----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:32:19]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.835641213419056 0.000000000000000 0.000000000000000 b 0.000000000000000 9.323999460000000 0.000000000000000 c -1.113888664287034 0.000000000000000 8.232292122546138 Atomic positions (fractional): *1 As 0.81944236960431 0.13908752293825 0.03392609220895 74.922 *2 As 0.87264453676848 0.64994358722086 0.84653757522023 74.922 3 As 0.87264453676848 0.85005641277914 0.34653757522023 74.922 *4 As 0.35558878513959 0.33343646063378 0.33376383917626 74.922 *5 As 0.57783081769137 0.45577235859849 0.82832556750150 74.922 6 As 0.57783081769137 0.04422764140151 0.32832556750150 74.922 7 As 0.12735546323152 0.14994358722086 0.65346242477977 74.922 8 As 0.18055763039569 0.86091247706175 0.96607390779105 74.922 9 As 0.64441121486041 0.83343646063378 0.16623616082375 74.922 10 As 0.12735546323152 0.35005641277914 0.15346242477977 74.922 11 As 0.81944236960431 0.36091247706175 0.53392609220895 74.922 12 As 0.42216918230863 0.95577235859849 0.67167443249850 74.922 13 As 0.64441121486041 0.66656353936622 0.66623616082375 74.922 14 As 0.18055763039569 0.63908752293825 0.46607390779105 74.922 15 As 0.35558878513959 0.16656353936622 0.83376383917625 74.922 16 As 0.42216918230863 0.54422764140151 0.17167443249850 74.922 *17 S 0.75700572480989 0.52293607706616 0.01904460346262 32.065 *18 S 0.69248649120642 0.55851934380136 0.44415498297705 32.065 *19 S 0.02514631274166 0.52165854667707 0.28575589593741 32.065 20 S 0.97485368725834 0.02165854667707 0.21424410406260 32.065 21 S 0.30751350879358 0.05851934380136 0.05584501702295 32.065 22 S 0.69248649120642 0.94148065619864 0.94415498297705 32.065 *23 S 0.33601364205998 0.72581031053814 0.30890270083956 32.065 24 S 0.24299427519011 0.47706392293384 0.98095539653738 32.065 25 S 0.75700572480989 0.97706392293384 0.51904460346262 32.065 26 S 0.33601364205998 0.77418968946186 0.80890270083956 32.065 27 S 0.97485368725834 0.47834145332293 0.71424410406259 32.065 28 S 0.02514631274166 0.97834145332293 0.78575589593741 32.065 29 S 0.24299427519011 0.02293607706616 0.48095539653738 32.065 30 S 0.30751350879358 0.44148065619864 0.55584501702295 32.065 31 S 0.66398635794002 0.27418968946186 0.69109729916044 32.065 32 S 0.66398635794002 0.22581031053814 0.19109729916044 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.835641213419056 0.000000000000000 0.000000000000000 b 0.000000000000000 9.323999460000000 0.000000000000000 c -1.113888664287034 0.000000000000000 8.232292122546138 Atomic positions (fractional): *1 As 0.81944236960431 0.13908752293825 0.03392609220895 74.922 > 1 *2 As 0.87264453676848 0.64994358722086 0.84653757522023 74.922 > 2 3 As 0.87264453676848 0.85005641277914 0.34653757522023 74.922 > 3 *4 As 0.35558878513959 0.33343646063378 0.33376383917626 74.922 > 4 *5 As 0.57783081769137 0.45577235859849 0.82832556750150 74.922 > 5 6 As 0.57783081769137 0.04422764140151 0.32832556750150 74.922 > 6 7 As 0.12735546323152 0.14994358722086 0.65346242477977 74.922 > 7 8 As 0.18055763039569 0.86091247706175 0.96607390779105 74.922 > 8 9 As 0.64441121486041 0.83343646063378 0.16623616082375 74.922 > 9 10 As 0.12735546323152 0.35005641277914 0.15346242477977 74.922 > 10 11 As 0.81944236960431 0.36091247706175 0.53392609220895 74.922 > 11 12 As 0.42216918230863 0.95577235859849 0.67167443249850 74.922 > 12 13 As 0.64441121486041 0.66656353936622 0.66623616082375 74.922 > 13 14 As 0.18055763039569 0.63908752293825 0.46607390779105 74.922 > 14 15 As 0.35558878513959 0.16656353936622 0.83376383917625 74.922 > 15 16 As 0.42216918230863 0.54422764140151 0.17167443249850 74.922 > 16 *17 S 0.75700572480989 0.52293607706616 0.01904460346262 32.065 > 17 *18 S 0.69248649120642 0.55851934380136 0.44415498297705 32.065 > 18 *19 S 0.02514631274166 0.52165854667707 0.28575589593741 32.065 > 19 20 S 0.97485368725834 0.02165854667707 0.21424410406260 32.065 > 20 21 S 0.30751350879358 0.05851934380136 0.05584501702295 32.065 > 21 22 S 0.69248649120642 0.94148065619864 0.94415498297705 32.065 > 22 *23 S 0.33601364205998 0.72581031053814 0.30890270083956 32.065 > 23 24 S 0.24299427519011 0.47706392293384 0.98095539653738 32.065 > 24 25 S 0.75700572480989 0.97706392293384 0.51904460346262 32.065 > 25 26 S 0.33601364205998 0.77418968946186 0.80890270083956 32.065 > 26 27 S 0.97485368725834 0.47834145332293 0.71424410406259 32.065 > 27 28 S 0.02514631274166 0.97834145332293 0.78575589593741 32.065 > 28 29 S 0.24299427519011 0.02293607706616 0.48095539653738 32.065 > 29 30 S 0.30751350879358 0.44148065619864 0.55584501702295 32.065 > 30 31 S 0.66398635794002 0.27418968946186 0.69109729916044 32.065 > 31 32 S 0.66398635794002 0.22581031053814 0.19109729916044 32.065 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.835641213419056 0.000000000000000 0.000000000000000 b 0.000000000000000 18.647998919999999 0.000000000000000 c -2.227777328574068 0.000000000000000 16.464584245092276 Atomic positions (fractional): *1 As 0.81944236960431 0.06954376146912 0.01696304610448 74.922 > 1 2 As 0.81944236960431 0.56954376146912 0.01696304610448 74.922 > 1 3 As 0.81944236960431 0.06954376146912 0.51696304610447 74.922 > 1 4 As 0.81944236960431 0.56954376146912 0.51696304610447 74.922 > 1 *5 As 0.87264453676848 0.32497179361043 0.42326878761012 74.922 > 2 6 As 0.87264453676848 0.82497179361043 0.42326878761012 74.922 > 2 7 As 0.87264453676848 0.32497179361043 0.92326878761012 74.922 > 2 8 As 0.87264453676848 0.82497179361043 0.92326878761012 74.922 > 2 9 As 0.87264453676848 0.42502820638957 0.17326878761012 74.922 > 3 10 As 0.87264453676848 0.92502820638957 0.17326878761012 74.922 > 3 11 As 0.87264453676848 0.42502820638957 0.67326878761012 74.922 > 3 12 As 0.87264453676848 0.92502820638957 0.67326878761012 74.922 > 3 *13 As 0.35558878513959 0.16671823031689 0.16688191958813 74.922 > 4 14 As 0.35558878513959 0.66671823031689 0.16688191958813 74.922 > 4 15 As 0.35558878513959 0.16671823031689 0.66688191958813 74.922 > 4 16 As 0.35558878513959 0.66671823031689 0.66688191958813 74.922 > 4 *17 As 0.57783081769137 0.22788617929924 0.41416278375075 74.922 > 5 18 As 0.57783081769137 0.72788617929924 0.41416278375075 74.922 > 5 19 As 0.57783081769137 0.22788617929924 0.91416278375075 74.922 > 5 20 As 0.57783081769137 0.72788617929924 0.91416278375075 74.922 > 5 21 As 0.57783081769137 0.02211382070076 0.16416278375075 74.922 > 6 22 As 0.57783081769137 0.52211382070076 0.16416278375075 74.922 > 6 23 As 0.57783081769137 0.02211382070076 0.66416278375075 74.922 > 6 24 As 0.57783081769137 0.52211382070076 0.66416278375075 74.922 > 6 25 As 0.12735546323152 0.07497179361043 0.32673121238988 74.922 > 7 26 As 0.12735546323152 0.57497179361043 0.32673121238988 74.922 > 7 27 As 0.12735546323152 0.07497179361043 0.82673121238988 74.922 > 7 28 As 0.12735546323152 0.57497179361043 0.82673121238988 74.922 > 7 29 As 0.18055763039569 0.43045623853088 0.48303695389553 74.922 > 8 30 As 0.18055763039569 0.93045623853088 0.48303695389553 74.922 > 8 31 As 0.18055763039569 0.43045623853088 0.98303695389553 74.922 > 8 32 As 0.18055763039569 0.93045623853088 0.98303695389553 74.922 > 8 33 As 0.64441121486041 0.41671823031689 0.08311808041187 74.922 > 9 34 As 0.64441121486041 0.91671823031689 0.08311808041187 74.922 > 9 35 As 0.64441121486041 0.41671823031689 0.58311808041187 74.922 > 9 36 As 0.64441121486041 0.91671823031689 0.58311808041187 74.922 > 9 37 As 0.12735546323152 0.17502820638957 0.07673121238988 74.922 > 10 38 As 0.12735546323152 0.67502820638957 0.07673121238988 74.922 > 10 39 As 0.12735546323152 0.17502820638957 0.57673121238988 74.922 > 10 40 As 0.12735546323152 0.67502820638957 0.57673121238988 74.922 > 10 41 As 0.81944236960431 0.18045623853088 0.26696304610447 74.922 > 11 42 As 0.81944236960431 0.68045623853088 0.26696304610447 74.922 > 11 43 As 0.81944236960431 0.18045623853088 0.76696304610447 74.922 > 11 44 As 0.81944236960431 0.68045623853088 0.76696304610447 74.922 > 11 45 As 0.42216918230863 0.47788617929924 0.33583721624925 74.922 > 12 46 As 0.42216918230863 0.97788617929924 0.33583721624925 74.922 > 12 47 As 0.42216918230863 0.47788617929924 0.83583721624925 74.922 > 12 48 As 0.42216918230863 0.97788617929924 0.83583721624925 74.922 > 12 49 As 0.64441121486041 0.33328176968311 0.33311808041187 74.922 > 13 50 As 0.64441121486041 0.83328176968311 0.33311808041187 74.922 > 13 51 As 0.64441121486041 0.33328176968311 0.83311808041187 74.922 > 13 52 As 0.64441121486041 0.83328176968311 0.83311808041187 74.922 > 13 53 As 0.18055763039569 0.31954376146912 0.23303695389553 74.922 > 14 54 As 0.18055763039569 0.81954376146912 0.23303695389553 74.922 > 14 55 As 0.18055763039569 0.31954376146912 0.73303695389553 74.922 > 14 56 As 0.18055763039569 0.81954376146912 0.73303695389553 74.922 > 14 57 As 0.35558878513959 0.08328176968311 0.41688191958813 74.922 > 15 58 As 0.35558878513959 0.58328176968311 0.41688191958813 74.922 > 15 59 As 