( 0.000 -8.143 3.311) 8.791 11.574 ( 0.000 -0.250 -11.446) 11.449 12.118 ( 0.000 -6.745 -3.044) 7.400 12.529 ( 0.000 -0.659 2.206) 2.302 12.786 ( -0.000 4.185 -7.351) 8.459 12.996 ( -0.000 4.163 -20.878) 21.289 13.045 ( -0.000 0.715 7.231) 7.266 13.246 ( 0.000 -4.651 -8.352) 9.560 13.451 ( -0.000 2.739 8.356) 8.793 13.892 ( -0.000 7.738 -3.236) 8.388 14.785 ( 0.000 -7.815 8.185) 11.316 15.221 ( 0.000 -3.195 5.024) 5.954 15.397 ( -0.000 -1.097 7.295) 7.377 15.621 ( -0.000 6.522 6.342) 9.097 17.840 ( -0.000 13.732 6.075) 15.016 18.335 ( -0.000 4.892 4.672) 6.764 18.455 ( -0.000 7.610 -1.380) 7.734 19.180 ( 0.000 -0.563 0.332) 0.654 19.337 ( 0.000 -1.369 -4.821) 5.012 19.976 ( 0.000 -10.292 6.055) 11.941 20.155 ( 0.000 -4.851 -5.738) 7.514 20.396 ( 0.000 -2.161 1.226) 2.485 20.551 ( 0.000 -0.681 -2.962) 3.039 21.409 ( 0.000 -0.175 -7.680) 7.682 21.998 ( -0.000 7.236 6.114) 9.473 22.533 ( 0.000 -7.115 -12.430) 14.322 28.338 ( -0.000 3.671 1.700) 4.045 29.420 ( -0.000 0.338 4.446) 4.459 29.589 ( 0.000 -8.118 0.605) 8.140 29.826 ( 0.000 -0.098 -0.073) 0.122 35.728 ( -0.000 2.142 -1.635) 2.695 36.126 ( -0.000 13.246 -7.680) 15.312 36.556 ( -0.000 6.956 -7.096) 9.937 38.389 ( 0.000 -5.754 3.033) 6.504 38.856 ( -0.000 13.135 -5.914) 14.406 40.226 ( 0.000 -6.031 16.876) 17.921 41.426 ( 0.000 -24.713 3.784) 25.001 42.751 ( -0.000 9.307 -5.456) 10.788 ======================= Grid point 209 (70/85) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -0.208 -26.038 8.384) 27.355 3.131 ( -7.094 -1.544 -2.375) 7.638 3.866 ( -7.222 2.855 2.429) 8.137 4.096 ( -3.252 3.197 21.747) 22.220 5.459 ( -2.931 0.931 2.539) 3.988 5.957 ( -0.517 5.185 -4.899) 7.152 6.176 ( -8.636 4.350 -5.118) 10.941 6.547 ( 3.460 -5.156 -7.614) 9.825 7.103 ( -11.196 8.789 5.776) 15.361 7.399 ( 8.944 2.465 8.506) 12.587 7.796 ( 7.651 -2.729 -4.021) 9.063 8.224 ( 0.982 4.329 -3.299) 5.530 8.495 ( -2.858 -5.419 -2.490) 6.614 8.730 ( 2.889 -13.205 -8.822) 16.141 9.053 ( -3.308 -10.800 4.988) 12.348 9.449 ( -6.389 -7.079 10.838) 14.436 9.683 ( -11.149 -8.910 -1.215) 14.324 9.973 ( -6.910 -6.855 4.485) 10.717 10.148 ( 1.436 7.258 3.081) 8.015 10.523 ( -4.656 2.139 -1.677) 5.391 10.672 ( -1.022 -4.357 -7.908) 9.087 11.009 ( 2.213 -14.161 -3.148) 14.674 11.234 ( -2.411 -11.213 7.637) 13.779 11.644 ( 2.138 13.876 0.502) 14.048 11.963 ( -11.434 1.022 -5.940) 12.925 12.369 ( -12.888 -2.041 -9.233) 15.985 12.632 ( -0.323 1.607 -3.699) 4.046 12.860 ( 12.135 -1.713 -8.480) 14.903 13.109 ( 0.213 9.680 -8.263) 12.729 13.333 ( 9.519 -7.149 13.611) 18.082 13.608 ( 8.915 11.200 -2.825) 14.592 14.011 ( 0.445 2.395 13.166) 13.389 14.778 ( -3.802 -4.298 0.307) 5.747 15.184 ( -8.943 -3.651 1.951) 9.854 15.636 ( 21.896 -5.409 8.159) 23.985 15.833 ( 6.361 5.268 6.946) 10.792 18.022 ( 0.076 9.931 6.851) 12.065 18.412 ( -3.283 3.226 3.226) 5.621 18.511 ( 5.296 7.740 -2.865) 9.807 19.185 ( -0.985 0.500 1.062) 1.532 19.247 ( -0.901 -2.341 -3.642) 4.422 19.979 ( -1.686 -7.641 1.729) 8.013 20.077 ( 0.998 -3.705 2.035) 4.343 20.379 ( -3.303 -0.312 0.217) 3.325 20.508 ( -1.431 -1.782 -0.210) 2.295 21.286 ( 0.672 1.540 -9.660) 9.805 22.110 ( 0.339 6.692 0.277) 6.706 22.341 ( -1.510 -4.285 -4.374) 6.306 28.369 ( -1.643 2.521 0.777) 3.108 29.454 ( -4.282 -3.300 2.611) 6.004 29.554 ( 2.365 -6.303 1.480) 6.892 29.805 ( -1.318 -0.548 -1.424) 2.016 35.776 ( 7.344 3.034 -0.289) 7.951 36.130 ( 1.413 14.987 -6.031) 16.217 36.555 ( 4.564 10.634 -4.128) 12.286 38.391 ( 0.002 -5.273 2.717) 5.932 38.836 ( -1.103 12.529 -7.642) 14.717 40.426 ( -2.966 -11.228 18.216) 21.603 41.261 ( -5.859 -23.184 2.291) 24.022 42.653 ( 1.238 4.559 -15.273) 15.987 ======================= Grid point 210 (71/85) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 1.973 -24.462 8.375) 25.931 2.935 ( -19.768 -2.367 -1.473) 19.964 3.772 ( -2.079 5.497 -3.960) 7.086 4.496 ( -11.899 -0.768 35.533) 37.480 5.551 ( 4.232 0.785 6.600) 7.880 5.834 ( -13.541 -3.542 -1.170) 14.046 6.039 ( -8.968 5.445 -2.658) 10.823 6.466 ( 13.073 3.082 -14.362) 19.664 7.055 ( -7.388 5.576 -4.306) 10.209 7.410 ( -0.648 -17.084 -3.155) 17.385 7.849 ( -3.852 -0.736 -1.402) 4.165 8.075 ( 0.159 -11.871 -4.855) 12.827 8.429 ( 1.694 -6.179 1.239) 6.526 8.670 ( 1.220 4.763 -3.744) 6.180 8.997 ( -10.383 -8.764 6.132) 14.907 9.290 ( -26.048 -12.944 2.523) 29.196 9.535 ( 1.078 -5.096 5.719) 7.735 9.875 ( -7.973 -7.119 1.501) 10.794 10.305 ( 7.615 -6.383 6.624) 11.942 10.370 ( -3.704 -0.560 -12.534) 13.082 10.580 ( -1.159 7.294 -2.707) 7.866 10.842 ( -0.153 -11.015 -2.246) 11.243 11.273 ( -7.748 -1.948 4.414) 9.127 11.670 ( -12.110 3.337 -2.097) 12.735 11.799 ( -0.713 7.191 -1.525) 7.385 12.258 ( 10.368 5.228 -4.535) 12.466 12.599 ( 0.592 -3.474 -1.085) 3.688 12.903 ( 10.239 2.096 -4.977) 11.576 13.074 ( 1.872 4.129 -2.945) 5.406 13.547 ( 4.325 5.183 3.096) 7.426 13.769 ( 8.850 4.921 3.286) 10.646 14.256 ( 2.191 1.009 13.173) 13.392 14.692 ( -1.143 -0.173 -4.798) 4.936 15.061 ( -10.078 -2.266 0.543) 10.344 15.937 ( 7.199 -0.761 3.815) 8.183 16.036 ( 19.848 -4.165 2.119) 20.390 18.162 ( -2.466 1.687 6.013) 6.714 18.396 ( -4.553 0.502 0.783) 4.647 18.579 ( 7.504 6.654 -4.733) 11.090 19.153 ( -1.239 -1.662 -2.074) 2.932 19.230 ( -0.535 0.324 2.321) 2.404 19.940 ( 0.037 0.353 -0.330) 0.485 20.141 ( 1.986 -6.311 4.894) 8.229 20.317 ( -4.438 1.128 -2.492) 5.213 20.527 ( -2.207 -0.217 8.566) 8.848 21.154 ( 1.574 3.405 -11.232) 11.842 22.071 ( -0.986 -0.371 -4.819) 4.932 22.353 ( 0.992 5.066 3.582) 6.283 28.358 ( -2.896 -0.150 0.433) 2.932 29.378 ( -4.936 -5.905 0.476) 7.711 29.576 ( -0.806 -4.108 2.926) 5.108 29.754 ( -0.409 -0.448 -2.799) 2.864 35.926 ( 11.692 5.937 0.423) 13.120 36.170 ( 2.536 13.038 -4.122) 13.907 36.687 ( 9.271 14.859 -1.363) 17.567 38.417 ( 1.247 -5.049 5.013) 7.223 38.760 ( -3.424 8.855 -8.828) 12.964 40.507 ( -7.593 -17.088 11.583) 21.996 41.103 ( -6.898 -16.590 6.781) 19.204 42.370 ( -3.279 -1.470 -20.969) 21.275 ======================= Grid point 211 (72/85) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -19.033 -12.182 -3.722) 22.902 2.761 ( 0.011 -18.149 9.022) 20.268 3.804 ( 0.767 10.360 0.098) 10.389 4.827 ( -11.951 -5.608 27.953) 30.914 5.531 ( -24.990 -5.532 -0.673) 25.604 5.727 ( 10.883 -9.361 1.964) 14.489 5.975 ( -7.558 6.495 1.992) 10.162 6.431 ( 15.114 -1.992 -14.343) 20.931 6.931 ( -3.129 -0.173 -2.917) 4.281 7.195 ( -4.574 -14.393 -2.718) 15.345 7.638 ( -15.024 -7.520 -2.230) 16.948 7.934 ( -10.403 -8.103 3.707) 13.698 8.416 ( -2.677 -5.133 -0.820) 5.847 8.671 ( -2.286 5.109 1.272) 5.740 8.888 ( -13.224 -8.956 7.054) 17.460 9.063 ( -1.351 -4.848 -1.843) 5.360 9.601 ( 1.622 -4.817 0.948) 5.170 9.779 ( -8.928 -8.643 4.959) 13.379 10.143 ( 1.804 -0.188 -8.703) 8.890 10.364 ( -5.051 -6.785 -0.243) 8.462 10.589 ( 2.431 5.558 1.121) 6.169 10.843 ( 4.793 3.245 -1.587) 6.002 11.214 ( -10.074 1.732 5.678) 11.693 11.569 ( -4.614 3.255 1.166) 5.765 11.827 ( 6.156 -3.394 -2.507) 7.463 12.409 ( 9.316 7.758 -2.685) 12.417 12.567 ( 3.814 -9.107 0.072) 9.874 12.965 ( 6.965 6.470 -2.983) 9.963 13.123 ( 4.810 3.992 -1.249) 6.375 13.632 ( -0.114 5.211 2.011) 5.586 13.948 ( 7.879 7.204 0.698) 10.699 14.433 ( -1.047 0.845 6.300) 6.442 14.633 ( 4.488 5.466 -6.066) 9.318 14.959 ( -6.964 -2.294 2.150) 7.640 15.930 ( -8.700 3.135 -2.322) 9.534 16.203 ( 15.405 -9.649 -5.497) 18.990 18.115 ( -7.314 -7.723 0.946) 10.679 18.403 ( -3.033 -0.391 3.935) 4.984 18.642 ( 7.957 5.589 -4.293) 10.630 19.107 ( -0.904 -2.030 -0.607) 2.304 19.262 ( 0.413 1.679 0.980) 1.987 19.976 ( 1.858 2.440 1.234) 3.306 20.129 ( -3.744 -3.481 -0.246) 5.119 20.242 ( -1.685 -4.017 -0.126) 4.358 20.711 ( 3.641 3.689 8.998) 10.384 21.054 ( 3.333 5.619 -7.585) 10.011 21.999 ( -1.657 -2.165 -1.187) 2.974 22.491 ( 6.479 8.379 2.558) 10.896 28.316 ( -3.500 -3.462 0.843) 4.994 29.294 ( -4.123 -3.744 0.347) 5.581 29.543 ( -5.029 -4.031 1.368) 6.589 29.728 ( 2.174 -0.278 -1.647) 2.742 36.085 ( 2.615 14.875 -2.906) 15.380 36.293 ( 14.362 5.249 1.025) 15.325 36.902 ( 9.668 16.128 -0.614) 18.814 38.517 ( 2.443 -3.578 7.130) 8.343 38.598 ( -6.185 0.262 -7.264) 9.544 40.378 ( -9.431 -14.501 1.648) 17.376 41.042 ( -8.498 -12.339 5.571) 15.984 41.995 ( -8.156 -7.002 -10.416) 14.969 ======================= Grid point 218 (73/85) ======================= q-point: (-0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 0.000 -24.964 6.376) 25.765 3.205 ( -0.000 3.445 4.373) 5.567 3.782 ( 0.000 1.483 -13.431) 13.513 4.634 ( -0.000 0.016 37.255) 37.255 5.581 ( -0.000 6.131 6.791) 9.149 5.800 ( 0.000 -1.804 -15.921) 16.023 6.195 ( -0.000 15.155 -4.516) 15.813 6.364 ( 0.000 -5.883 -11.744) 13.135 7.257 ( 0.000 -1.476 -3.906) 4.175 7.415 ( 0.000 -10.707 1.751) 10.849 7.731 ( -0.000 10.597 5.986) 12.170 8.101 ( 0.000 -21.508 -10.000) 23.719 8.380 ( 0.000 -1.651 1.505) 2.233 8.641 ( -0.000 1.272 -1.896) 2.283 9.118 ( 0.000 -9.316 7.500) 11.959 9.502 ( 0.000 -9.892 -3.789) 10.592 9.672 ( 0.000 -12.982 4.316) 13.681 9.996 ( 0.000 -11.006 0.679) 11.027 10.213 ( 0.000 -1.604 4.132) 4.433 10.453 ( -0.000 3.144 -13.622) 13.981 10.678 ( -0.000 6.385 2.570) 6.883 10.767 ( 0.000 -17.761 -5.218) 18.512 11.297 ( 0.000 -7.951 7.469) 10.909 11.671 ( -0.000 1.408 -4.248) 4.475 11.943 ( -0.000 5.915 -6.232) 8.592 12.316 ( 0.000 -3.528 -9.059) 9.722 12.543 ( -0.000 6.759 -1.517) 6.928 12.782 ( -0.000 6.990 0.056) 6.990 13.085 ( -0.000 10.289 -5.601) 11.715 13.407 ( -0.000 -1.068 7.256) 7.334 13.654 ( -0.000 13.028 5.024) 13.963 14.233 ( -0.000 0.635 14.124) 14.138 14.738 ( 0.000 -10.697 -2.988) 11.106 15.173 ( 0.000 -8.278 -3.294) 8.909 15.596 ( 0.000 -4.719 9.234) 10.370 15.988 ( -0.000 7.698 9.638) 12.335 18.188 ( -0.000 5.119 7.132) 8.779 18.452 ( -0.000 4.876 -3.537) 6.024 18.489 ( -0.000 3.221 -1.373) 3.501 19.166 ( 0.000 -1.845 -2.339) 2.979 19.240 ( -0.000 -0.348 2.015) 2.044 19.941 ( 0.000 0.232 -2.421) 2.432 20.106 ( 0.000 -6.294 5.539) 8.384 20.385 ( 0.000 0.254 -2.236) 2.250 20.560 ( -0.000 -0.912 7.185) 7.243 21.136 ( -0.000 3.274 -11.476) 11.934 22.081 ( -0.000 1.282 -5.228) 5.383 22.348 ( -0.000 4.123 2.350) 4.746 28.393 ( -0.000 1.276 -0.622) 1.420 29.455 ( 0.000 -9.515 -0.766) 9.546 29.550 ( 0.000 -1.896 4.331) 4.728 29.778 ( 0.000 -1.189 -2.403) 2.681 35.758 ( -0.000 3.286 1.138) 3.477 36.172 ( -0.000 19.168 -3.676) 19.518 36.558 ( -0.000 12.599 -1.977) 12.754 38.401 ( 0.000 -4.691 3.547) 5.881 38.800 ( -0.000 11.350 -8.973) 14.469 40.605 ( 0.000 -19.418 14.829) 24.433 41.189 ( 0.000 -20.034 5.017) 20.652 42.400 ( 0.000 0.703 -19.109) 19.122 ======================= Grid point 220 (74/85) ======================= q-point: (-0.33 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 2.911 -23.866 4.464) 24.454 3.157 ( -20.225 -0.934 -2.042) 20.349 3.667 ( 9.779 3.862 -5.691) 11.955 5.104 ( -9.024 -2.413 22.398) 24.268 5.469 ( 4.827 -10.427 -10.379) 15.484 5.784 ( 6.408 