0.35558878513959 0.08328176968311 0.91688191958813 74.922 > 15 60 As 0.35558878513959 0.58328176968311 0.91688191958813 74.922 > 15 61 As 0.42216918230863 0.27211382070076 0.08583721624925 74.922 > 16 62 As 0.42216918230863 0.77211382070076 0.08583721624925 74.922 > 16 63 As 0.42216918230863 0.27211382070076 0.58583721624925 74.922 > 16 64 As 0.42216918230863 0.77211382070076 0.58583721624925 74.922 > 16 *65 S 0.75700572480989 0.26146803853308 0.00952230173131 32.065 > 17 66 S 0.75700572480989 0.76146803853308 0.00952230173131 32.065 > 17 67 S 0.75700572480989 0.26146803853308 0.50952230173131 32.065 > 17 68 S 0.75700572480989 0.76146803853308 0.50952230173131 32.065 > 17 *69 S 0.69248649120642 0.27925967190068 0.22207749148852 32.065 > 18 70 S 0.69248649120642 0.77925967190068 0.22207749148852 32.065 > 18 71 S 0.69248649120642 0.27925967190068 0.72207749148852 32.065 > 18 72 S 0.69248649120642 0.77925967190068 0.72207749148852 32.065 > 18 *73 S 0.02514631274166 0.26082927333853 0.14287794796870 32.065 > 19 74 S 0.02514631274166 0.76082927333853 0.14287794796870 32.065 > 19 75 S 0.02514631274166 0.26082927333853 0.64287794796870 32.065 > 19 76 S 0.02514631274166 0.76082927333853 0.64287794796870 32.065 > 19 77 S 0.97485368725834 0.01082927333853 0.10712205203130 32.065 > 20 78 S 0.97485368725834 0.51082927333853 0.10712205203130 32.065 > 20 79 S 0.97485368725834 0.01082927333853 0.60712205203130 32.065 > 20 80 S 0.97485368725834 0.51082927333853 0.60712205203130 32.065 > 20 81 S 0.30751350879358 0.02925967190068 0.02792250851148 32.065 > 21 82 S 0.30751350879358 0.52925967190068 0.02792250851148 32.065 > 21 83 S 0.30751350879358 0.02925967190068 0.52792250851148 32.065 > 21 84 S 0.30751350879358 0.52925967190068 0.52792250851148 32.065 > 21 85 S 0.69248649120642 0.47074032809932 0.47207749148852 32.065 > 22 86 S 0.69248649120642 0.97074032809932 0.47207749148852 32.065 > 22 87 S 0.69248649120642 0.47074032809932 0.97207749148852 32.065 > 22 88 S 0.69248649120642 0.97074032809932 0.97207749148852 32.065 > 22 *89 S 0.33601364205998 0.36290515526907 0.15445135041978 32.065 > 23 90 S 0.33601364205998 0.86290515526907 0.15445135041978 32.065 > 23 91 S 0.33601364205998 0.36290515526907 0.65445135041978 32.065 > 23 92 S 0.33601364205998 0.86290515526907 0.65445135041978 32.065 > 23 93 S 0.24299427519011 0.23853196146692 0.49047769826869 32.065 > 24 94 S 0.24299427519011 0.73853196146692 0.49047769826869 32.065 > 24 95 S 0.24299427519011 0.23853196146692 0.99047769826869 32.065 > 24 96 S 0.24299427519011 0.73853196146692 0.99047769826869 32.065 > 24 97 S 0.75700572480989 0.48853196146692 0.25952230173131 32.065 > 25 98 S 0.75700572480989 0.98853196146692 0.25952230173131 32.065 > 25 99 S 0.75700572480989 0.48853196146692 0.75952230173131 32.065 > 25 100 S 0.75700572480989 0.98853196146692 0.75952230173131 32.065 > 25 101 S 0.33601364205998 0.38709484473093 0.40445135041978 32.065 > 26 102 S 0.33601364205998 0.88709484473093 0.40445135041978 32.065 > 26 103 S 0.33601364205998 0.38709484473093 0.90445135041978 32.065 > 26 104 S 0.33601364205998 0.88709484473093 0.90445135041978 32.065 > 26 105 S 0.97485368725834 0.23917072666147 0.35712205203130 32.065 > 27 106 S 0.97485368725834 0.73917072666147 0.35712205203130 32.065 > 27 107 S 0.97485368725834 0.23917072666147 0.85712205203130 32.065 > 27 108 S 0.97485368725834 0.73917072666147 0.85712205203130 32.065 > 27 109 S 0.02514631274166 0.48917072666147 0.39287794796870 32.065 > 28 110 S 0.02514631274166 0.98917072666147 0.39287794796870 32.065 > 28 111 S 0.02514631274166 0.48917072666147 0.89287794796870 32.065 > 28 112 S 0.02514631274166 0.98917072666147 0.89287794796870 32.065 > 28 113 S 0.24299427519011 0.01146803853308 0.24047769826869 32.065 > 29 114 S 0.24299427519011 0.51146803853308 0.24047769826869 32.065 > 29 115 S 0.24299427519011 0.01146803853308 0.74047769826869 32.065 > 29 116 S 0.24299427519011 0.51146803853308 0.74047769826869 32.065 > 29 117 S 0.30751350879358 0.22074032809932 0.27792250851148 32.065 > 30 118 S 0.30751350879358 0.72074032809932 0.27792250851148 32.065 > 30 119 S 0.30751350879358 0.22074032809932 0.77792250851148 32.065 > 30 120 S 0.30751350879358 0.72074032809932 0.77792250851148 32.065 > 30 121 S 0.66398635794002 0.13709484473093 0.34554864958022 32.065 > 31 122 S 0.66398635794002 0.63709484473093 0.34554864958022 32.065 > 31 123 S 0.66398635794002 0.13709484473093 0.84554864958022 32.065 > 31 124 S 0.66398635794002 0.63709484473093 0.84554864958022 32.065 > 31 125 S 0.66398635794002 0.11290515526907 0.09554864958022 32.065 > 32 126 S 0.66398635794002 0.61290515526907 0.09554864958022 32.065 > 32 127 S 0.66398635794002 0.11290515526907 0.59554864958022 32.065 > 32 128 S 0.66398635794002 0.61290515526907 0.59554864958022 32.065 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6250302 0.0000000 -0.0004788 0.0000000 8.6473729 0.0000000 -0.0004798 0.0000000 8.4662811 -------------------------- Born effective charges -------------------------- 1 As 2.2031740 -0.4458401 -0.1500785 -0.3698482 1.9728110 -0.2402540 0.1400353 0.1510190 2.0257302 2 As 1.1701019 -0.0918808 -0.8569334 -0.1066951 1.3189620 0.3394376 -1.0865781 0.3762543 1.0908831 3 As 1.1701019 0.0918808 -0.8569334 0.1066951 1.3189620 -0.3394376 -1.0865781 -0.3762543 1.0908831 4 As 0.2395485 -0.1554533 0.0928642 -0.0468131 1.3469604 -0.2577317 -0.1752865 0.1616284 1.1364926 5 As 1.6821580 0.2000430 0.4293732 0.0919323 0.8442823 0.8894853 0.5780624 0.7900291 1.6026442 6 As 1.6821580 -0.2000430 0.4293732 -0.0919323 0.8442823 -0.8894853 0.5780624 -0.7900291 1.6026442 7 As 1.1701019 0.0918808 -0.8569334 0.1066951 1.3189620 -0.3394376 -1.0865781 -0.3762543 1.0908831 8 As 2.2031740 -0.4458401 -0.1500785 -0.3698482 1.9728110 -0.2402540 0.1400353 0.1510190 2.0257302 9 As 0.2395485 0.1554533 0.0928642 0.0468131 1.3469604 0.2577317 -0.1752865 -0.1616284 1.1364926 10 As 1.1701019 -0.0918808 -0.8569334 -0.1066951 1.3189620 0.3394376 -1.0865781 0.3762543 1.0908831 11 As 2.2031740 0.4458401 -0.1500785 0.3698482 1.9728110 0.2402540 0.1400353 -0.1510190 2.0257302 12 As 1.6821580 -0.2000430 0.4293732 -0.0919323 0.8442823 -0.8894853 0.5780624 -0.7900291 1.6026442 13 As 0.2395485 -0.1554533 0.0928642 -0.0468131 1.3469604 -0.2577317 -0.1752865 0.1616284 1.1364926 14 As 2.2031740 0.4458401 -0.1500785 0.3698482 1.9728110 0.2402540 0.1400353 -0.1510190 2.0257302 15 As 0.2395485 0.1554533 0.0928642 0.0468131 1.3469604 0.2577317 -0.1752865 -0.1616284 1.1364926 16 As 1.6821580 0.2000430 0.4293732 0.0919323 0.8442823 0.8894853 0.5780624 0.7900291 1.6026442 17 S -1.5973105 -0.8719542 0.1648814 -0.9095783 -1.3782369 -0.4010321 -0.1988268 -0.1141813 -1.3977726 18 S -1.0338809 0.3946262 -0.3938886 0.3021438 -1.5360652 0.1536994 -0.1692630 0.2237866 -1.1755766 19 S -1.2135902 0.0520198 0.0820965 -0.0051963 -1.3927432 -0.8895727 0.1354868 -1.0201487 -1.5531198 20 S -1.2135902 -0.0520198 0.0820965 0.0051963 -1.3927432 0.8895727 0.1354868 1.0201487 -1.5531198 21 S -1.0338809 -0.3946262 -0.3938886 -0.3021438 -1.5360652 -0.1536994 -0.1692630 -0.2237866 -1.1755766 22 S -1.0338809 -0.3946262 -0.3938886 -0.3021438 -1.5360652 -0.1536994 -0.1692630 -0.2237866 -1.1755766 23 S -1.4502007 -0.1098825 0.6316852 0.1859717 -1.1759704 0.1358269 0.7763699 0.0356753 -1.7292811 24 S -1.5973105 -0.8719542 0.1648814 -0.9095783 -1.3782369 -0.4010321 -0.1988268 -0.1141813 -1.3977726 25 S -1.5973105 0.8719542 0.1648814 0.9095783 -1.3782369 0.4010321 -0.1988268 0.1141813 -1.3977726 26 S -1.4502007 0.1098825 0.6316852 -0.1859717 -1.1759704 -0.1358269 0.7763699 -0.0356753 -1.7292811 27 S -1.2135902 0.0520198 0.0820965 -0.0051963 -1.3927432 -0.8895727 0.1354868 -1.0201487 -1.5531198 28 S -1.2135902 -0.0520198 0.0820965 0.0051963 -1.3927432 0.8895727 0.1354868 1.0201487 -1.5531198 29 S -1.5973105 0.8719542 0.1648814 0.9095783 -1.3782369 0.4010321 -0.1988268 0.1141813 -1.3977726 30 S -1.0338809 0.3946262 -0.3938886 0.3021438 -1.5360652 0.1536994 -0.1692630 0.2237866 -1.1755766 31 S -1.4502007 -0.1098825 0.6316852 0.1859717 -1.1759704 0.1358269 0.7763699 0.0356753 -1.7292811 32 S -1.4502007 0.1098825 0.6316852 -0.1859717 -1.1759704 -0.1358269 0.7763699 -0.0356753 -1.7292811 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.437 Solver_block: 200 / 960 - Time: 1.268 Solver_block: 300 / 960 - Time: 1.273 Solver_block: 400 / 960 - Time: 1.274 Solver_block: 500 / 960 - Time: 1.263 Solver_block: 600 / 960 - Time: 1.271 Solver_block: 700 / 960 - Time: 1.273 Solver_block: 800 / 960 - Time: 1.273 Solver_block: 900 / 960 - Time: 1.271 Solver_block: 960 / 960 - Time: 0.854 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.825 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xz) 0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:33:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:33:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.835641213419056 0.000000000000000 0.000000000000000 b 0.000000000000000 9.323999460000000 0.000000000000000 c -1.113888664287034 0.000000000000000 8.232292122546138 Atomic positions (fractional): 1 As 0.81944236960431 0.13908752293825 0.03392609220895 74.922 2 As 0.87264453676848 0.64994358722086 0.84653757522023 74.922 3 As 0.87264453676848 0.85005641277914 0.34653757522023 74.922 4 As 0.35558878513959 0.33343646063378 0.33376383917626 74.922 5 As 0.57783081769137 0.45577235859849 0.82832556750150 74.922 6 As 0.57783081769137 0.04422764140151 0.32832556750150 74.922 7 As 0.12735546323152 0.14994358722086 0.65346242477977 74.922 8 As 0.18055763039569 0.86091247706175 0.96607390779105 74.922 9 As 0.64441121486041 0.83343646063378 0.16623616082375 74.922 10 As 0.12735546323152 0.35005641277914 0.15346242477977 74.922 11 As 0.81944236960431 0.36091247706175 0.53392609220895 74.922 12 As 0.42216918230863 0.95577235859849 0.67167443249850 74.922 13 As 0.64441121486041 0.66656353936622 0.66623616082375 74.922 14 As 0.18055763039569 0.63908752293825 0.46607390779105 74.922 15 As 0.35558878513959 0.16656353936622 0.83376383917625 74.922 16 As 0.42216918230863 0.54422764140151 0.17167443249850 74.922 17 S 0.75700572480989 0.52293607706616 0.01904460346262 32.065 18 S 0.69248649120642 0.55851934380136 0.44415498297705 32.065 19 S 0.02514631274166 0.52165854667707 0.28575589593741 32.065 20 S 0.97485368725834 0.02165854667707 0.21424410406260 32.065 21 S 0.30751350879358 0.05851934380136 0.05584501702295 32.065 22 S 0.69248649120642 0.94148065619864 0.94415498297705 32.065 23 S 0.33601364205998 0.72581031053814 0.30890270083956 32.065 24 S 0.24299427519011 0.47706392293384 0.98095539653738 32.065 25 S 0.75700572480989 0.97706392293384 0.51904460346262 32.065 26 S 0.33601364205998 0.77418968946186 0.80890270083956 32.065 27 S 0.97485368725834 0.47834145332293 0.71424410406259 32.065 28 S 0.02514631274166 0.97834145332293 0.78575589593741 32.065 29 S 0.24299427519011 0.02293607706616 0.48095539653738 32.065 30 S 0.30751350879358 0.44148065619864 0.55584501702295 32.065 31 S 0.66398635794002 0.27418968946186 0.69109729916044 32.065 32 S 0.66398635794002 0.22581031053814 0.19109729916044 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.835641213419056 0.000000000000000 0.000000000000000 b 0.000000000000000 18.647998919999999 0.000000000000000 c -2.227777328574068 0.000000000000000 16.464584245092276 Atomic positions (fractional): 1 As 0.81944236960431 0.06954376146912 0.01696304610448 74.922 > 1 2 As 0.81944236960431 0.56954376146912 0.01696304610448 74.922 > 1 3 As 0.81944236960431 0.06954376146912 0.51696304610447 74.922 > 1 4 As 0.81944236960431 0.56954376146912 0.51696304610447 74.922 > 1 5 As 0.87264453676848 0.32497179361043 0.42326878761012 74.922 > 5 6 As 0.87264453676848 0.82497179361043 0.42326878761012 74.922 > 5 7 As 0.87264453676848 0.32497179361043 0.92326878761012 74.922 > 5 8 As 0.87264453676848 0.82497179361043 0.92326878761012 74.922 > 5 9 As 0.87264453676848 0.42502820638957 0.17326878761012 74.922 > 9 10 As 0.87264453676848 0.92502820638957 0.17326878761012 74.922 > 9 11 As 0.87264453676848 0.42502820638957 0.67326878761012 74.922 > 9 12 As 0.87264453676848 0.92502820638957 0.67326878761012 74.922 > 9 13 As 0.35558878513959 0.16671823031689 0.16688191958813 74.922 > 13 14 As 0.35558878513959 0.66671823031689 0.16688191958813 74.922 > 13 15 As 0.35558878513959 0.16671823031689 0.66688191958813 74.922 > 13 16 As 0.35558878513959 0.66671823031689 0.66688191958813 74.922 > 13 17 As 0.57783081769137 0.22788617929924 0.41416278375075 74.922 > 17 18 As 0.57783081769137 0.72788617929924 0.41416278375075 74.922 > 17 19 As 0.57783081769137 0.22788617929924 0.91416278375075 74.922 > 17 20 As 0.57783081769137 0.72788617929924 0.91416278375075 74.922 > 17 21 As 0.57783081769137 0.02211382070076 0.16416278375075 74.922 > 21 22 As 0.57783081769137 0.52211382070076 0.16416278375075 74.922 > 21 23 As 0.57783081769137 0.02211382070076 0.66416278375075 74.922 > 21 24 As 0.57783081769137 0.52211382070076 0.66416278375075 74.922 > 21 25 As 0.12735546323152 0.07497179361043 0.32673121238988 74.922 > 25 26 As 0.12735546323152 0.57497179361043 0.32673121238988 74.922 > 25 27 As 0.12735546323152 0.07497179361043 0.82673121238988 74.922 > 25 28 As 0.12735546323152 0.57497179361043 0.82673121238988 74.922 > 25 29 As 0.18055763039569 0.43045623853088 0.48303695389553 74.922 > 29 30 As 0.18055763039569 0.93045623853088 0.48303695389553 74.922 > 29 31 As 0.18055763039569 0.43045623853088 0.98303695389553 74.922 > 29 32 As 0.18055763039569 0.93045623853088 0.98303695389553 74.922 > 29 33 As 0.64441121486041 0.41671823031689 0.08311808041187 74.922 > 33 34 As 0.64441121486041 0.91671823031689 0.08311808041187 74.922 > 33 35 As 0.64441121486041 0.41671823031689 0.58311808041187 74.922 > 33 36 As 0.64441121486041 0.91671823031689 0.58311808041187 74.922 > 33 37 As 0.12735546323152 0.17502820638957 0.07673121238988 74.922 > 37 38 As 0.12735546323152 0.67502820638957 0.07673121238988 74.922 > 37 39 As 0.12735546323152 0.17502820638957 0.57673121238988 74.922 > 37 40 As 0.12735546323152 0.67502820638957 0.57673121238988 74.922 > 37 41 As 0.81944236960431 0.18045623853088 0.26696304610447 74.922 > 41 42 As 0.81944236960431 0.68045623853088 0.26696304610447 74.922 > 41 43 As 0.81944236960431 0.18045623853088 0.76696304610447 74.922 > 41 44 As 0.81944236960431 0.68045623853088 0.76696304610447 74.922 > 41 45 As 0.42216918230863 0.47788617929924 0.33583721624925 74.922 > 45 46 As 0.42216918230863 0.97788617929924 0.33583721624925 74.922 > 45 47 As 0.42216918230863 0.47788617929924 0.83583721624925 74.922 > 45 48 As 0.42216918230863 0.97788617929924 0.83583721624925 74.922 > 45 49 As 0.64441121486041 0.33328176968311 0.33311808041187 74.922 > 49 50 As 0.64441121486041 0.83328176968311 0.33311808041187 74.922 > 49 51 As 0.64441121486041 0.33328176968311 0.83311808041187 74.922 > 49 52 As 0.64441121486041 0.83328176968311 0.83311808041187 74.922 > 49 53 As 0.18055763039569 0.31954376146912 0.23303695389553 74.922 > 53 54 As 0.18055763039569 0.81954376146912 0.23303695389553 74.922 > 53 55 As 0.18055763039569 0.31954376146912 0.73303695389553 74.922 > 53 56 As 0.18055763039569 0.81954376146912 0.73303695389553 74.922 > 53 57 As 0.35558878513959 0.08328176968311 0.41688191958813 74.922 > 57 58 As 0.35558878513959 0.58328176968311 0.41688191958813 74.922 > 57 59 As 0.35558878513959 0.08328176968311 0.91688191958813 74.922 > 57 60 As 0.35558878513959 0.58328176968311 0.91688191958813 74.922 > 57 61 As 0.42216918230863 0.27211382070076 0.08583721624925 74.922 > 61 62 As 0.42216918230863 0.77211382070076 0.08583721624925 74.922 > 61 63 As 0.42216918230863 0.27211382070076 0.58583721624925 74.922 > 61 64 As 0.42216918230863 0.77211382070076 0.58583721624925 74.922 > 61 65 S 0.75700572480989 0.26146803853308 0.00952230173131 32.065 > 65 66 S 0.75700572480989 0.76146803853308 0.00952230173131 32.065 > 65 67 S 0.75700572480989 0.26146803853308 0.50952230173131 32.065 > 65 68 S 0.75700572480989 0.76146803853308 0.50952230173131 32.065 > 65 69 S 0.69248649120642 0.27925967190068 0.22207749148852 32.065 > 69 70 S 0.69248649120642 0.77925967190068 0.22207749148852 32.065 > 69 71 S 0.69248649120642 0.27925967190068 0.72207749148852 32.065 > 69 72 S 0.69248649120642 0.77925967190068 0.72207749148852 32.065 > 69 73 S 0.02514631274166 0.26082927333853 0.14287794796870 32.065 > 73 74 S 0.02514631274166 0.76082927333853 0.14287794796870 32.065 > 73 75 S 0.02514631274166 0.26082927333853 0.64287794796870 32.065 > 73 76 S 0.02514631274166 0.76082927333853 0.64287794796870 32.065 > 73 77 S 0.97485368725834 0.01082927333853 0.10712205203130 32.065 > 77 78 S 0.97485368725834 0.51082927333853 0.10712205203130 32.065 > 77 79 S 0.97485368725834 0.01082927333853 0.60712205203130 32.065 > 77 80 S 0.97485368725834 0.51082927333853 0.60712205203130 32.065 > 77 81 S 0.30751350879358 0.02925967190068 0.02792250851148 32.065 > 81 82 S 0.30751350879358 0.52925967190068 0.02792250851148 32.065 > 81 83 S 0.30751350879358 0.02925967190068 0.52792250851148 32.065 > 81 84 S 0.30751350879358 0.52925967190068 0.52792250851148 32.065 > 81 85 S 0.69248649120642 0.47074032809932 0.47207749148852 32.065 > 85 86 S 0.69248649120642 0.97074032809932 0.47207749148852 32.065 > 85 87 S 0.69248649120642 0.47074032809932 0.97207749148852 32.065 > 85 88 S 0.69248649120642 0.97074032809932 0.97207749148852 32.065 > 85 89 S 0.33601364205998 0.36290515526907 0.15445135041978 32.065 > 89 90 S 0.33601364205998 0.86290515526907 0.15445135041978 32.065 > 89 91 S 0.33601364205998 0.36290515526907 0.65445135041978 32.065 > 89 92 S 0.33601364205998 0.86290515526907 0.65445135041978 32.065 > 89 93 S 0.24299427519011 0.23853196146692 0.49047769826869 32.065 > 93 94 S 0.24299427519011 0.73853196146692 0.49047769826869 32.065 > 93 95 S 0.24299427519011 0.23853196146692 0.99047769826869 32.065 > 93 96 S 0.24299427519011 0.73853196146692 0.99047769826869 32.065 > 93 97 S 0.75700572480989 0.48853196146692 0.25952230173131 32.065 > 97 98 S 