4.090 0.076) 7.603 6.088 ( -4.706 0.919 -12.913) 13.774 6.282 ( 0.854 10.693 0.849) 10.761 7.037 ( -4.957 -5.102 -9.841) 12.143 7.351 ( -9.090 -11.317 4.978) 15.346 7.771 ( -1.098 -19.939 -3.952) 20.357 7.977 ( 6.975 -2.714 3.431) 8.233 8.429 ( -1.566 -3.261 4.518) 5.787 8.628 ( 3.264 4.349 -3.350) 6.387 9.085 ( -3.893 -12.910 0.414) 13.490 9.248 ( -5.151 -16.178 -8.292) 18.895 9.660 ( -3.591 -7.122 3.862) 8.862 9.912 ( 0.604 -9.861 -0.290) 9.884 10.174 ( -8.503 -7.163 -2.620) 11.422 10.336 ( 2.037 1.684 1.224) 2.912 10.607 ( 3.823 0.555 -5.524) 6.741 10.783 ( -3.222 -2.528 5.682) 7.004 11.306 ( 0.487 -4.972 -2.628) 5.645 11.578 ( 5.863 -6.275 -6.029) 10.493 11.883 ( -4.987 6.003 -3.882) 8.717 12.259 ( -2.339 12.631 2.207) 13.034 12.613 ( -1.128 5.764 1.242) 6.003 12.841 ( 1.350 5.582 2.010) 6.085 13.076 ( -1.308 6.573 -1.220) 6.812 13.536 ( 6.900 7.786 0.107) 10.404 13.845 ( -0.293 8.382 6.976) 10.909 14.428 ( 0.186 0.617 9.773) 9.794 14.584 ( 1.454 -7.770 -6.595) 10.294 15.053 ( 0.337 -7.088 -4.682) 8.501 15.771 ( 11.604 -6.674 7.271) 15.233 16.164 ( -5.919 7.964 9.139) 13.490 18.233 ( -2.255 -7.660 0.236) 7.988 18.451 ( -0.829 1.974 -1.883) 2.851 18.503 ( 2.669 9.919 0.116) 10.273 19.129 ( -0.516 -1.693 -0.577) 1.862 19.259 ( -0.108 -0.494 0.684) 0.850 19.940 ( 0.913 4.331 -0.519) 4.457 20.137 ( 1.175 -6.633 3.155) 7.438 20.323 ( -3.152 -0.488 -2.874) 4.294 20.694 ( -0.643 0.697 9.002) 9.051 20.998 ( 1.293 5.889 -9.943) 11.629 22.022 ( -0.419 -0.707 -2.000) 2.162 22.420 ( 0.828 8.205 0.325) 8.253 28.370 ( -1.070 -1.524 -1.285) 2.262 29.367 ( -1.742 -8.201 -0.614) 8.406 29.588 ( 0.488 -5.174 2.136) 5.619 29.730 ( -1.469 0.687 -1.491) 2.202 35.863 ( 7.967 5.068 2.719) 9.826 36.244 ( -3.041 19.092 -2.361) 19.476 36.681 ( 7.028 15.334 -0.023) 16.868 38.448 ( 1.700 -4.546 5.951) 7.679 38.710 ( -2.332 7.115 -9.558) 12.142 40.574 ( -5.318 -22.635 4.975) 23.777 41.166 ( -2.227 -15.922 7.838) 17.886 42.109 ( -2.049 -4.365 -13.366) 14.209 ======================= Grid point 229 (75/85) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 0.000 -23.768 3.776) 24.067 3.154 ( 0.000 -6.736 -16.027) 17.385 3.582 ( -0.000 3.184 3.484) 4.720 4.828 ( 0.000 -12.372 -38.435) 40.377 5.415 ( 0.000 -26.653 1.140) 26.678 5.785 ( 0.000 -2.334 10.092) 10.358 5.960 ( -0.000 11.140 -13.808) 17.741 6.490 ( -0.000 17.521 13.672) 22.224 6.922 ( 0.000 -1.801 -3.219) 3.689 7.475 ( 0.000 -20.436 6.239) 21.367 7.540 ( 0.000 -25.479 1.110) 25.503 7.922 ( 0.000 -10.036 0.224) 10.039 8.494 ( 0.000 -8.493 -3.078) 9.034 8.541 ( 0.000 -2.712 2.127) 3.446 8.941 ( 0.000 -17.074 -7.208) 18.533 9.068 ( 0.000 -2.867 -5.462) 6.169 9.673 ( 0.000 -1.783 1.906) 2.610 9.787 ( 0.000 -6.835 -5.899) 9.029 10.244 ( 0.000 -12.443 4.581) 13.260 10.372 ( -0.000 0.957 5.995) 6.071 10.482 ( -0.000 1.078 -3.236) 3.411 10.834 ( 0.000 -5.816 -0.552) 5.843 11.176 ( 0.000 -1.603 -9.190) 9.329 11.484 ( -0.000 2.368 1.618) 2.868 11.872 ( -0.000 4.291 -3.781) 5.719 12.445 ( -0.000 13.812 6.078) 15.091 12.747 ( -0.000 13.704 3.372) 14.113 12.878 ( -0.000 0.606 1.606) 1.716 13.168 ( -0.000 8.445 3.827) 9.272 13.522 ( -0.000 3.822 -2.014) 4.320 14.007 ( -0.000 5.764 1.329) 5.915 14.374 ( 0.000 -6.577 -6.493) 9.242 14.580 ( -0.000 5.641 7.185) 9.135 14.917 ( 0.000 -4.309 -5.145) 6.711 15.807 ( 0.000 -3.563 8.877) 9.566 16.434 ( -0.000 7.883 12.134) 14.470 18.148 ( 0.000 -9.922 -3.271) 10.447 18.379 ( 0.000 -0.768 -5.389) 5.444 18.641 ( -0.000 11.619 5.675) 12.931 19.124 ( 0.000 -0.756 0.370) 0.841 19.247 ( 0.000 -0.761 -1.380) 1.576 19.959 ( -0.000 4.284 -0.843) 4.366 20.123 ( 0.000 -6.605 1.911) 6.876 20.298 ( 0.000 -1.992 -1.469) 2.475 20.706 ( -0.000 4.231 -10.767) 11.569 21.013 ( -0.000 5.712 8.176) 9.973 22.010 ( 0.000 -1.773 1.120) 2.097 22.453 ( -0.000 10.517 -3.810) 11.186 28.328 ( 0.000 -3.716 -2.309) 4.374 29.306 ( 0.000 -8.083 -0.816) 8.124 29.549 ( 0.000 -7.420 -1.018) 7.490 29.753 ( -0.000 2.392 1.556) 2.853 35.909 ( -0.000 6.283 4.574) 7.772 36.386 ( -0.000 20.404 -0.839) 20.421 36.747 ( -0.000 15.718 1.133) 15.759 38.503 ( 0.000 -5.113 6.793) 8.503 38.618 ( -0.000 3.624 -8.983) 9.686 40.488 ( 0.000 -19.911 -0.646) 19.922 41.115 ( 0.000 -16.107 -3.183) 16.418 42.014 ( 0.000 -10.011 7.443) 12.474 ======================= Grid point 282 (76/85) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -0.000 -0.000 6.800) 6.800 3.281 ( -0.000 -0.000 2.942) 2.942 3.457 ( 0.000 0.000 -7.651) 7.651 3.944 ( -0.000 -0.000 3.990) 3.990 5.749 ( -0.000 -0.000 17.449) 17.449 5.930 ( 0.000 0.000 -9.772) 9.772 6.024 ( 0.000 0.000 -14.156) 14.156 6.599 ( -0.000 -0.000 15.689) 15.689 7.009 ( 0.000 0.000 -4.581) 4.581 7.214 ( 0.000 0.000 -4.692) 4.692 7.472 ( -0.000 -0.000 7.594) 7.594 8.123 ( -0.000 -0.000 7.758) 7.758 8.422 ( 0.000 0.000 -0.243) 0.243 9.127 ( 0.000 0.000 -0.612) 0.612 9.185 ( -0.000 -0.000 14.706) 14.706 9.226 ( -0.000 -0.000 12.301) 12.301 9.871 ( -0.000 -0.000 0.264) 0.264 9.889 ( -0.000 -0.000 0.154) 0.154 10.167 ( 0.000 0.000 -19.246) 19.246 10.281 ( -0.000 -0.000 30.472) 30.472 10.935 ( -0.000 -0.000 9.800) 9.800 10.943 ( -0.000 -0.000 9.928) 9.928 10.989 ( 0.000 0.000 -4.764) 4.764 12.224 ( 0.000 0.000 -15.741) 15.741 12.377 ( -0.000 -0.000 3.614) 3.614 12.413 ( -0.000 -0.000 5.382) 5.382 12.694 ( -0.000 -0.000 0.532) 0.532 12.969 ( 0.000 0.000 -10.876) 10.876 13.108 ( -0.000 -0.000 18.023) 18.023 13.236 ( 0.000 0.000 -13.762) 13.762 13.704 ( 0.000 0.000 -15.012) 15.012 13.893 ( 0.000 0.000 -20.402) 20.402 14.760 ( -0.000 -0.000 10.708) 10.708 15.052 ( -0.000 -0.000 18.311) 18.311 15.363 ( -0.000 -0.000 6.513) 6.513 15.420 ( 0.000 0.000 -10.994) 10.994 17.493 ( -0.000 -0.000 8.058) 8.058 18.220 ( -0.000 -0.000 1.369) 1.369 18.358 ( -0.000 -0.000 0.371) 0.371 19.205 ( 0.000 0.000 -0.936) 0.936 19.416 ( 0.000 0.000 -3.128) 3.128 20.042 ( -0.000 -0.000 3.266) 3.266 20.351 ( 0.000 0.000 -5.439) 5.439 20.424 ( -0.000 -0.000 2.283) 2.283 20.601 ( 0.000 0.000 -4.394) 4.394 21.538 ( 0.000 0.000 -7.600) 7.600 21.782 ( -0.000 -0.000 8.906) 8.906 22.884 ( 0.000 0.000 -17.410) 17.410 28.248 ( -0.000 -0.000 2.894) 2.894 29.339 ( -0.000 -0.000 4.586) 4.586 29.667 ( -0.000 -0.000 4.069) 4.069 29.840 ( 0.000 0.000 -1.029) 1.029 35.727 ( 0.000 0.000 -4.511) 4.511 36.055 ( 0.000 0.000 -7.616) 7.616 36.599 ( 0.000 0.000 -10.686) 10.686 38.426 ( -0.000 -0.000 5.984) 5.984 38.734 ( 0.000 0.000 -3.830) 3.830 40.059 ( -0.000 -0.000 13.161) 13.161 41.760 ( -0.000 -0.000 8.580) 8.580 42.527 ( -0.000 -0.000 5.499) 5.499 ======================= Grid point 285 (77/85) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -8.075 -4.662 2.262) 9.595 3.299 ( -3.981 -2.298 -7.021) 8.392 3.526 ( 0.712 0.411 23.292) 23.307 3.949 ( -1.412 -0.815 -2.131) 2.683 5.611 ( -13.042 -7.530 -5.010) 15.871 5.871 ( 4.278 2.470 -5.500) 7.393 6.096 ( 11.879 6.858 -3.553) 14.169 6.793 ( -0.389 -0.225 6.239) 6.255 6.933 ( -17.692 -10.214 -1.051) 20.456 7.103 ( 6.268 3.619 12.238) 14.219 7.726 ( 12.994 7.502 3.017) 15.305 8.178 ( -2.575 -1.487 2.297) 3.757 8.433 ( 3.358 1.939 -2.322) 4.519 9.092 ( -4.020 -2.321 -0.838) 4.716 9.355 ( -4.993 -2.883 11.942) 13.261 9.488 ( 4.505 2.601 9.558) 10.882 9.670 ( -1.861 -1.074 -14.248) 14.409 9.876 ( -2.831 -1.635 2.704) 4.243 10.055 ( -3.576 -2.065 3.682) 5.533 10.580 ( -5.700 -3.291 10.589) 12.468 10.887 ( -3.079 -1.777 -4.161) 5.473 11.006 ( -0.087 -0.050 13.375) 13.376 11.246 ( 10.484 6.053 5.595) 13.336 11.830 ( -20.969 -12.106 -10.640) 26.448 12.161 ( -15.071 -8.701 -8.852) 19.525 12.546 ( 3.603 2.080 0.178) 4.164 12.643 ( -6.746 -3.895 -4.400) 8.947 12.939 ( 9.088 5.247 -5.095) 11.665 13.035 ( 3.285 1.897 -9.931) 10.631 13.382 ( 5.877 3.393 2.514) 7.237 13.523 ( 5.116 2.954 -4.757) 7.585 13.755 ( 1.329 0.767 3.025) 3.392 14.844 ( -8.801 -5.081 5.045) 11.346 15.222 ( -8.643 -4.990 4.587) 10.983 15.408 ( 14.363 8.293 10.124) 19.431 15.578 ( 14.452 8.344 2.008) 16.808 17.665 ( 4.471 2.581 8.612) 10.041 18.280 ( -0.525 -0.303 6.075) 6.105 18.384 ( 4.579 2.644 -1.000) 5.381 19.186 ( -0.942 -0.544 -0.387) 1.154 19.350 ( -0.848 -0.489 -4.434) 4.541 20.085 ( -3.410 -1.969 5.971) 7.152 20.214 ( -3.348 -1.933 -7.512) 8.449 20.428 ( -3.022 -1.745 1.227) 3.699 20.555 ( 0.681 0.393 -3.015) 3.115 21.411 ( 0.324 0.187 -9.058) 9.066 21.922 ( 1.774 1.024 7.062) 7.354 22.610 ( -3.099 -1.789 -14.249) 14.691 28.293 ( 0.427 0.246 2.320) 2.372 29.412 ( -0.068 -0.039 4.649) 4.650 29.691 ( -2.872 -1.658 1.983) 3.864 29.820 ( -0.792 -0.457 -0.540) 1.062 35.707 ( 4.993 2.883 -2.917) 6.461 35.979 ( 4.661 2.691 -7.317) 9.083 36.478 ( 3.512 2.028 -8.558) 9.470 38.463 ( -2.056 -1.187 2.050) 3.137 38.702 ( 3.390 1.957 -4.553) 6.004 40.291 ( -2.642 -1.525 19.035) 19.278 41.731 ( -13.787 -7.960 3.634) 16.330 42.613 ( 7.987 4.612 -4.278) 10.167 ======================= Grid point 286 (78/85) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -9.581 -5.531 5.998) 12.584 3.109 ( -7.560 -4.365 -5.567) 10.354 3.759 ( -7.311 -4.221 1.349) 8.549 4.019 ( -2.839 -1.639 27.596) 27.790 5.438 ( -2.977 -1.719 1.066) 3.598 5.870 ( 4.187 2.417 -3.993) 6.270 6.072 ( -5.589 -3.227 -5.406) 8.418 6.636 ( -2.122 -1.225 -10.983) 11.253 6.907 ( -3.835 -2.214 8.673) 9.739 7.469 ( 8.299 4.791 14.932) 17.743 7.899 ( 5.684 3.281 -1.737) 6.789 8.156 ( 3.239 1.870 -4.301) 5.700 8.444 ( -0.708 -0.409 1.492) 1.702 8.937 ( -5.338 -3.082 -10.490) 12.167 9.243 ( -9.400 -5.427 -5.787) 12.300 9.454 ( -13.613 -7.859 13.330) 20.610 9.699 ( -12.469 -7.199 2.756) 14.660 9.983 ( -2.206 -1.274 2.659) 3.682 10.009 ( 4.014 2.317 8.231) 9.446 10.530 ( -4.642 -2.680 0.157) 5.362 10.761 ( -4.213 -2.432 -6.371) 8.016 11.210 ( -2.506 -1.447 6.978) 7.554 11.347 ( -25.456 -14.697 -0.524) 29.399 11.452 ( 11.334 6.544 1.131) 13.137 11.754 ( -11.876 -6.856 -10.980) 17.567 12.377 ( -3.490 -2.015 -8.670) 9.561 12.627 ( 0.624 0.361 2.603) 2.701 12.929 ( 5.740 3.314 -6.874) 9.549 13.082 ( 10.604 6.122 -8.044) 14.650 13.356 ( 7.235 4.177 -8.284) 11.765 13.718 ( 5.614 3.241 9.577) 11.564 13.999 ( 3.626 2.094 18.094) 18.573 14.708 ( -4.859 -2.805 -4.727) 7.337 15.133 ( -11.555 -6.672 3.846) 13.886 15.777 ( 8.224 4.748 6.942) 11.763 15.917 ( 26.382 15.232 1.908) 30.523 17.878 ( 5.662 3.269 8.473) 10.702 18.356 ( -1.321 -0.763 5.410) 5.621 18.472 ( 6.599 3.810 -0.378) 7.629 19.174 ( -1.082 -0.625 1.211) 1.740 19.263 ( -1.768 -1.021 -3.848) 4.356 20.035 ( -3.805 -2.197 -5.490) 7.032 20.150 ( -2.032 -1.173 6.851) 7.241 20.369 ( -5.579 -3.221 0.208) 6.445 20.518 ( -1.460 -0.843 -0.900) 1.911 21.273 ( 1.188 0.686 -10.602) 10.690 22.038 ( 2.803 1.618 2.606) 4.155 22.383 ( -3.686 -2.128 -7.179) 8.346 28.326 ( -0.367 -0.212 1.792) 1.841 29.456 ( -3.304 -1.907 3.519) 5.190 29.657 ( -3.629 -2.095 1.347) 4.402 29.793 ( -1.033 -0.596 -1.344) 1.797 35.787 ( 8.685 5.014 -1.912) 10.209 35.986 ( 9.468 5.466 -5.817) 12.384 36.456 ( 7.683 