0.75700572480989 0.98853196146692 0.25952230173131 32.065 > 97 99 S 0.75700572480989 0.48853196146692 0.75952230173131 32.065 > 97 100 S 0.75700572480989 0.98853196146692 0.75952230173131 32.065 > 97 101 S 0.33601364205998 0.38709484473093 0.40445135041978 32.065 > 101 102 S 0.33601364205998 0.88709484473093 0.40445135041978 32.065 > 101 103 S 0.33601364205998 0.38709484473093 0.90445135041978 32.065 > 101 104 S 0.33601364205998 0.88709484473093 0.90445135041978 32.065 > 101 105 S 0.97485368725834 0.23917072666147 0.35712205203130 32.065 > 105 106 S 0.97485368725834 0.73917072666147 0.35712205203130 32.065 > 105 107 S 0.97485368725834 0.23917072666147 0.85712205203130 32.065 > 105 108 S 0.97485368725834 0.73917072666147 0.85712205203130 32.065 > 105 109 S 0.02514631274166 0.48917072666147 0.39287794796870 32.065 > 109 110 S 0.02514631274166 0.98917072666147 0.39287794796870 32.065 > 109 111 S 0.02514631274166 0.48917072666147 0.89287794796870 32.065 > 109 112 S 0.02514631274166 0.98917072666147 0.89287794796870 32.065 > 109 113 S 0.24299427519011 0.01146803853308 0.24047769826869 32.065 > 113 114 S 0.24299427519011 0.51146803853308 0.24047769826869 32.065 > 113 115 S 0.24299427519011 0.01146803853308 0.74047769826869 32.065 > 113 116 S 0.24299427519011 0.51146803853308 0.74047769826869 32.065 > 113 117 S 0.30751350879358 0.22074032809932 0.27792250851148 32.065 > 117 118 S 0.30751350879358 0.72074032809932 0.27792250851148 32.065 > 117 119 S 0.30751350879358 0.22074032809932 0.77792250851148 32.065 > 117 120 S 0.30751350879358 0.72074032809932 0.77792250851148 32.065 > 117 121 S 0.66398635794002 0.13709484473093 0.34554864958022 32.065 > 121 122 S 0.66398635794002 0.63709484473093 0.34554864958022 32.065 > 121 123 S 0.66398635794002 0.13709484473093 0.84554864958022 32.065 > 121 124 S 0.66398635794002 0.63709484473093 0.84554864958022 32.065 > 121 125 S 0.66398635794002 0.11290515526907 0.09554864958022 32.065 > 125 126 S 0.66398635794002 0.61290515526907 0.09554864958022 32.065 > 125 127 S 0.66398635794002 0.11290515526907 0.59554864958022 32.065 > 125 128 S 0.66398635794002 0.61290515526907 0.59554864958022 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6250302 0.0000000 -0.0004788 0.0000000 8.6473729 0.0000000 -0.0004798 0.0000000 8.4662811 -------------------------- Born effective charges -------------------------- 1 As 2.2031740 -0.4458401 -0.1500785 -0.3698482 1.9728110 -0.2402540 0.1400353 0.1510190 2.0257302 2 As 1.1701019 -0.0918808 -0.8569334 -0.1066951 1.3189620 0.3394376 -1.0865781 0.3762543 1.0908831 3 As 1.1701019 0.0918808 -0.8569334 0.1066951 1.3189620 -0.3394376 -1.0865781 -0.3762543 1.0908831 4 As 0.2395485 -0.1554533 0.0928642 -0.0468131 1.3469604 -0.2577317 -0.1752865 0.1616284 1.1364926 5 As 1.6821580 0.2000430 0.4293732 0.0919323 0.8442823 0.8894853 0.5780624 0.7900291 1.6026442 6 As 1.6821580 -0.2000430 0.4293732 -0.0919323 0.8442823 -0.8894853 0.5780624 -0.7900291 1.6026442 7 As 1.1701019 0.0918808 -0.8569334 0.1066951 1.3189620 -0.3394376 -1.0865781 -0.3762543 1.0908831 8 As 2.2031740 -0.4458401 -0.1500785 -0.3698482 1.9728110 -0.2402540 0.1400353 0.1510190 2.0257302 9 As 0.2395485 0.1554533 0.0928642 0.0468131 1.3469604 0.2577317 -0.1752865 -0.1616284 1.1364926 10 As 1.1701019 -0.0918808 -0.8569334 -0.1066951 1.3189620 0.3394376 -1.0865781 0.3762543 1.0908831 11 As 2.2031740 0.4458401 -0.1500785 0.3698482 1.9728110 0.2402540 0.1400353 -0.1510190 2.0257302 12 As 1.6821580 -0.2000430 0.4293732 -0.0919323 0.8442823 -0.8894853 0.5780624 -0.7900291 1.6026442 13 As 0.2395485 -0.1554533 0.0928642 -0.0468131 1.3469604 -0.2577317 -0.1752865 0.1616284 1.1364926 14 As 2.2031740 0.4458401 -0.1500785 0.3698482 1.9728110 0.2402540 0.1400353 -0.1510190 2.0257302 15 As 0.2395485 0.1554533 0.0928642 0.0468131 1.3469604 0.2577317 -0.1752865 -0.1616284 1.1364926 16 As 1.6821580 0.2000430 0.4293732 0.0919323 0.8442823 0.8894853 0.5780624 0.7900291 1.6026442 17 S -1.5973105 -0.8719542 0.1648814 -0.9095783 -1.3782369 -0.4010321 -0.1988268 -0.1141813 -1.3977726 18 S -1.0338809 0.3946262 -0.3938886 0.3021438 -1.5360652 0.1536994 -0.1692630 0.2237866 -1.1755766 19 S -1.2135902 0.0520198 0.0820965 -0.0051963 -1.3927432 -0.8895727 0.1354868 -1.0201487 -1.5531198 20 S -1.2135902 -0.0520198 0.0820965 0.0051963 -1.3927432 0.8895727 0.1354868 1.0201487 -1.5531198 21 S -1.0338809 -0.3946262 -0.3938886 -0.3021438 -1.5360652 -0.1536994 -0.1692630 -0.2237866 -1.1755766 22 S -1.0338809 -0.3946262 -0.3938886 -0.3021438 -1.5360652 -0.1536994 -0.1692630 -0.2237866 -1.1755766 23 S -1.4502007 -0.1098825 0.6316852 0.1859717 -1.1759704 0.1358269 0.7763699 0.0356753 -1.7292811 24 S -1.5973105 -0.8719542 0.1648814 -0.9095783 -1.3782369 -0.4010321 -0.1988268 -0.1141813 -1.3977726 25 S -1.5973105 0.8719542 0.1648814 0.9095783 -1.3782369 0.4010321 -0.1988268 0.1141813 -1.3977726 26 S -1.4502007 0.1098825 0.6316852 -0.1859717 -1.1759704 -0.1358269 0.7763699 -0.0356753 -1.7292811 27 S -1.2135902 0.0520198 0.0820965 -0.0051963 -1.3927432 -0.8895727 0.1354868 -1.0201487 -1.5531198 28 S -1.2135902 -0.0520198 0.0820965 0.0051963 -1.3927432 0.8895727 0.1354868 1.0201487 -1.5531198 29 S -1.5973105 0.8719542 0.1648814 0.9095783 -1.3782369 0.4010321 -0.1988268 0.1141813 -1.3977726 30 S -1.0338809 0.3946262 -0.3938886 0.3021438 -1.5360652 0.1536994 -0.1692630 0.2237866 -1.1755766 31 S -1.4502007 -0.1098825 0.6316852 0.1859717 -1.1759704 0.1358269 0.7763699 0.0356753 -1.7292811 32 S -1.4502007 0.1098825 0.6316852 -0.1859717 -1.1759704 -0.1358269 0.7763699 -0.0356753 -1.7292811 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:34:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:34:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.835641213419056 0.000000000000000 0.000000000000000 b 0.000000000000000 9.323999460000000 0.000000000000000 c -1.113888664287034 0.000000000000000 8.232292122546138 Atomic positions (fractional): 1 As 0.81944236960431 0.13908752293825 0.03392609220895 74.922 2 As 0.87264453676848 0.64994358722086 0.84653757522023 74.922 3 As 0.87264453676848 0.85005641277914 0.34653757522023 74.922 4 As 0.35558878513959 0.33343646063378 0.33376383917626 74.922 5 As 0.57783081769137 0.45577235859849 0.82832556750150 74.922 6 As 0.57783081769137 0.04422764140151 0.32832556750150 74.922 7 As 0.12735546323152 0.14994358722086 0.65346242477977 74.922 8 As 0.18055763039569 0.86091247706175 0.96607390779105 74.922 9 As 0.64441121486041 0.83343646063378 0.16623616082375 74.922 10 As 0.12735546323152 0.35005641277914 0.15346242477977 74.922 11 As 0.81944236960431 0.36091247706175 0.53392609220895 74.922 12 As 0.42216918230863 0.95577235859849 0.67167443249850 74.922 13 As 0.64441121486041 0.66656353936622 0.66623616082375 74.922 14 As 0.18055763039569 0.63908752293825 0.46607390779105 74.922 15 As 0.35558878513959 0.16656353936622 0.83376383917625 74.922 16 As 0.42216918230863 0.54422764140151 0.17167443249850 74.922 17 S 0.75700572480989 0.52293607706616 0.01904460346262 32.065 18 S 0.69248649120642 0.55851934380136 0.44415498297705 32.065 19 S 0.02514631274166 0.52165854667707 0.28575589593741 32.065 20 S 0.97485368725834 0.02165854667707 0.21424410406260 32.065 21 S 0.30751350879358 0.05851934380136 0.05584501702295 32.065 22 S 0.69248649120642 0.94148065619864 0.94415498297705 32.065 23 S 0.33601364205998 0.72581031053814 0.30890270083956 32.065 24 S 0.24299427519011 0.47706392293384 0.98095539653738 32.065 25 S 0.75700572480989 0.97706392293384 0.51904460346262 32.065 26 S 0.33601364205998 0.77418968946186 0.80890270083956 32.065 27 S 0.97485368725834 0.47834145332293 0.71424410406259 32.065 28 S 0.02514631274166 0.97834145332293 0.78575589593741 32.065 29 S 0.24299427519011 0.02293607706616 0.48095539653738 32.065 30 S 0.30751350879358 0.44148065619864 0.55584501702295 32.065 31 S 0.66398635794002 0.27418968946186 0.69109729916044 32.065 32 S 0.66398635794002 0.22581031053814 0.19109729916044 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.835641213419056 0.000000000000000 0.000000000000000 b 0.000000000000000 18.647998919999999 0.000000000000000 c -2.227777328574068 0.000000000000000 16.464584245092276 Atomic positions (fractional): 1 As 0.81944236960431 0.06954376146912 0.01696304610448 74.922 > 1 2 As 0.81944236960431 0.56954376146912 0.01696304610448 74.922 > 1 3 As 0.81944236960431 0.06954376146912 0.51696304610447 74.922 > 1 4 As 0.81944236960431 0.56954376146912 0.51696304610447 74.922 > 1 5 As 0.87264453676848 0.32497179361043 0.42326878761012 74.922 > 5 6 As 0.87264453676848 0.82497179361043 0.42326878761012 74.922 > 5 7 As 0.87264453676848 0.32497179361043 0.92326878761012 74.922 > 5 8 As 0.87264453676848 0.82497179361043 0.92326878761012 74.922 > 5 9 As 0.87264453676848 0.42502820638957 0.17326878761012 74.922 > 9 10 As 0.87264453676848 0.92502820638957 0.17326878761012 74.922 > 9 11 As 0.87264453676848 0.42502820638957 0.67326878761012 74.922 > 9 12 As 0.87264453676848 0.92502820638957 0.67326878761012 74.922 > 9 13 As 0.35558878513959 0.16671823031689 0.16688191958813 74.922 > 13 14 As 0.35558878513959 0.66671823031689 0.16688191958813 74.922 > 13 15 As 0.35558878513959 0.16671823031689 0.66688191958813 74.922 > 13 16 As 0.35558878513959 0.66671823031689 0.66688191958813 74.922 > 13 17 As 0.57783081769137 0.22788617929924 0.41416278375075 74.922 > 17 18 As 0.57783081769137 0.72788617929924 0.41416278375075 74.922 > 17 19 As 0.57783081769137 0.22788617929924 0.91416278375075 74.922 > 17 20 As 0.57783081769137 0.72788617929924 0.91416278375075 74.922 > 17 21 As 0.57783081769137 0.02211382070076 0.16416278375075 74.922 > 21 22 As 0.57783081769137 0.52211382070076 0.16416278375075 74.922 > 21 23 As 0.57783081769137 0.02211382070076 0.66416278375075 74.922 > 21 24 As 0.57783081769137 0.52211382070076 0.66416278375075 74.922 > 21 25 As 0.12735546323152 0.07497179361043 0.32673121238988 74.922 > 25 26 As 0.12735546323152 0.57497179361043 0.32673121238988 74.922 > 25 27 As 0.12735546323152 0.07497179361043 0.82673121238988 74.922 > 25 28 As 0.12735546323152 0.57497179361043 0.82673121238988 74.922 > 25 29 As 0.18055763039569 0.43045623853088 0.48303695389553 74.922 > 29 30 As 0.18055763039569 0.93045623853088 0.48303695389553 74.922 > 29 31 As 0.18055763039569 0.43045623853088 0.98303695389553 74.922 > 29 32 As 0.18055763039569 0.93045623853088 0.98303695389553 74.922 > 29 33 As 0.64441121486041 0.41671823031689 0.08311808041187 74.922 > 33 34 As 0.64441121486041 0.91671823031689 0.08311808041187 74.922 > 33 35 As 0.64441121486041 0.41671823031689 0.58311808041187 74.922 > 33 36 As 0.64441121486041 0.91671823031689 0.58311808041187 74.922 > 33 37 As 0.12735546323152 0.17502820638957 0.07673121238988 74.922 > 37 38 As 0.12735546323152 0.67502820638957 0.07673121238988 74.922 > 37 39 As 0.12735546323152 0.17502820638957 0.57673121238988 74.922 > 37 40 As 0.12735546323152 0.67502820638957 0.57673121238988 74.922 > 37 41 As 0.81944236960431 0.18045623853088 0.26696304610447 74.922 > 41 42 As 0.81944236960431 0.68045623853088 0.26696304610447 74.922 > 41 43 As 0.81944236960431 0.18045623853088 0.76696304610447 74.922 > 41 44 As 0.81944236960431 0.68045623853088 0.76696304610447 74.922 > 41 45 As 0.42216918230863 0.47788617929924 0.33583721624925 74.922 > 45 46 As 0.42216918230863 0.97788617929924 0.33583721624925 74.922 > 45 47 As 0.42216918230863 0.47788617929924 0.83583721624925 74.922 > 45 48 As 0.42216918230863 0.97788617929924 0.83583721624925 74.922 > 45 49 As 0.64441121486041 0.33328176968311 0.33311808041187 74.922 > 49 50 As 0.64441121486041 0.83328176968311 0.33311808041187 74.922 > 49 51 As 0.64441121486041 0.33328176968311 0.83311808041187 74.922 > 49 52 As 0.64441121486041 0.83328176968311 0.83311808041187 74.922 > 49 53 As 0.18055763039569 0.31954376146912 0.23303695389553 74.922 > 53 54 As 0.18055763039569 0.81954376146912 0.23303695389553 74.922 > 53 55 As 0.18055763039569 0.31954376146912 0.73303695389553 74.922 > 53 56 As 0.18055763039569 0.81954376146912 0.73303695389553 74.922 > 53 57 As 0.35558878513959 0.08328176968311 0.41688191958813 74.922 > 57 58 As 0.35558878513959 0.58328176968311 0.41688191958813 74.922 > 57 59 As 0.35558878513959 0.08328176968311 0.91688191958813 74.922 > 57 60 As 0.35558878513959 0.58328176968311 0.91688191958813 74.922 > 57 61 As 0.42216918230863 0.27211382070076 0.08583721624925 74.922 > 61 62 As 0.42216918230863 0.77211382070076 0.08583721624925 74.922 > 61 63 As 0.42216918230863 0.27211382070076 0.58583721624925 74.922 > 61 64 As 0.42216918230863 0.77211382070076 0.58583721624925 74.922 > 61 65 S 0.75700572480989 0.26146803853308 0.00952230173131 32.065 > 65 66 S 0.75700572480989 0.76146803853308 0.00952230173131 32.065 > 65 67 S 0.75700572480989 0.26146803853308 0.50952230173131 32.065 > 65 68 S 0.75700572480989 0.76146803853308 0.50952230173131 32.065 > 65 69 S 0.69248649120642 0.27925967190068 0.22207749148852 32.065 > 69 70 S 0.69248649120642 0.77925967190068 0.22207749148852 32.065 > 69 71 S 0.69248649120642 0.27925967190068 0.72207749148852 32.065 > 69 72 S 0.69248649120642 0.77925967190068 0.72207749148852 32.065 > 69 73 S 0.02514631274166 0.26082927333853 0.14287794796870 32.065 > 73 74 S 0.02514631274166 0.76082927333853 0.14287794796870 32.065 > 73 75 S 0.02514631274166 0.26082927333853 0.64287794796870 32.065 > 73 76 S 0.02514631274166 0.76082927333853 0.64287794796870 32.065 > 73 77 S 0.97485368725834 0.01082927333853 0.10712205203130 32.065 > 77 78 S 0.97485368725834 0.51082927333853 0.10712205203130 32.065 > 77 79 S 0.97485368725834 0.01082927333853 0.60712205203130 32.065 > 77 80 S 0.97485368725834 0.51082927333853 0.60712205203130 32.065 > 77 81 S 0.30751350879358 0.02925967190068 0.02792250851148 32.065 > 81 82 S 0.30751350879358 0.52925967190068 0.02792250851148 32.065 > 81 83 S 0.30751350879358 0.02925967190068 0.52792250851148 32.065 > 81 84 S 0.30751350879358 0.52925967190068 0.52792250851148 32.065 > 81 85 S 0.69248649120642 0.47074032809932 0.47207749148852 32.065 > 85 86 S 0.69248649120642 0.97074032809932 0.47207749148852 32.065 > 85 87 S 0.69248649120642 0.47074032809932 0.97207749148852 32.065 > 85 88 S 0.69248649120642 0.97074032809932 0.97207749148852 32.065 > 85 89 S 0.33601364205998 0.36290515526907 0.15445135041978 32.065 > 89 90 S 0.33601364205998 0.86290515526907 0.15445135041978 32.065 > 89 91 S 0.33601364205998 0.36290515526907 0.65445135041978 32.065 > 89 92 S 0.33601364205998 0.86290515526907 0.65445135041978 32.065 > 89 93 S 0.24299427519011 0.23853196146692 0.49047769826869 32.065 > 93 94 S 0.24299427519011 0.73853196146692 0.49047769826869 32.065 > 93 95 S 0.24299427519011 0.23853196146692 0.99047769826869 32.065 > 93 96 S 0.24299427519011 0.73853196146692 0.99047769826869 32.065 > 93 97 S 0.75700572480989 0.48853196146692 0.25952230173131 32.065 > 97 98 S 0.75700572480989 0.98853196146692 0.25952230173131 32.065 > 97 99 S 0.75700572480989 0.48853196146692 0.75952230173131 32.065 > 97 100 S 0.75700572480989 0.98853196146692 0.75952230173131 32.065 > 97 101 S 0.33601364205998 0.38709484473093 0.40445135041978 32.065 > 101 102 S 0.33601364205998 0.88709484473093 0.40445135041978 32.065 > 101 103 S 0.33601364205998 0.38709484473093 0.90445135041978 32.065 > 101 104 S 0.33601364205998 0.88709484473093 0.90445135041978 32.065 > 101 105 S 0.97485368725834 0.23917072666147 0.35712205203130 32.065 > 105 106 S 0.97485368725834 0.73917072666147 0.35712205203130 32.065 > 105 107 S 0.97485368725834 0.23917072666147 0.85712205203130 32.065 > 105 108 S 0.97485368725834 0.73917072666147 0.85712205203130 32.065 > 105 109 S 0.02514631274166 0.48917072666147 0.39287794796870 32.065 > 109 110 S 0.02514631274166 0.98917072666147 0.39287794796870 32.065 > 109 111 S 0.02514631274166 0.48917072666147 0.89287794796870 32.065 > 109 112 S 0.02514631274166 0.98917072666147 0.89287794796870 32.065 > 109 113 S 0.24299427519011 0.01146803853308 0.24047769826869 32.065 > 113 114 S 0.24299427519011 0.51146803853308 0.24047769826869 32.065 > 113 115 S 0.24299427519011 0.01146803853308 0.74047769826869 32.065 > 113 116 S 0.24299427519011 0.51146803853308 0.74047769826869 32.065 > 113 117 S 0.30751350879358 0.22074032809932 0.27792250851148 32.065 > 117 118 S 0.30751350879358 0.72074032809932 0.27792250851148 32.065 > 117 119 S 0.30751350879358 0.22074032809932 0.77792250851148 32.065 > 117 120 S 0.30751350879358 0.72074032809932 0.77792250851148 32.065 > 117 121 S 0.66398635794002 0.13709484473093 0.34554864958022 32.065 > 121 122 S 0.66398635794002 0.63709484473093 0.34554864958022 32.065 > 121 123 S 0.66398635794002 0.13709484473093 0.84554864958022 32.065 > 121 124 S 0.66398635794002 0.63709484473093 0.84554864958022 32.065 > 121 125 S 0.66398635794002 0.11290515526907 0.09554864958022 32.065 > 125 126 S 0.66398635794002 0.61290515526907 0.09554864958022 32.065 > 125 127 S 0.66398635794002 0.11290515526907 0.59554864958022 32.065 > 125 128 S 0.66398635794002 0.61290515526907 0.59554864958022 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.6250302 0.0000000 -0.0004788 0.0000000 8.6473729 0.0000000 -0.0004798 0.0000000 8.4662811 -------------------------- Born effective charges -------------------------- 1 As 2.2031740 -0.4458401 -0.1500785 -0.3698482 1.9728110 -0.2402540 0.1400353 0.1510190 2.0257302 2 As 1.1701019 -0.0918808 -0.8569334 -0.1066951 1.3189620 0.3394376 -1.0865781 0.3762543 1.0908831 3 As 1.1701019 0.0918808 -0.8569334 0.1066951 1.3189620 -0.3394376 -1.0865781 -0.3762543 1.0908831 4 As 0.2395485 -0.1554533 0.0928642 -0.0468131 1.3469604 -0.2577317 -0.1752865 0.1616284 1.1364926 5 As 1.6821580 0.2000430 0.4293732 0.0919323 0.8442823 0.8894853 0.5780624 0.7900291 1.6026442 6 As 1.6821580 -0.2000430 0.4293732 -0.0919323 0.8442823 -0.8894853 0.5780624 -0.7900291 1.6026442 7 As 1.1701019 0.0918808 -0.8569334 0.1066951 1.3189620 -0.3394376 -1.0865781 -0.3762543 1.0908831 8 As 2.2031740 -0.4458401 -0.1500785 -0.3698482 1.9728110 -0.2402540 0.1400353 0.1510190 2.0257302 9 