4.436 -5.581) 10.481 38.457 ( -1.466 -0.846 1.650) 2.364 38.682 ( 3.201 1.848 -5.352) 6.504 40.527 ( -7.135 -4.119 20.897) 22.462 41.497 ( -18.108 -10.455 0.798) 20.925 42.592 ( 6.041 3.488 -14.405) 16.005 ======================= Grid point 287 (79/85) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -17.357 -10.021 -4.830) 20.616 3.035 ( -7.163 -4.136 11.853) 14.453 3.630 ( -1.986 -1.147 -4.323) 4.894 4.426 ( -11.127 -6.424 37.478) 39.619 5.578 ( 8.379 4.838 10.826) 14.520 5.768 ( -18.372 -10.607 -0.284) 21.216 5.908 ( -0.219 -0.126 -3.601) 3.610 6.510 ( 11.835 6.833 -16.633) 21.527 6.931 ( -2.443 -1.410 1.163) 3.051 7.679 ( -3.797 -2.192 5.571) 7.090 7.824 ( -7.517 -4.340 -6.291) 10.719 8.119 ( -2.506 -1.447 -5.172) 5.927 8.484 ( 1.099 0.634 3.210) 3.452 8.681 ( -2.783 -1.606 -11.243) 11.693 9.083 ( -11.645 -6.723 4.708) 14.247 9.204 ( -33.383 -19.274 9.383) 39.673 9.617 ( 1.071 0.618 3.416) 3.633 9.867 ( -10.478 -6.049 2.919) 12.446 10.305 ( 8.022 4.632 6.021) 11.049 10.477 ( -5.095 -2.941 0.531) 5.907 10.542 ( -2.989 -1.726 -12.783) 13.241 10.989 ( -16.476 -9.512 -0.949) 19.048 11.149 ( -7.830 -4.521 3.439) 9.673 11.523 ( -5.528 -3.192 0.003) 6.384 11.707 ( 10.419 6.016 2.949) 12.388 12.331 ( 11.183 6.457 -6.498) 14.456 12.669 ( 3.385 1.954 -0.789) 3.987 12.905 ( 1.343 0.776 -3.610) 3.929 13.111 ( 10.838 6.257 -8.669) 15.224 13.418 ( 8.855 5.112 -1.890) 10.398 13.916 ( 2.223 1.283 7.084) 7.534 14.284 ( -0.966 -0.558 13.834) 13.879 14.605 ( 1.794 1.036 -4.920) 5.339 14.988 ( -10.842 -6.260 1.919) 12.665 15.897 ( 2.894 1.671 -2.195) 3.998 16.317 ( 21.595 12.468 -3.148) 25.134 18.087 ( 4.064 2.346 7.647) 8.972 18.379 ( -5.898 -3.405 4.218) 8.011 18.557 ( 9.643 5.567 -4.657) 12.069 19.161 ( -2.117 -1.222 -1.006) 2.643 19.224 ( -0.420 -0.243 2.248) 2.299 19.935 ( 0.322 0.186 -2.921) 2.944 20.227 ( -2.902 -1.675 1.859) 3.832 20.286 ( -2.591 -1.496 2.019) 3.610 20.517 ( -2.857 -1.649 8.066) 8.715 21.128 ( 2.412 1.393 -11.907) 12.228 22.058 ( 0.975 0.563 -3.692) 3.860 22.322 ( 0.671 0.387 2.727) 2.834 28.336 ( -1.668 -0.963 1.743) 2.598 29.406 ( -7.067 -4.080 1.477) 8.293 29.622 ( -5.273 -3.044 2.272) 6.499 29.757 ( 1.114 0.643 -2.663) 2.957 35.875 ( 7.029 4.058 -3.601) 8.880 36.125 ( 15.502 8.950 -1.988) 18.010 36.556 ( 12.302 7.103 -2.245) 14.381 38.487 ( 0.159 0.092 4.319) 4.323 38.630 ( 0.996 0.575 -6.183) 6.289 40.646 ( -14.140 -8.164 14.159) 21.611 41.250 ( -15.474 -8.934 4.151) 18.343 42.353 ( -1.760 -1.016 -20.354) 20.455 ======================= Grid point 294 (80/85) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 0.000 -12.393 4.037) 13.034 3.198 ( 0.000 -1.214 -5.939) 6.062 3.865 ( 0.000 -0.053 -3.063) 3.063 4.039 ( -0.000 3.359 31.770) 31.947 5.543 ( 0.000 -6.158 -4.939) 7.894 5.801 ( -0.000 6.504 -3.769) 7.517 5.992 ( -0.000 9.379 -9.475) 13.332 6.692 ( 0.000 0.633 -16.352) 16.365 7.154 ( 0.000 -4.708 18.174) 18.774 7.269 ( 0.000 -4.355 14.283) 14.932 7.759 ( -0.000 8.172 2.578) 8.569 8.164 ( 0.000 -6.463 -1.724) 6.689 8.436 ( -0.000 8.456 -0.367) 8.464 9.010 ( 0.000 -7.526 -12.519) 14.607 9.319 ( 0.000 -11.278 -3.869) 11.923 9.559 ( -0.000 -0.701 7.630) 7.662 9.769 ( -0.000 8.726 13.769) 16.302 9.957 ( -0.000 -0.462 3.909) 3.936 10.142 ( 0.000 -4.014 5.885) 7.123 10.680 ( 0.000 -6.850 -0.056) 6.850 10.751 ( 0.000 -5.040 -6.588) 8.294 11.155 ( -0.000 7.019 4.704) 8.450 11.330 ( -0.000 1.582 2.035) 2.577 11.670 ( 0.000 -20.780 -5.289) 21.442 12.176 ( -0.000 1.621 -8.039) 8.201 12.364 ( 0.000 -1.589 -10.448) 10.568 12.706 ( 0.000 -3.007 -1.747) 3.477 12.778 ( -0.000 2.832 -9.006) 9.440 12.868 ( -0.000 3.691 -6.149) 7.172 13.361 ( -0.000 3.309 -6.226) 7.050 13.496 ( 0.000 -4.630 13.986) 14.733 13.944 ( -0.000 3.996 15.403) 15.912 14.902 ( 0.000 -5.622 -5.348) 7.760 15.327 ( -0.000 9.654 7.412) 12.172 15.432 ( 0.000 -3.867 2.883) 4.824 15.644 ( -0.000 7.632 8.647) 11.533 17.813 ( -0.000 6.643 8.935) 11.134 18.336 ( -0.000 3.691 -3.055) 4.791 18.428 ( -0.000 -0.138 10.310) 10.311 19.186 ( -0.000 0.103 0.070) 0.125 19.285 ( 0.000 -0.846 -3.999) 4.088 20.079 ( 0.000 -1.822 -9.858) 10.025 20.187 ( 0.000 -4.594 7.539) 8.828 20.443 ( 0.000 -2.382 0.109) 2.385 20.531 ( 0.000 -0.273 0.235) 0.360 21.259 ( 0.000 0.699 -10.776) 10.799 22.005 ( -0.000 2.648 2.747) 3.816 22.429 ( 0.000 -2.445 -8.761) 9.096 28.328 ( -0.000 1.456 1.569) 2.140 29.488 ( -0.000 0.052 4.898) 4.898 29.698 ( 0.000 -5.705 0.389) 5.718 29.818 ( -0.000 0.335 -0.694) 0.771 35.663 ( -0.000 3.623 -1.280) 3.843 35.879 ( -0.000 6.459 -6.486) 9.153 36.365 ( -0.000 4.886 -6.260) 7.941 38.470 ( 0.000 -2.627 0.306) 2.645 38.645 ( -0.000 5.812 -4.708) 7.480 40.614 ( 0.000 -4.851 23.145) 23.648 41.752 ( 0.000 -17.395 0.291) 17.398 42.483 ( -0.000 8.882 -12.613) 15.426 ======================= Grid point 296 (81/85) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -1.286 -11.118 -0.414) 11.200 3.146 ( -5.071 -4.894 6.047) 9.286 3.719 ( -3.280 2.050 -10.541) 11.228 4.609 ( -3.546 -0.607 39.508) 39.672 5.489 ( -1.103 1.053 3.549) 3.862 5.798 ( 3.387 3.919 -5.881) 7.837 5.933 ( 4.253 9.444 -9.529) 14.074 6.393 ( 0.656 1.973 -22.206) 22.303 7.208 ( -18.096 -6.514 13.328) 23.399 7.605 ( 10.803 -2.378 15.232) 18.825 7.777 ( 4.649 -5.420 -5.612) 9.082 8.121 ( -2.619 5.171 -2.119) 6.172 8.473 ( 0.661 2.830 -0.772) 3.007 8.705 ( 0.394 -7.217 -14.199) 15.933 9.280 ( -3.951 -7.806 6.691) 11.014 9.617 ( -0.896 -1.785 1.061) 2.262 9.884 ( -13.271 -13.578 5.943) 19.895 10.082 ( 2.727 7.839 8.111) 11.605 10.154 ( -5.880 -3.513 7.165) 9.913 10.515 ( -2.383 -7.740 -4.330) 9.183 10.630 ( -4.283 -6.137 -7.588) 10.657 11.165 ( -0.766 -15.559 -9.555) 18.275 11.338 ( 9.990 12.493 1.306) 16.049 11.563 ( -8.117 -4.990 5.146) 10.829 11.897 ( -22.451 1.092 -2.196) 22.584 12.207 ( 1.077 -4.770 -11.054) 12.087 12.637 ( 1.672 -0.530 -0.029) 1.754 12.776 ( 10.535 -2.265 -6.692) 12.684 12.891 ( 3.332 8.292 -1.503) 9.062 13.264 ( 0.069 8.587 -6.218) 10.602 13.780 ( 9.012 -9.735 14.247) 19.467 14.221 ( 2.996 2.614 14.511) 15.046 14.722 ( -7.808 4.552 -7.137) 11.516 15.287 ( -11.571 -6.151 1.867) 13.237 15.707 ( 21.224 6.081 4.123) 22.460 15.826 ( 4.803 7.449 3.416) 9.498 18.008 ( 1.692 7.866 8.398) 11.630 18.333 ( 4.292 5.721 -4.528) 8.465 18.547 ( -3.139 -4.834 7.632) 9.564 19.191 ( -0.164 -0.556 -0.313) 0.659 19.233 ( -0.523 0.345 -0.377) 0.732 19.928 ( 0.222 0.498 -8.077) 8.095 20.253 ( -0.652 -5.412 6.138) 8.209 20.395 ( -3.514 -2.792 -1.373) 4.693 20.567 ( -0.974 -0.545 6.163) 6.263 21.094 ( 0.604 1.336 -12.197) 12.285 22.027 ( 0.910 2.544 -2.744) 3.851 22.338 ( -0.796 -1.147 -0.772) 1.596 28.355 ( -0.242 1.298 0.863) 1.578 29.537 ( -3.383 -2.244 3.452) 5.329 29.660 ( 0.923 -5.349 0.788) 5.485 29.786 ( -2.186 -0.651 -1.889) 2.962 35.718 ( 5.516 4.642 -0.028) 7.209 35.873 ( 4.229 9.799 -4.651) 11.642 36.359 ( 4.262 8.184 -3.471) 9.859 38.467 ( 0.764 -1.714 1.382) 2.330 38.616 ( 0.253 5.732 -4.948) 7.576 40.890 ( -5.490 -10.422 22.002) 24.957 41.557 ( -8.417 -17.343 -0.966) 19.302 42.325 ( 2.409 6.021 -17.444) 18.611 ======================= Grid point 297 (82/85) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -13.599 -7.470 -2.565) 15.726 3.151 ( -0.650 -16.482 7.841) 18.264 3.591 ( -0.445 8.380 -4.960) 9.748 5.061 ( -9.251 -4.567 30.162) 31.877 5.669 ( 5.011 2.604 4.195) 7.035 5.692 ( 3.091 -1.006 -10.331) 10.830 5.898 ( -0.552 9.225 -4.127) 10.122 6.194 ( 8.967 8.056 -11.391) 16.585 7.095 ( -15.957 -9.461 7.285) 19.930 7.583 ( 0.861 -16.069 -6.569) 17.381 7.893 ( -4.480 -2.419 6.028) 7.890 8.042 ( 2.029 5.353 -6.879) 8.949 8.495 ( -0.574 1.877 0.353) 1.995 8.562 ( 2.540 -1.285 -3.722) 4.686 9.253 ( -10.442 -10.989 7.477) 16.903 9.452 ( -12.754 -11.056 -5.471) 17.744 9.742 ( -10.407 -8.160 8.878) 15.928 10.021 ( -12.887 -5.840 5.633) 15.229 10.282 ( 1.519 -9.070 -6.781) 11.426 10.419 ( -1.867 5.658 -2.419) 6.430 10.469 ( 4.507 -4.644 2.180) 6.829 10.936 ( -4.340 -7.467 -5.584) 10.284 11.373 ( -9.864 -5.287 3.402) 11.697 11.657 ( -11.837 3.936 0.982) 12.513 11.697 ( 5.577 5.551 4.987) 9.316 12.129 ( 10.321 -0.690 -4.600) 11.320 12.619 ( -0.317 -1.622 -1.682) 2.358 12.801 ( 7.408 2.097 -4.443) 8.890 12.971 ( 4.804 5.839 -0.452) 7.575 13.354 ( 9.248 14.177 -1.142) 16.966 13.897 ( 1.817 -6.845 0.344) 7.091 14.450 ( 2.583 -1.420 8.463) 8.962 14.602 ( -4.735 2.616 -2.648) 6.024 15.131 ( -11.049 -5.221 2.232) 12.423 15.875 ( -1.890 7.597 -2.111) 8.108 16.053 ( 20.676 3.324 -2.215) 21.058 18.198 ( 1.693 5.937 6.456) 8.933 18.386 ( 8.689 6.658 -4.025) 11.663 18.500 ( -6.734 -7.038 0.938) 9.786 19.156 ( -1.317 -1.490 -0.737) 2.121 19.261 ( -0.043 0.103 1.558) 1.562 19.879 ( 2.725 3.323 -2.129) 4.795 20.270 ( -4.778 -3.829 0.204) 6.126 20.304 ( -0.884 -3.242 0.409) 3.385 20.692 ( -0.916 -0.815 11.039) 11.106 20.931 ( 1.979 2.693 -11.390) 11.870 22.010 ( 0.922 1.282 -1.661) 2.292 22.349 ( 1.094 1.448 1.194) 2.172 28.367 ( -0.511 0.166 0.718) 0.897 29.473 ( -6.121 -6.115 0.954) 8.705 29.678 ( -1.667 -3.556 2.588) 4.703 29.709 ( -0.757 -0.092 -3.092) 3.185 35.815 ( 3.824 7.615 -1.501) 8.652 35.989 ( 12.102 8.757 -0.592) 14.949 36.477 ( 8.876 11.926 -0.735) 14.885 38.519 ( 2.661 -0.540 2.727) 3.848 38.574 ( -0.603 3.878 -3.401) 5.194 40.901 ( -15.140 -18.356 6.305) 24.615 41.384 ( -7.996 -10.366 3.378) 13.520 42.119 ( -0.879 0.438 -10.292) 10.339 ======================= Grid point 305 (83/85) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 0.000 -14.468 0.676) 14.484 3.287 ( 0.000 -2.391 9.021) 9.333 3.562 ( 0.000 1.020 -12.003) 12.046 5.212 ( -0.000 -2.414 33.679) 33.765 5.523 ( 0.000 -1.365 -10.933) 11.018 5.658 ( -0.000 3.908 2.525) 4.653 5.932 ( -0.000 13.772 -6.528) 15.241 6.049 ( -0.000 9.504 -18.581) 20.870 7.377 ( 0.000 -21.346 -3.732) 21.669 7.625 ( 0.000 -7.320 4.141) 8.411 7.762 ( -0.000 5.676 14.120) 15.218 8.100 ( 0.000 -3.142 -9.662) 10.160 8.420 ( -0.000 0.330 1.206) 1.250 8.578 ( -0.000 2.818 -2.909) 4.050 9.379 ( 0.000 -9.047 8.083) 12.132 9.535 ( 0.000 -6.786 -6.769) 9.585 9.921 ( 0.000 -14.255 1.303) 14.315 10.193 ( 0.000 -8.073 0.634) 8.098 10.274 ( 0.000 -1.938 6.811) 7.081 10.331 ( 0.000 -6.213 -3.796) 7.281 10.613 ( 0.000 -1.421 -5.087) 5.282 10.938 ( 0.000 -11.925 -0.865) 11.956 11.394 ( -0.000 11.126 1.519) 11.229 11.616 ( 0.000 -4.844 0.379) 4.859 11.871 ( 0.000 -12.182 -10.351) 15.986 12.118 ( -0.000 6.423 -2.907) 7.050 12.610 ( 0.000 -5.542 2.901) 6.255 12.696 ( -0.000 7.085 1.583) 7.260 12.917 ( -0.000 6.802 -0.979) 6.872 13.236 ( -0.000 11.331 -4.180) 12.077 13.874 ( 0.000 -9.804 12.060) 15.542 14.405 ( -0.000 2.514 9.020) 9.364 14.669 ( -0.000 5.547 -10.019) 11.452 15.267 ( 0.000 -12.416 -3.606) 12.929 15.722 ( -0.000 4.284 7.622) 8.743 15.921 ( -0.000 14.893 2.554) 15.110 18.173 ( -0.000 8.479 5.150) 9.921 18.271 ( -0.000 8.324 -4.503) 9.464 18.597 ( 0.000 -10.679 2.382) 10.942 19.170 ( 0.000 -1.750 -0.548) 1.834 