As 0.2395485 0.1554533 0.0928642 0.0468131 1.3469604 0.2577317 -0.1752865 -0.1616284 1.1364926 10 As 1.1701019 -0.0918808 -0.8569334 -0.1066951 1.3189620 0.3394376 -1.0865781 0.3762543 1.0908831 11 As 2.2031740 0.4458401 -0.1500785 0.3698482 1.9728110 0.2402540 0.1400353 -0.1510190 2.0257302 12 As 1.6821580 -0.2000430 0.4293732 -0.0919323 0.8442823 -0.8894853 0.5780624 -0.7900291 1.6026442 13 As 0.2395485 -0.1554533 0.0928642 -0.0468131 1.3469604 -0.2577317 -0.1752865 0.1616284 1.1364926 14 As 2.2031740 0.4458401 -0.1500785 0.3698482 1.9728110 0.2402540 0.1400353 -0.1510190 2.0257302 15 As 0.2395485 0.1554533 0.0928642 0.0468131 1.3469604 0.2577317 -0.1752865 -0.1616284 1.1364926 16 As 1.6821580 0.2000430 0.4293732 0.0919323 0.8442823 0.8894853 0.5780624 0.7900291 1.6026442 17 S -1.5973105 -0.8719542 0.1648814 -0.9095783 -1.3782369 -0.4010321 -0.1988268 -0.1141813 -1.3977726 18 S -1.0338809 0.3946262 -0.3938886 0.3021438 -1.5360652 0.1536994 -0.1692630 0.2237866 -1.1755766 19 S -1.2135902 0.0520198 0.0820965 -0.0051963 -1.3927432 -0.8895727 0.1354868 -1.0201487 -1.5531198 20 S -1.2135902 -0.0520198 0.0820965 0.0051963 -1.3927432 0.8895727 0.1354868 1.0201487 -1.5531198 21 S -1.0338809 -0.3946262 -0.3938886 -0.3021438 -1.5360652 -0.1536994 -0.1692630 -0.2237866 -1.1755766 22 S -1.0338809 -0.3946262 -0.3938886 -0.3021438 -1.5360652 -0.1536994 -0.1692630 -0.2237866 -1.1755766 23 S -1.4502007 -0.1098825 0.6316852 0.1859717 -1.1759704 0.1358269 0.7763699 0.0356753 -1.7292811 24 S -1.5973105 -0.8719542 0.1648814 -0.9095783 -1.3782369 -0.4010321 -0.1988268 -0.1141813 -1.3977726 25 S -1.5973105 0.8719542 0.1648814 0.9095783 -1.3782369 0.4010321 -0.1988268 0.1141813 -1.3977726 26 S -1.4502007 0.1098825 0.6316852 -0.1859717 -1.1759704 -0.1358269 0.7763699 -0.0356753 -1.7292811 27 S -1.2135902 0.0520198 0.0820965 -0.0051963 -1.3927432 -0.8895727 0.1354868 -1.0201487 -1.5531198 28 S -1.2135902 -0.0520198 0.0820965 0.0051963 -1.3927432 0.8895727 0.1354868 1.0201487 -1.5531198 29 S -1.5973105 0.8719542 0.1648814 0.9095783 -1.3782369 0.4010321 -0.1988268 0.1141813 -1.3977726 30 S -1.0338809 0.3946262 -0.3938886 0.3021438 -1.5360652 0.1536994 -0.1692630 0.2237866 -1.1755766 31 S -1.4502007 -0.1098825 0.6316852 0.1859717 -1.1759704 0.1358269 0.7763699 0.0356753 -1.7292811 32 S -1.4502007 0.1098825 0.6316852 -0.1859717 -1.1759704 -0.1358269 0.7763699 -0.0356753 -1.7292811 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 5 6 ] 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: 0.46, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.854 ( 0.000 0.000 0.000) 0.000 0.912 ( 0.000 0.000 0.000) 0.000 0.955 ( 0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.009 ( 0.000 0.000 0.000) 0.000 1.227 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.478 ( 0.000 0.000 0.000) 0.000 1.497 ( 0.000 0.000 0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.724 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 9.064 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.238 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 9.428 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 9.834 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 9.904 ( 0.000 0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.634 ( 0.000 0.000 0.000) 0.000 10.696 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 11.136 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 0.000) 0.000 11.187 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 6.173 0.000 9.178) 11.061 0.340 ( 16.225 0.000 -2.533) 16.421 0.477 ( 19.170 0.000 9.506) 21.398 0.808 ( -2.034 0.000 -1.235) 2.379 0.886 ( -6.366 0.000 -0.309) 6.374 0.945 ( 2.092 0.000 0.011) 2.092 0.953 ( -0.527 0.000 1.632) 1.715 1.031 ( -0.638 0.000 2.806) 2.878 1.241 ( 0.678 0.000 -2.067) 2.176 1.257 ( -2.144 0.000 0.463) 2.194 1.377 ( -3.459 0.000 1.822) 3.910 1.399 ( -3.707 0.000 0.647) 3.763 1.443 ( -2.248 0.000 4.132) 4.704 1.474 ( 2.493 0.000 -1.709) 3.022 1.528 ( 0.578 0.000 2.151) 2.227 1.568 ( 2.370 0.000 0.404) 2.404 1.606 ( -1.551 0.000 1.741) 2.332 1.678 ( -2.109 0.000 4.046) 4.563 1.715 ( 1.485 0.000 -4.205) 4.460 1.767 ( -0.794 0.000 -0.734) 1.082 1.882 ( 2.918 0.000 0.937) 3.064 1.919 ( -1.593 0.000 -0.600) 1.702 1.999 ( -1.077 0.000 -3.203) 3.379 2.203 ( -2.411 0.000 -2.529) 3.494 3.350 ( -1.163 0.000 0.161) 1.174 3.382 ( 0.194 0.000 0.572) 0.604 3.399 ( 0.657 0.000 -0.333) 0.737 3.428 ( -0.247 0.000 -0.537) 0.591 3.547 ( 1.173 0.000 0.727) 1.380 3.557 ( 0.126 0.000 1.158) 1.164 3.647 ( -0.092 0.000 -0.804) 0.810 3.649 ( 0.565 0.000 -1.762) 1.850 3.935 ( 0.285 0.000 -0.863) 0.909 3.935 ( 1.212 0.000 -0.029) 1.212 4.057 ( -0.539 0.000 -0.783) 0.951 4.102 ( 0.199 0.000 -0.120) 0.232 4.200 ( 1.017 0.000 -0.900) 1.359 4.295 ( 0.800 0.000 1.638) 1.823 4.425 ( -2.600 0.000 1.478) 2.991 4.455 ( -2.623 0.000 -2.404) 3.558 4.733 ( 1.294 0.000 -0.033) 1.294 4.861 ( 0.408 0.000 -0.145) 0.433 4.909 ( 0.210 0.000 0.460) 0.505 4.936 ( -0.515 0.000 -0.327) 0.610 5.235 ( 0.490 0.000 0.119) 0.504 5.294 ( -0.472 0.000 -0.091) 0.480 5.404 ( 0.106 0.000 0.180) 0.209 5.506 ( 0.501 0.000 0.169) 0.528 5.544 ( 0.606 0.000 -0.574) 0.835 5.568 ( 0.993 0.000 0.103) 0.999 5.590 ( -0.772 0.000 1.281) 1.496 5.741 ( -0.952 0.000 -0.115) 0.958 6.187 ( 1.767 0.000 -0.667) 1.889 6.313 ( -1.248 0.000 1.315) 1.813 6.381 ( -0.132 0.000 -0.271) 0.302 6.400 ( 0.351 0.000 0.330) 0.481 6.636 ( -0.186 0.000 0.393) 0.435 6.647 ( 0.428 0.000 -0.223) 0.483 6.698 ( 0.198 0.000 0.028) 0.200 6.699 ( 0.152 0.000 0.108) 0.186 6.716 ( -0.508 0.000 -0.209) 0.549 6.744 ( -0.855 0.000 -0.048) 0.856 6.777 ( 0.146 0.000 -0.164) 0.220 6.787 ( 0.431 0.000 0.179) 0.466 8.578 ( 0.613 0.000 -1.271) 1.411 8.660 ( -0.368 0.000 1.651) 1.692 8.682 ( 1.054 0.000 -0.419) 1.135 8.736 ( -0.836 0.000 3.055) 3.167 8.800 ( 1.065 0.000 0.510) 1.181 8.814 ( 0.150 0.000 2.360) 2.364 8.870 ( -0.142 0.000 -0.578) 0.595 8.899 ( 0.431 0.000 -1.257) 1.329 9.075 ( 1.030 0.000 -0.202) 1.050 9.205 ( -1.248 0.000 0.277) 1.279 9.242 ( 0.300 0.000 0.193) 0.357 9.341 ( -0.908 0.000 4.718) 4.805 9.403 ( 0.222 0.000 0.708) 0.742 9.426 ( -0.188 0.000 0.163) 0.249 9.467 ( 0.219 0.000 -0.023) 0.220 9.488 ( 0.067 0.000 -3.478) 3.478 9.803 ( -2.320 0.000 -0.411) 2.356 9.810 ( -1.565 0.000 -1.271) 2.017 9.935 ( 1.661 0.000 -0.148) 1.667 9.936 ( 2.020 0.000 0.155) 2.026 10.240 ( -1.725 0.000 -1.178) 2.089 10.357 ( -0.322 0.000 -0.200) 0.379 10.366 ( 1.572 0.000 1.449) 2.138 10.378 ( 1.677 0.000 -12.576) 12.687 10.470 ( -0.515 0.000 -0.055) 0.518 10.638 ( 0.437 0.000 -0.239) 0.498 10.712 ( -1.606 0.000 5.545) 5.773 10.740 ( 0.788 0.000 0.134) 0.800 11.135 ( -0.014 0.000 -0.211) 0.211 11.147 ( 0.005 0.000 -1.800) 1.800 11.158 ( -0.253 0.000 -0.118) 0.279 11.183 ( -0.311 0.000 -0.138) 0.340 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( -2.291 0.000 5.078) 5.571 0.627 ( 11.826 0.000 -0.528) 11.838 0.660 ( -0.179 0.000 1.282) 1.294 0.789 ( -1.780 0.000 -0.960) 2.022 0.913 ( -3.128 0.000 2.019) 3.723 0.945 ( 7.573 0.000 2.883) 8.103 0.997 ( -1.562 0.000 -0.656) 1.694 1.008 ( 5.066 0.000 -0.525) 5.093 1.191 ( -3.800 0.000 -0.735) 3.870 1.242 ( 0.575 0.000 -1.053) 1.200 1.301 ( -4.435 0.000 1.523) 4.689 1.342 ( -0.352 0.000 4.134) 4.149 1.452 ( 0.539 0.000 0.669) 0.859 1.506 ( -3.898 0.000 -1.636) 4.228 1.543 ( 1.875 0.000 -1.440) 2.364 1.566 ( 1.648 0.000 6.056) 6.276 1.581 ( -0.930 0.000 1.165) 1.490 1.668 ( -2.618 0.000 2.667) 3.737 1.701 ( -0.773 0.000 -6.446) 6.492 1.717 ( -0.509 0.000 -2.262) 2.319 1.922 ( 0.832 0.000 3.369) 3.470 1.963 ( -1.040 0.000 -4.610) 4.726 1.967 ( 3.782 0.000 2.953) 4.798 2.131 ( -3.213 0.000 -3.147) 4.498 3.332 ( -0.525 0.000 0.100) 0.534 3.388 ( 0.148 0.000 0.505) 0.526 3.408 ( 0.219 0.000 -0.142) 0.261 3.422 ( -0.167 0.000 -0.480) 0.508 3.562 ( 0.047 0.000 0.772) 0.774 3.577 ( 1.170 0.000 0.923) 1.490 3.637 ( -0.535 0.000 -0.982) 1.118 3.655 ( 0.350 0.000 -1.034) 1.091 3.936 ( 0.129 0.000 -0.672) 0.684 3.966 ( 1.281 0.000 0.176) 1.293 4.039 ( -0.775 0.000 -0.539) 0.944 4.100 ( -0.223 0.000 0.132) 0.259 4.231 ( 1.795 0.000 -1.189) 2.153 4.324 ( 1.295 0.000 2.299) 2.639 4.371 ( -2.404 0.000 1.389) 2.777 4.391 ( -2.366 0.000 -2.545) 3.475 4.761 ( 0.997 0.000 0.089) 1.001 4.865 ( 0.098 0.000 -0.083) 0.128 4.915 ( 0.198 0.000 0.233) 0.305 4.922 ( -0.558 0.000 -0.264) 0.617 5.247 ( 0.504 0.000 0.070) 0.509 5.282 ( -0.488 0.000 -0.065) 0.492 5.405 ( -0.004 0.000 0.052) 0.052 5.516 ( 0.356 0.000 0.038) 0.358 5.558 ( 0.938 0.000 -1.284) 1.590 5.575 ( -0.998 0.000 1.509) 1.809 5.591 ( 0.849 0.000 0.092) 0.854 5.720 ( -0.824 0.000 -0.096) 0.830 6.230 ( 2.428 0.000 -1.061) 2.650 6.281 ( -2.074 0.000 1.216) 2.404 6.380 ( -0.017 0.000 -0.104) 0.106 6.407 ( 0.156 0.000 0.141) 0.211 6.634 ( -0.087 0.000 0.126) 0.153 6.656 ( 0.332 0.000 -0.038) 0.334 6.703 ( 0.116 0.000 0.244) 0.270 6.703 ( 0.295 0.000 0.029) 0.297 6.706 ( -0.260 0.000 -0.281) 0.383 6.725 ( -0.779 0.000 -0.159) 0.795 6.777 ( 0.003 0.000 -0.126) 0.126 6.796 ( 0.277 0.000 0.110) 0.298 8.588 ( 0.475 0.000 -0.932) 1.046 8.656 ( -0.366 0.000 1.122) 1.180 8.703 ( 0.942 0.000 -0.742) 1.199 8.726 ( -0.642 0.000 1.201) 1.361 8.823 ( 0.072 0.000 1.397) 1.398 8.830 ( 1.481 0.000 0.975) 1.774 8.858 ( -0.859 0.000 -0.973) 1.298 8.905 ( 0.318 0.000 -0.873) 0.929 9.099 ( 1.087 0.000 -0.214) 1.108 9.177 ( -1.226 0.000 0.262) 1.254 9.248 ( 0.207 0.000 0.133) 0.246 9.336 ( -0.314 0.000 0.978) 1.027 9.410 ( 0.212 0.000 0.528) 0.569 9.423 ( -0.058 0.000 0.123) 0.136 9.470 ( 0.089 0.000 -0.033) 0.095 9.479 ( -0.197 0.000 -1.138) 1.155 9.766 ( -1.022 0.000 -0.201) 1.041 9.782 ( -0.742 0.000 -0.532) 0.913 9.961 ( 0.722 0.000 0.227) 0.757 9.967 ( 0.823 0.000 0.032) 0.824 10.211 ( -0.728 0.000 -0.473) 0.869 10.350 ( -0.216 0.000 -0.077) 0.229 10.378 ( 0.382 0.000 -2.955) 2.980 10.392 ( 0.554 0.000 0.647) 0.851 10.461 ( -0.219 0.000 -0.035) 0.222 10.649 ( 0.508 0.000 -0.334) 0.608 10.694 ( -0.953 0.000 1.573) 1.839 10.755 ( 0.476 0.000 0.087) 0.484 11.135 ( 0.034 0.000 -0.153) 0.157 11.142 ( -0.133 0.000 -0.392) 0.414 11.153 ( -0.154 0.000 -0.074) 0.171 11.177 ( -0.206 0.000 -0.089) 0.224 ======================= Grid point 5 (4/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 0.000 11.350 0.000) 11.350 0.390 ( 0.000 16.853 0.000) 16.853 0.501 ( 0.000 22.052 0.000) 22.052 0.779 ( 0.000 -4.155 0.000) 4.155 0.940 ( 0.000 0.247 0.000) 0.247 0.946 ( 0.000 -3.196 0.000) 3.196 1.014 ( 0.000 4.719 0.000) 4.719 1.073 ( 0.000 6.024 0.000) 6.024 1.247 ( 0.000 1.741 0.000) 1.741 1.268 ( 0.000 -1.709 0.000) 1.709 1.349 ( 0.000 -5.084 0.000) 5.084 1.405 ( 0.000 -3.794 0.000) 3.794 1.433 ( 0.000 -3.312 0.000) 3.312 1.443 ( 0.000 1.650 0.000) 1.650 1.522 ( 0.000 -0.501 0.000) 0.501 1.529 ( 0.000 -0.565 0.000) 0.565 1.605 ( 0.000 -6.991 0.000) 6.991 1.644 ( 0.000 0.915 0.000) 0.915 1.708 ( 0.000 -3.362 0.000) 3.362 1.742 ( 0.000 3.218 0.000) 3.218 1.801 ( 0.000 -4.139 0.000) 4.139 1.986 ( 0.000 -2.586 0.000) 2.586 2.025 ( 0.000 4.917 0.000) 4.917 2.212 ( 0.000 -1.622 0.000) 1.622 3.333 ( 0.000 -2.373 0.000) 2.373 3.340 ( 0.000 -2.235 0.000) 2.235 3.403 ( 0.000 0.521 0.000) 0.521 3.463 ( 0.000 -0.224 0.000) 0.224 3.558 ( 0.000 0.303 0.000) 0.303 3.561 ( 0.000 -0.667 0.000) 0.667 3.658 ( 0.000 0.800 0.000) 0.800 3.662 ( 0.000 1.247 0.000) 1.247 3.918 ( 0.000 -0.251 0.000) 0.251 3.919 ( 0.000 -1.013 0.000) 1.013 4.081 ( 0.000 1.543 0.000) 1.543 4.105 ( 0.000 0.580 0.000) 0.580 4.217 ( 0.000 1.677 0.000) 1.677 4.295 ( 0.000 1.060 0.000) 1.060 4.412 ( 0.000 -3.053 0.000) 3.053 4.444 ( 0.000 -1.856 0.000) 1.856 4.792 ( 0.000 0.601 0.000) 0.601 4.879 ( 0.000 2.000 0.000) 2.000 4.886 ( 0.000 -1.386 0.000) 1.386 4.962 ( 0.000 1.018 0.000) 1.018 5.243 ( 0.000 1.259 0.000) 1.259 5.319 ( 0.000 0.728 0.000) 0.728 5.398 ( 0.000 -0.739 0.000) 0.739 5.440 ( 0.000 -1.072 0.000) 1.072 5.507 ( 0.000 -0.534 0.000) 0.534 5.584 ( 0.000 -0.317 0.000) 0.317 5.634 ( 0.000 3.290 0.000) 3.290 5.743 ( 0.000 -0.679 0.000) 0.679 6.185 ( 0.000 1.443 0.000) 1.443 6.295 ( 0.000 -1.748 0.000) 1.748 6.387 ( 0.000 -0.694 0.000) 0.694 6.389 ( 0.000 -0.040 0.000) 0.040 6.640 ( 0.000 0.113 0.000) 0.113 6.653 ( 0.000 1.119 0.000) 1.119 6.687 ( 0.000 -0.884 0.000) 0.884 6.697 ( 0.000 0.205 0.000) 0.205 6.730 ( 0.000 -0.204 0.000) 0.204 6.747 ( 0.000 -0.552 0.000) 0.552 6.767 ( 0.000 -0.312 0.000) 0.312 6.797 ( 0.000 -1.036 0.000) 1.036 8.602 ( 0.000 1.377 0.000) 1.377 8.671 ( 0.000 0.796 0.000) 0.796 8.676 ( 0.000 0.504 0.000) 0.504 8.706 ( 0.000 -1.361 0.000) 1.361 8.787 ( 0.000 -0.335 0.000) 0.335 8.796 ( 0.000 -1.047 0.000) 1.047 8.908 ( 0.000 1.062 0.000) 1.062 8.946 ( 0.000 0.469 0.000) 0.469 9.104 ( 0.000 -0.489 0.000) 0.489 9.128 ( 0.000 -0.929 0.000) 0.929 9.228 ( 0.000 0.745 0.000) 0.745 9.243 ( 0.000 0.417 0.000) 0.417 9.390 ( 0.000 -0.698 0.000) 0.698 9.408 ( 0.000 -1.340 0.000) 1.340 9.475 ( 0.000 0.849 0.000) 0.849 9.487 ( 0.000 0.836 0.000) 0.836 9.835 ( 0.000 0.074 0.000) 0.074 9.839 ( 0.000 -0.073 0.000) 0.073 9.908 ( 0.000 0.077 0.000) 0.077 9.954 ( 0.000 -1.027 0.000) 1.027 10.164 ( 0.000 0.398 0.000) 0.398 10.251 ( 0.000 -1.479 0.000) 1.479 10.340 ( 0.000 0.134 0.000) 0.134 10.359 ( 0.000 -0.193 0.000) 0.193 10.640 ( 0.000 0.383 0.000) 0.383 10.675 ( 0.000 -1.309 0.000) 1.309 10.735 ( 0.000 -0.038 0.000) 0.038 10.744 ( 0.000 0.650 0.000) 0.650 11.139 ( 0.000 0.316 0.000) 0.316 11.146 ( 0.000 0.209 0.000) 0.209 11.176 ( 0.000 -0.324 0.000) 0.324 11.182 ( 0.000 -0.451 0.000) 0.451 ======================= Grid point 6 (5/48) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 6.328 9.094 5.745) 12.480 0.419 ( 4.691 9.761 6.292) 12.525 0.667 ( 9.988 10.157 1.033) 14.283 0.754 ( 0.119 -0.101 0.196) 0.251 0.855 ( -6.499 -2.842 0.351) 7.102 0.964 ( 1.479 2.272 0.793) 2.825 1.016 ( 0.153 4.932 0.007) 4.934 1.087 ( -0.424 3.907 -0.155) 3.933 1.201 ( -2.534 -1.998 0.675) 3.297 1.262 ( -1.781 -1.374 -0.137) 2.254 1.328 ( -0.351 -0.848 -0.458) 1.026 1.400 ( -0.912 -4.687 -1.029) 4.885 1.437 ( 1.452 -1.431 3.810) 4.321 1.455 ( -2.256 2.520 0.439) 3.411 1.484 ( -0.952 -2.338 1.959) 3.195 1.571 ( 1.670 -1.376 1.427) 2.592 1.603 ( 0.985 -5.677 1.017) 5.851 1.643 ( -1.565 1.677 1.807) 2.920 1.695 ( 0.096 -3.897 0.237) 3.906 1.751 ( -0.980 1.515 -5.076) 5.387 1.832 ( 3.057 -3.071 3.411) 5.514 1.972 ( -0.907 -2.181 -2.318) 3.309 2.008 ( -0.775 5.138 -1.740) 5.480 2.191 ( -1.897 -1.222 -2.185) 3.141 3.327 ( -0.449 -1.752 0.280) 1.830 3.350 ( 0.686 -2.363 -0.719) 2.563 3.399 ( -0.433 -0.079 0.969) 1.064 3.439 ( -1.576 0.070 -0.775) 1.757 3.557 ( 0.479 0.359 0.299) 0.669 3.567 ( 0.434 0.498 1.250) 1.414 3.657 ( 0.018 0.912 -1.019) 1.367 3.662 ( 0.250 0.999 -1.204) 1.585 3.916 ( 0.216 -0.806 -0.586) 1.019 3.940 ( 1.634 -0.385 -0.149) 1.685 4.068 ( -1.118 1.140 -0.692) 1.740 4.108 ( -0.047 0.408 -0.043) 0.413 4.220 ( 0.871 1.711 -1.113) 2.219 4.304 ( 0.602 0.817 1.621) 1.912 4.395 ( -1.784 -2.539 0.400) 3.129 4.426 ( -1.759 -1.946 -0.929) 2.783 4.779 ( -0.095 2.352 -0.148) 2.358 4.875 ( -0.106 0.974 -0.392) 1.055 4.890 ( 0.223 -0.723 0.304) 0.815 4.958 ( -0.439 0.982 -0.035) 1.076 5.248 ( 0.381 1.179 0.340) 1.285 5.313 ( -0.346 1.478 -0.374) 1.563 5.389 ( -0.120 -1.438 0.333) 1.481 5.477 ( 1.795 -1.828 0.120) 2.565 5.509 ( 0.553 -0.459 -0.753) 1.041 5.581 ( -0.675 -0.659 0.693) 1.170 5.635 ( 0.145 3.299 -0.126) 3.305 5.742 ( -0.262 -0.180 0.145) 0.349 6.200 ( 1.457 1.186 -0.421) 1.925 6.290 ( -0.627 -1.511 0.609) 1.746 6.377 ( -0.450 -0.500 0.164) 0.692 6.398 ( 0.440 -0.315 0.024) 0.542 6.642 ( 0.162 0.264 0.298) 0.430 6.653 ( 0.019 0.777 -0.184) 0.799 6.683 ( -0.248 -0.835 -0.312) 0.925 6.704 ( 0.238 -0.068 0.585) 0.635 6.721 ( -0.309 0.308 -0.591) 0.735 6.743 ( -0.389 -0.170 -0.047) 0.427 6.770 ( 0.128 -0.495 -0.229) 0.561 6.787 ( -0.436 -0.538 0.304) 0.756 8.598 ( 0.149 1.534 -1.407) 2.086 8.669 ( -0.333 0.665 1.383) 1.570 8.685 ( 0.685 0.276 -0.267) 0.785 8.710 ( 0.051 -1.548 0.913) 1.798 8.791 ( 0.640 -0.909 0.436) 1.194 8.808 ( 0.491 -0.528 1.856) 1.991 8.905 ( -1.286 1.890 0.768) 2.411 8.923 ( 0.530 1.829 -1.473) 2.407 9.080 ( 0.426 0.392 -0.033) 0.580 9.184 ( -0.323 -2.450 1.370) 2.826 9.238 ( 0.729 0.169 -0.218) 0.779 9.288 ( 2.944 -2.014 1.100) 3.733 9.391 ( 0.133 -0.801 0.085) 0.816 9.407 ( -0.092 -1.345 -0.231) 1.368 9.473 ( 0.063 0.668 -0.268) 0.722 9.489 ( 0.067 0.547 -0.775) 0.951 9.806 ( -2.425 0.040 -0.183) 2.432 9.809 ( -1.953 -0.098 -0.839) 2.128 9.933 ( 1.596 -0.019 0.767) 1.770 9.949 ( 0.652 0.222 -0.085) 0.694 10.226 ( 3.661 -3.721 -2.879) 5.961 10.233 ( -0.931 -0.828 -0.646) 1.403 10.346 ( -0.219 -0.764 0.892) 1.195 10.363 ( 0.497 -0.501 0.907) 1.149 10.613 ( -3.300 2.764 -3.709) 5.683 10.660 ( -0.921 1.644 0.085) 1.886 10.677 ( -0.070 -0.633 0.903) 1.105 10.770 ( 0.219 0.656 1.353) 1.519 11.138 ( -0.032 0.295 -0.207) 0.362 11.146 ( -0.040 0.129 -0.443) 0.463 11.167 ( -0.531 0.166 -0.283) 0.625 11.179 ( -0.234 -0.383 -0.282) 0.530 ======================= Grid point 7 (6/48) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -2.202 11.470 2.957) 12.048 0.586 ( 7.601 -0.867 5.274) 9.292 0.728 ( -1.978 0.878 0.059) 2.165 0.774 ( -0.455 0.657 -4.757) 4.823 0.848 ( 3.664 -4.891 2.732) 6.694 0.947 ( -2.389 2.160 1.389) 3.507 1.058 ( 0.157 3.133 -0.318) 3.153 1.082 ( 3.234 5.839 -1.255) 6.792 1.183 ( 0.322 1.188 0.107) 1.236 1.239 ( -0.269 -2.799 2.412) 3.705 1.282 ( -2.842 -0.480 -0.545) 2.933 1.370 ( -1.159 0.885 0.138) 1.465 1.411 ( -1.081 -1.557 0.186) 1.904 1.485 ( -0.087 -4.161 2.235) 4.724 1.502 ( 2.302 0.381 1.285) 2.664 1.570 ( -1.628 0.948 1.439) 2.371 1.620 ( -0.393 1.552 2.610) 3.062 1.647 ( 1.596 -4.729 -0.066) 4.991 1.667 ( -1.761 -0.452 -1.872) 2.609 1.712 ( -1.002 -1.064 -3.466) 3.761 1.895 ( 1.647 -1.661 3.231) 3.989 1.940 ( -1.135 -1.591 -3.656) 4.145 2.021 ( 2.083 3.577 1.360) 4.357 2.129 ( -2.895 -0.277 -3.018) 4.191 3.319 ( -0.271 -1.039 0.101) 1.079 3.360 ( 0.337 -2.227 -0.294) 2.272 3.397 ( -0.039 -1.034 1.269) 1.637 3.412 ( -0.725 -0.368 -1.169) 1.424 3.571 ( 0.430 0.366 0.054) 0.567 3.581 ( 0.509 0.236 1.265) 1.384 3.652 ( -0.204 1.266 -0.831) 