19.259 ( -0.000 1.693 0.984) 1.958 19.844 ( -0.000 3.870 -3.511) 5.225 20.282 ( 0.000 -7.265 3.515) 8.070 20.372 ( 0.000 -2.485 -2.115) 3.264 20.707 ( -0.000 -0.203 10.763) 10.765 20.909 ( 0.000 2.011 -12.577) 12.737 21.996 ( -0.000 2.248 -1.970) 2.989 22.343 ( -0.000 0.468 0.484) 0.673 28.371 ( -0.000 1.107 -0.184) 1.122 29.561 ( 0.000 -7.421 -0.625) 7.447 29.648 ( 0.000 -1.651 3.877) 4.213 29.759 ( 0.000 -2.165 -2.504) 3.311 35.723 ( -0.000 4.268 1.160) 4.423 35.886 ( -0.000 15.139 -2.077) 15.280 36.362 ( -0.000 10.884 -1.307) 10.963 38.483 ( 0.000 -0.610 2.773) 2.839 38.582 ( -0.000 5.372 -4.724) 7.154 41.102 ( 0.000 -22.057 11.164) 24.722 41.480 ( 0.000 -12.902 1.269) 12.964 42.114 ( -0.000 4.639 -11.367) 12.277 ======================= Grid point 384 (84/85) ======================= q-point: ( 0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 0.000 0.000 -4.375) 4.375 3.258 ( -0.000 -0.000 7.203) 7.203 3.733 ( 0.000 0.000 -10.633) 10.633 4.625 ( -0.000 -0.000 41.740) 41.740 5.525 ( 0.000 0.000 -2.556) 2.556 5.708 ( 0.000 0.000 -1.269) 1.269 5.778 ( 0.000 0.000 -10.118) 10.118 6.337 ( 0.000 0.000 -27.437) 27.437 7.465 ( -0.000 -0.000 18.180) 18.180 7.574 ( -0.000 -0.000 13.684) 13.684 7.714 ( -0.000 -0.000 2.651) 2.651 8.248 ( 0.000 0.000 -2.913) 2.913 8.307 ( -0.000 -0.000 0.098) 0.098 8.783 ( 0.000 0.000 -21.148) 21.148 9.385 ( -0.000 -0.000 4.696) 4.696 9.628 ( -0.000 -0.000 1.465) 1.465 9.927 ( -0.000 -0.000 13.699) 13.699 10.101 ( -0.000 -0.000 9.052) 9.052 10.265 ( -0.000 -0.000 4.740) 4.740 10.644 ( 0.000 0.000 -5.001) 5.001 10.844 ( -0.000 -0.000 4.590) 4.590 10.923 ( 0.000 0.000 -11.876) 11.876 11.377 ( 0.000 0.000 -7.837) 7.837 11.847 ( -0.000 -0.000 3.012) 3.012 11.935 ( 0.000 0.000 -5.616) 5.616 12.262 ( 0.000 0.000 -9.965) 9.965 12.653 ( 0.000 0.000 -8.781) 8.781 12.672 ( 0.000 0.000 -8.123) 8.123 12.768 ( -0.000 -0.000 4.100) 4.100 13.375 ( -0.000 -0.000 0.731) 0.731 13.748 ( -0.000 -0.000 21.002) 21.002 14.126 ( -0.000 -0.000 12.089) 12.089 14.733 ( 0.000 0.000 -18.907) 18.907 15.399 ( -0.000 -0.000 13.346) 13.346 15.510 ( 0.000 0.000 -0.590) 0.590 15.677 ( -0.000 -0.000 4.120) 4.120 17.911 ( -0.000 -0.000 9.064) 9.064 18.246 ( 0.000 0.000 -5.110) 5.110 18.627 ( -0.000 -0.000 12.986) 12.986 19.184 ( -0.000 -0.000 0.131) 0.131 19.238 ( 0.000 0.000 -2.764) 2.764 19.922 ( 0.000 0.000 -10.950) 10.950 20.325 ( -0.000 -0.000 5.894) 5.894 20.453 ( 0.000 0.000 -1.126) 1.126 20.575 ( -0.000 -0.000 5.666) 5.666 21.077 ( 0.000 0.000 -12.167) 12.167 21.993 ( 0.000 0.000 -1.910) 1.910 22.359 ( 0.000 0.000 -2.384) 2.384 28.339 ( -0.000 -0.000 0.995) 0.995 29.565 ( -0.000 -0.000 4.937) 4.937 29.731 ( 0.000 0.000 -1.512) 1.512 29.807 ( 0.000 0.000 -0.361) 0.361 35.621 ( -0.000 -0.000 0.122) 0.122 35.747 ( 0.000 0.000 -5.210) 5.210 36.251 ( 0.000 0.000 -4.024) 4.024 38.484 ( 0.000 0.000 -0.282) 0.282 38.548 ( 0.000 0.000 -3.267) 3.267 41.031 ( -0.000 -0.000 26.011) 26.011 41.885 ( 0.000 0.000 -0.665) 0.665 42.155 ( 0.000 0.000 -19.701) 19.701 ======================= Grid point 387 (85/85) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.32e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -2.379 -1.373 -1.396) 3.081 3.366 ( -3.260 -1.882 10.594) 11.243 3.542 ( -2.047 -1.182 -11.511) 11.751 5.225 ( -4.600 -2.656 36.156) 36.544 5.558 ( 3.462 1.999 9.012) 9.859 5.658 ( 3.236 1.869 -11.946) 12.517 5.712 ( 1.972 1.138 -6.723) 7.098 5.933 ( 8.817 5.090 -25.600) 27.550 7.542 ( -16.353 -9.441 12.152) 22.455 7.741 ( 1.963 1.133 -0.924) 2.448 7.810 ( 5.573 3.218 1.887) 6.706 8.077 ( -10.383 -5.994 0.832) 12.018 8.423 ( 5.442 3.142 -0.537) 6.307 8.520 ( 3.677 2.123 -10.458) 11.287 9.462 ( -3.630 -2.096 8.282) 9.282 9.587 ( -0.988 -0.570 -5.903) 6.012 10.073 ( -5.506 -3.179 3.206) 7.120 10.205 ( 0.042 0.024 9.383) 9.383 10.262 ( -4.325 -2.497 0.745) 5.049 10.590 ( -3.429 -1.980 1.454) 4.218 10.603 ( -12.910 -7.454 -5.936) 16.046 11.090 ( 4.829 2.788 -2.664) 6.180 11.167 ( 7.729 4.462 -7.349) 11.561 11.765 ( -12.502 -7.218 4.275) 15.056 11.924 ( -7.837 -4.525 3.232) 9.609 12.104 ( 1.077 0.622 -7.761) 7.860 12.619 ( 5.341 3.083 0.599) 6.196 12.649 ( 6.733 3.887 -5.857) 9.734 12.837 ( 2.820 1.628 1.440) 3.561 13.225 ( -11.808 -6.818 -0.379) 13.641 14.075 ( -4.940 -2.852 10.002) 11.515 14.327 ( 9.213 5.319 9.208) 14.070 14.492 ( 5.719 3.302 -12.772) 14.378 15.398 ( -9.751 -5.630 1.260) 11.330 15.687 ( 12.187 7.036 5.778) 15.212 15.734 ( 5.414 3.126 -3.659) 7.244 18.070 ( 3.103 1.792 7.903) 8.677 18.190 ( 4.534 2.618 -6.422) 8.285 18.729 ( -6.751 -3.898 5.055) 9.291 19.192 ( -0.659 -0.380 -0.481) 0.900 19.221 ( 2.186 1.262 0.454) 2.565 19.801 ( 1.864 1.076 -4.919) 5.369 20.369 ( -2.532 -1.462 3.128) 4.282 20.403 ( -3.177 -1.834 -2.050) 4.203 20.706 ( -0.037 -0.021 11.037) 11.037 20.891 ( 0.536 0.310 -12.592) 12.607 21.969 ( 1.136 0.656 -1.558) 2.037 22.344 ( -0.317 -0.183 0.166) 0.402 28.355 ( 0.587 0.339 0.373) 0.773 29.619 ( -2.877 -1.661 3.432) 4.777 29.687 ( -0.175 -0.101 -2.204) 2.213 29.785 ( -2.380 -1.374 -0.287) 2.763 35.673 ( 3.862 2.230 1.077) 4.587 35.724 ( 6.100 3.522 -2.861) 7.602 36.247 ( 4.682 2.703 -1.260) 5.551 38.493 ( 1.024 0.591 1.369) 1.809 38.518 ( 1.086 0.627 -2.626) 2.910 41.347 ( -10.829 -6.252 21.079) 24.508 41.660 ( -10.811 -6.242 -9.861) 15.909 42.010 ( 8.067 4.658 -9.937) 13.621 =================== 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 3/43740 10.0 596.762 596.762 481.370 0.000 -0.000 -0.000 3/43740 20.0 266.925 266.925 297.056 0.000 -0.000 -0.000 3/43740 30.0 164.024 164.024 175.042 0.000 -0.000 -0.000 3/43740 40.0 122.826 122.826 127.649 0.000 -0.000 -0.000 3/43740 50.0 97.624 97.624 98.545 0.000 -0.000 -0.000 3/43740 60.0 79.086 79.086 77.929 0.000 -0.000 -0.000 3/43740 70.0 64.912 64.912 62.812 0.000 -0.000 -0.000 3/43740 80.0 54.019 54.019 51.572 0.000 -0.000 -0.000 3/43740 90.0 45.618 45.618 43.110 0.000 -0.000 -0.000 3/43740 100.0 39.090 39.090 36.650 0.000 -0.000 -0.000 3/43740 110.0 33.960 33.960 31.643 0.000 -0.000 -0.000 3/43740 120.0 29.878 29.878 27.700 0.000 -0.000 -0.000 3/43740 130.0 26.585 26.585 24.546 0.000 -0.000 -0.000 3/43740 140.0 23.892 23.892 21.986 0.000 -0.000 -0.000 3/43740 150.0 21.663 21.663 19.879 0.000 -0.000 -0.000 3/43740 160.0 19.795 19.795 18.123 0.000 -0.000 -0.000 3/43740 170.0 18.212 18.212 16.641 0.000 -0.000 -0.000 3/43740 180.0 16.857 16.857 15.379 0.000 -0.000 -0.000 3/43740 190.0 15.686 15.686 14.291 0.000 -0.000 -0.000 3/43740 200.0 14.666 14.666 13.347 0.000 -0.000 -0.000 3/43740 210.0 13.770 13.770 12.520 0.000 -0.000 -0.000 3/43740 220.0 12.977 12.977 11.790 0.000 -0.000 -0.000 3/43740 230.0 12.272 12.272 11.142 0.000 -0.000 -0.000 3/43740 240.0 11.641 11.641 10.564 0.000 -0.000 -0.000 3/43740 250.0 11.072 11.072 10.043 0.000 -0.000 -0.000 3/43740 260.0 10.557 10.557 9.573 0.000 -0.000 -0.000 3/43740 270.0 10.090 10.090 9.147 0.000 -0.000 -0.000 3/43740 280.0 9.663 9.663 8.758 0.000 -0.000 -0.000 3/43740 290.0 9.272 9.272 8.402 0.000 -0.000 -0.000 3/43740 300.0 8.912 8.912 8.076 0.000 -0.000 -0.000 3/43740 310.0 8.580 8.580 7.775 0.000 -0.000 -0.000 3/43740 320.0 8.273 8.273 7.496 0.000 -0.000 -0.000 3/43740 330.0 7.988 7.988 7.238 0.000 -0.000 -0.000 3/43740 340.0 7.722 7.722 6.998 0.000 -0.000 -0.000 3/43740 350.0 7.474 7.474 6.774 0.000 -0.000 -0.000 3/43740 360.0 7.243 7.243 6.565 0.000 -0.000 -0.000 3/43740 370.0 7.026 7.026 6.369 0.000 -0.000 -0.000 3/43740 380.0 6.822 6.822 6.185 0.000 -0.000 -0.000 3/43740 390.0 6.629 6.629 6.011 0.000 -0.000 -0.000 3/43740 400.0 6.448 6.448 5.848 0.000 -0.000 -0.000 3/43740 410.0 6.277 6.277 5.694 0.000 -0.000 -0.000 3/43740 420.0 6.116 6.116 5.549 0.000 -0.000 -0.000 3/43740 430.0 5.962 5.962 5.411 0.000 -0.000 -0.000 3/43740 440.0 5.817 5.817 5.280 0.000 -0.000 -0.000 3/43740 450.0 5.678 5.678 5.156 0.000 -0.000 -0.000 3/43740 460.0 5.547 5.547 5.037 0.000 -0.000 -0.000 3/43740 470.0 5.421 5.421 4.925 0.000 -0.000 -0.000 3/43740 480.0 5.302 5.302 4.817 0.000 -0.000 -0.000 3/43740 490.0 5.188 5.188 4.715 0.000 -0.000 -0.000 3/43740 500.0 5.078 5.078 4.617 0.000 -0.000 -0.000 3/43740 510.0 4.974 4.974 4.523 0.000 -0.000 -0.000 3/43740 520.0 4.874 4.874 4.433 0.000 -0.000 -0.000 3/43740 530.0 4.778 4.778 4.347 0.000 -0.000 -0.000 3/43740 540.0 4.686 4.686 4.264 0.000 -0.000 -0.000 3/43740 550.0 4.597 4.597 4.185 0.000 -0.000 -0.000 3/43740 560.0 4.512 4.512 4.108 0.000 -0.000 -0.000 3/43740 570.0 4.430 4.430 4.035 0.000 -0.000 -0.000 3/43740 580.0 4.351 4.351 3.964 0.000 -0.000 -0.000 3/43740 590.0 4.275 4.275 3.896 0.000 -0.000 -0.000 3/43740 600.0 4.202 4.202 3.830 0.000 -0.000 -0.000 3/43740 610.0 4.131 4.131 3.766 0.000 -0.000 -0.000 3/43740 620.0 4.063 4.063 3.705 0.000 -0.000 -0.000 3/43740 630.0 3.997 3.997 3.646 0.000 -0.000 -0.000 3/43740 640.0 3.933 3.933 3.588 0.000 -0.000 -0.000 3/43740 650.0 3.871 3.871 3.533 0.000 -0.000 -0.000 3/43740 660.0 3.811 3.811 3.479 0.000 -0.000 -0.000 3/43740 670.0 3.753 3.753 3.427 0.000 -0.000 -0.000 3/43740 680.0 3.697 3.697 3.377 0.000 -0.000 -0.000 3/43740 690.0 3.643 3.643 3.328 0.000 -0.000 -0.000 3/43740 700.0 3.590 3.590 3.280 0.000 -0.000 -0.000 3/43740 710.0 3.539 3.539 3.234 0.000 -0.000 -0.000 3/43740 720.0 3.489 3.489 3.189 0.000 -0.000 -0.000 3/43740 730.0 3.441 3.441 3.146 0.000 -0.000 -0.000 3/43740 740.0 3.394 3.394 3.104 0.000 -0.000 -0.000 3/43740 750.0 3.348 3.348 3.062 0.000 -0.000 -0.000 3/43740 760.0 3.304 3.304 3.022 0.000 -0.000 -0.000 3/43740 770.0 3.261 3.261 2.984 0.000 -0.000 -0.000 3/43740 780.0 3.218 3.218 2.946 0.000 -0.000 -0.000 3/43740 790.0 3.177 3.177 2.909 0.000 -0.000 -0.000 3/43740 800.0 3.138 3.138 2.873 0.000 -0.000 -0.000 3/43740 810.0 3.099 3.099 2.838 0.000 -0.000 -0.000 3/43740 820.0 3.061 3.061 2.803 0.000 -0.000 -0.000 3/43740 830.0 3.024 3.024 2.770 0.000 -0.000 -0.000 3/43740 840.0 2.988 2.988 2.738 0.000 -0.000 -0.000 3/43740 850.0 2.952 2.952 2.706 0.000 -0.000 -0.000 3/43740 860.0 2.918 2.918 2.675 0.000 -0.000 -0.000 3/43740 870.0 2.884 2.884 2.644 0.000 -0.000 -0.000 3/43740 880.0 2.852 2.852 2.615 0.000 -0.000 -0.000 3/43740 890.0 2.820 2.820 2.586 0.000 -0.000 -0.000 3/43740 900.0 2.788 2.788 2.558 0.000 -0.000 -0.000 3/43740 910.0 2.758 2.758 2.530 0.000 -0.000 -0.000 3/43740 920.0 2.728 2.728 2.503 0.000 -0.000 -0.000 3/43740 930.0 2.699 2.699 2.476 0.000 -0.000 -0.000 3/43740 940.0 2.670 2.670 2.450 0.000 -0.000 -0.000 3/43740 950.0 2.642 2.642 2.425 0.000 -0.000 -0.000 3/43740 960.0 2.614 2.614 2.400 0.000 -0.000 -0.000 3/43740 970.0 2.588 2.588 2.376 0.000 -0.000 -0.000 3/43740 980.0 2.561 2.561 2.352 0.000 -0.000 -0.000 3/43740 990.0 2.536 2.536 2.329 0.000 -0.000 -0.000 3/43740 1000.0 2.510 2.510 2.306 0.000 -0.000 -0.000 3/43740 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:23:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|