1.528 3.665 ( 0.213 0.719 -0.841) 1.127 3.920 ( 0.210 -0.675 -0.406) 0.815 3.982 ( 2.413 -0.232 0.042) 2.424 4.032 ( -2.192 0.577 -0.477) 2.316 4.101 ( -0.366 -0.010 0.027) 0.367 4.249 ( 1.820 1.544 -1.365) 2.749 4.327 ( 0.917 0.213 2.408) 2.586 4.355 ( -1.677 -1.371 0.916) 2.352 4.378 ( -2.131 -1.113 -1.998) 3.126 4.790 ( 0.642 2.158 0.058) 2.252 4.874 ( 0.084 0.754 -0.044) 0.760 4.890 ( -0.279 -1.060 -0.106) 1.101 4.949 ( -0.246 1.056 0.011) 1.084 5.257 ( 0.274 0.897 0.221) 0.963 5.306 ( -0.208 2.076 -0.229) 2.099 5.390 ( 0.025 -1.556 0.189) 1.568 5.499 ( 0.509 -1.584 -0.030) 1.664 5.529 ( 1.455 -0.981 -0.750) 1.908 5.560 ( -1.381 -0.854 0.790) 1.806 5.639 ( 0.177 2.974 -0.104) 2.981 5.736 ( -0.277 0.813 0.065) 0.861 6.236 ( 1.998 0.468 -0.727) 2.177 6.271 ( -1.501 -0.646 0.763) 1.803 6.371 ( -0.135 -0.636 0.084) 0.656 6.405 ( 0.154 -0.363 0.033) 0.396 6.645 ( 0.023 0.944 0.198) 0.965 6.654 ( 0.125 -0.113 -0.109) 0.201 6.679 ( -0.053 -1.027 0.005) 1.029 6.702 ( -0.274 -0.098 -0.354) 0.458 6.723 ( 0.270 0.565 0.249) 0.674 6.735 ( -0.299 0.587 -0.036) 0.659 6.767 ( -0.189 -0.910 -0.329) 0.986 6.787 ( 0.145 -0.771 0.268) 0.829 8.601 ( 0.290 1.169 -0.892) 1.499 8.665 ( -0.294 0.756 0.979) 1.271 8.696 ( 0.394 -0.666 -0.492) 0.917 8.712 ( -0.054 -0.963 0.582) 1.127 8.811 ( 0.774 -1.134 1.283) 1.879 8.819 ( 0.166 -0.623 0.144) 0.660 8.885 ( -0.596 2.489 -0.104) 2.562 8.936 ( 0.561 1.970 -0.561) 2.124 9.097 ( 0.823 -0.139 -0.078) 0.838 9.167 ( -0.945 -1.067 0.463) 1.498 9.250 ( 0.410 0.286 -0.089) 0.507 9.319 ( 0.300 -1.305 0.727) 1.523 9.397 ( 0.287 -1.088 0.506) 1.234 9.403 ( -0.185 -1.332 -0.484) 1.430 9.478 ( 0.354 0.492 -0.173) 0.630 9.485 ( -0.258 0.486 -0.386) 0.672 9.763 ( -1.197 -0.169 -0.175) 1.222 9.777 ( -0.881 -0.376 -0.404) 1.040 9.960 ( 0.688 -0.136 0.273) 0.753 9.967 ( 0.625 -0.106 0.077) 0.639 10.209 ( -0.600 -0.177 -0.432) 0.760 10.279 ( 1.787 -4.367 -1.668) 5.005 10.334 ( -0.875 -1.210 1.101) 1.855 10.376 ( 0.341 -1.437 0.416) 1.534 10.554 ( -1.269 4.231 -1.246) 4.590 10.661 ( 0.335 -0.726 -0.440) 0.913 10.675 ( -0.313 1.146 0.911) 1.497 10.775 ( 0.118 0.705 0.279) 0.767 11.138 ( 0.022 0.261 -0.149) 0.302 11.143 ( -0.107 0.151 -0.172) 0.253 11.158 ( -0.233 0.241 -0.088) 0.347 11.174 ( -0.165 -0.296 -0.139) 0.366 ======================= Grid point 10 (7/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.000 9.513 0.000) 9.513 0.651 ( 0.000 -6.427 0.000) 6.427 0.686 ( 0.000 9.969 0.000) 9.969 0.824 ( 0.000 -3.008 0.000) 3.008 0.963 ( 0.000 13.011 0.000) 13.011 0.997 ( 0.000 5.091 0.000) 5.091 1.148 ( 0.000 3.970 0.000) 3.970 1.204 ( 0.000 1.384 0.000) 1.384 1.205 ( 0.000 0.035 0.000) 0.035 1.266 ( 0.000 0.118 0.000) 0.118 1.288 ( 0.000 1.132 0.000) 1.132 1.323 ( 0.000 -2.990 0.000) 2.990 1.359 ( 0.000 -3.236 0.000) 3.236 1.401 ( 0.000 -7.184 0.000) 7.184 1.446 ( 0.000 -4.895 0.000) 4.895 1.490 ( 0.000 -3.720 0.000) 3.720 1.543 ( 0.000 3.678 0.000) 3.678 1.614 ( 0.000 -2.332 0.000) 2.332 1.667 ( 0.000 -0.870 0.000) 0.870 1.694 ( 0.000 -3.842 0.000) 3.842 1.830 ( 0.000 3.998 0.000) 3.998 1.914 ( 0.000 -3.816 0.000) 3.816 2.117 ( 0.000 3.425 0.000) 3.425 2.173 ( 0.000 -2.000 0.000) 2.000 3.295 ( 0.000 -0.891 0.000) 0.891 3.300 ( 0.000 -1.275 0.000) 1.275 3.417 ( 0.000 0.920 0.000) 0.920 3.443 ( 0.000 -1.379 0.000) 1.379 3.554 ( 0.000 0.113 0.000) 0.113 3.560 ( 0.000 -0.195 0.000) 0.195 3.676 ( 0.000 0.721 0.000) 0.721 3.682 ( 0.000 0.332 0.000) 0.332 3.905 ( 0.000 -0.169 0.000) 0.169 3.910 ( 0.000 -0.434 0.000) 0.434 4.110 ( 0.000 0.911 0.000) 0.911 4.116 ( 0.000 0.288 0.000) 0.288 4.267 ( 0.000 2.905 0.000) 2.905 4.332 ( 0.000 2.310 0.000) 2.310 4.338 ( 0.000 -3.581 0.000) 3.581 4.390 ( 0.000 -2.910 0.000) 2.910 4.814 ( 0.000 1.487 0.000) 1.487 4.851 ( 0.000 -1.789 0.000) 1.789 4.928 ( 0.000 2.302 0.000) 2.302 4.965 ( 0.000 -0.889 0.000) 0.889 5.281 ( 0.000 2.144 0.000) 2.144 5.323 ( 0.000 -1.105 0.000) 1.105 5.383 ( 0.000 0.376 0.000) 0.376 5.410 ( 0.000 -1.581 0.000) 1.581 5.527 ( 0.000 1.853 0.000) 1.853 5.566 ( 0.000 -1.463 0.000) 1.463 5.694 ( 0.000 2.119 0.000) 2.119 5.726 ( 0.000 -1.001 0.000) 1.001 6.224 ( 0.000 1.919 0.000) 1.919 6.260 ( 0.000 -1.497 0.000) 1.497 6.373 ( 0.000 -0.338 0.000) 0.338 6.378 ( 0.000 -0.692 0.000) 0.692 6.645 ( 0.000 0.464 0.000) 0.464 6.662 ( 0.000 -1.112 0.000) 1.112 6.682 ( 0.000 1.271 0.000) 1.271 6.700 ( 0.000 -0.230 0.000) 0.230 6.727 ( 0.000 0.093 0.000) 0.093 6.734 ( 0.000 -0.493 0.000) 0.493 6.763 ( 0.000 -0.022 0.000) 0.022 6.773 ( 0.000 -0.967 0.000) 0.967 8.638 ( 0.000 1.712 0.000) 1.712 8.672 ( 0.000 -1.432 0.000) 1.432 8.691 ( 0.000 0.684 0.000) 0.684 8.692 ( 0.000 0.578 0.000) 0.578 8.773 ( 0.000 -0.732 0.000) 0.732 8.773 ( 0.000 -0.830 0.000) 0.830 8.934 ( 0.000 1.185 0.000) 1.185 8.951 ( 0.000 -0.225 0.000) 0.225 9.097 ( 0.000 -0.022 0.000) 0.022 9.107 ( 0.000 -0.854 0.000) 0.854 9.244 ( 0.000 0.638 0.000) 0.638 9.251 ( 0.000 0.105 0.000) 0.105 9.378 ( 0.000 -0.281 0.000) 0.281 9.383 ( 0.000 -0.820 0.000) 0.820 9.493 ( 0.000 0.639 0.000) 0.639 9.499 ( 0.000 0.146 0.000) 0.146 9.837 ( 0.000 0.060 0.000) 0.060 9.838 ( 0.000 -0.029 0.000) 0.029 9.913 ( 0.000 0.437 0.000) 0.437 9.929 ( 0.000 -1.054 0.000) 1.054 10.181 ( 0.000 1.199 0.000) 1.199 10.214 ( 0.000 -1.773 0.000) 1.773 10.345 ( 0.000 0.316 0.000) 0.316 10.353 ( 0.000 -0.386 0.000) 0.386 10.645 ( 0.000 0.146 0.000) 0.146 10.653 ( 0.000 -0.701 0.000) 0.701 10.740 ( 0.000 0.497 0.000) 0.497 10.749 ( 0.000 -0.170 0.000) 0.170 11.149 ( 0.000 0.501 0.000) 0.501 11.152 ( 0.000 0.241 0.000) 0.241 11.168 ( 0.000 -0.336 0.000) 0.336 11.170 ( 0.000 -0.560 0.000) 0.560 ======================= Grid point 11 (8/48) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 2.847 5.180 8.730) 10.542 0.588 ( -1.674 1.132 5.788) 6.131 0.692 ( -1.413 3.377 3.546) 5.097 0.784 ( -4.171 -3.423 -0.419) 5.412 0.983 ( -0.411 10.858 -5.797) 12.316 1.039 ( 1.999 3.987 0.516) 4.490 1.108 ( -3.651 -1.981 -1.192) 4.321 1.160 ( -0.978 -1.570 -2.335) 2.979 1.171 ( -0.561 5.077 0.704) 5.157 1.253 ( -0.561 3.450 -0.288) 3.507 1.312 ( -1.570 -1.761 3.995) 4.640 1.336 ( 2.542 -0.153 0.644) 2.627 1.384 ( 1.395 -1.665 2.754) 3.507 1.414 ( 1.087 -6.621 0.713) 6.748 1.487 ( 3.477 -4.426 1.112) 5.737 1.493 ( -0.308 -1.141 -2.359) 2.639 1.533 ( 0.223 2.564 -0.463) 2.615 1.608 ( -0.613 -3.974 0.783) 4.097 1.661 ( -0.732 0.618 2.694) 2.859 1.712 ( 0.327 -3.828 0.848) 3.934 1.843 ( 1.592 3.213 -0.655) 3.645 1.913 ( 0.058 -3.112 -1.257) 3.357 2.103 ( -1.001 3.428 -1.707) 3.958 2.157 ( -1.251 -1.896 -1.939) 2.987 3.297 ( 0.214 -0.643 0.120) 0.688 3.306 ( 0.547 -1.418 -0.352) 1.561 3.403 ( -1.095 0.632 0.233) 1.286 3.424 ( -1.424 -1.145 -0.617) 1.929 3.563 ( 0.653 0.292 0.522) 0.886 3.569 ( 0.579 -0.218 0.941) 1.127 3.676 ( 0.082 0.687 -0.573) 0.898 3.680 ( 0.067 0.409 -1.156) 1.228 3.908 ( 0.475 0.211 -0.365) 0.636 3.923 ( 1.159 -0.969 -0.197) 1.524 4.097 ( -1.079 1.232 -0.504) 1.714 4.112 ( -0.592 -0.177 -0.212) 0.653 4.269 ( 0.567 2.747 -1.116) 3.018 4.331 ( -0.160 1.156 0.963) 1.513 4.333 ( -0.453 -2.472 -0.165) 2.518 4.378 ( -1.183 -2.448 0.342) 2.740 4.819 ( 0.485 1.639 -0.017) 1.709 4.854 ( 0.247 -1.583 -0.025) 1.602 4.923 ( -0.423 2.186 -0.046) 2.227 4.959 ( -0.447 -0.921 -0.075) 1.027 5.283 ( 0.068 1.967 0.586) 2.054 5.325 ( 0.189 -1.448 0.212) 1.476 5.378 ( -0.034 1.718 -0.260) 1.738 5.430 ( 1.311 -2.527 -0.383) 2.872 5.526 ( 0.024 1.568 -0.423) 1.624 5.560 ( -0.616 -1.349 0.084) 1.485 5.696 ( 0.180 2.276 0.022) 2.283 5.730 ( 0.336 -0.994 0.154) 1.060 6.232 ( 0.702 1.559 0.029) 1.710 6.261 ( 0.062 -1.221 0.146) 1.231 6.369 ( -0.265 0.052 0.155) 0.311 6.383 ( 0.277 -1.010 -0.151) 1.058 6.647 ( 0.208 0.400 -0.057) 0.454 6.662 ( -0.043 -0.973 -0.342) 1.032 6.678 ( -0.234 1.248 0.160) 1.280 6.698 ( -0.082 -0.545 0.357) 0.657 6.728 ( 0.021 0.444 -0.623) 0.766 6.739 ( 0.292 -0.257 -0.205) 0.440 6.762 ( -0.275 -0.259 -0.014) 0.378 6.767 ( -0.332 -0.859 0.590) 1.094 8.636 ( 0.010 1.838 -1.121) 2.153 8.671 ( -0.034 -1.265 -0.268) 1.294 8.688 ( -0.195 0.254 0.423) 0.530 8.693 ( -0.026 0.104 0.285) 0.304 8.777 ( 0.713 -0.080 0.837) 1.102 8.790 ( 0.775 -1.020 1.371) 1.876 8.940 ( 0.130 1.202 0.207) 1.227 8.950 ( 0.419 0.395 -0.613) 0.841 9.093 ( 0.207 0.974 0.400) 1.073 9.128 ( 0.692 -2.257 0.988) 2.560 9.251 ( 0.677 0.810 -0.386) 1.124 9.267 ( 1.377 -0.604 -0.132) 1.509 9.377 ( -0.024 -0.309 -0.004) 0.310 9.383 ( -0.061 -0.785 0.026) 0.788 9.490 ( -0.203 0.650 -0.127) 0.693 9.497 ( -0.191 0.038 -0.135) 0.237 9.806 ( -2.383 -0.001 -0.407) 2.417 9.807 ( -2.208 -0.098 -0.617) 2.295 9.935 ( 1.395 0.226 0.617) 1.542 9.943 ( 1.027 -0.505 0.344) 1.195 10.194 ( 1.172 0.080 -0.580) 1.310 10.211 ( -0.205 -1.147 -0.224) 1.186 10.338 ( -0.712 0.119 0.335) 0.796 10.348 ( -0.384 -0.711 0.373) 0.890 10.635 ( -0.925 0.414 -0.990) 1.417 10.646 ( -0.548 -0.751 -0.081) 0.933 10.725 ( -0.313 2.317 -0.323) 2.361 10.763 ( 0.431 -1.180 0.457) 1.337 11.147 ( -0.094 0.462 -0.205) 0.514 11.151 ( -0.083 0.220 -0.239) 0.335 11.164 ( -0.292 -0.203 0.053) 0.359 11.168 ( -0.130 -0.531 -0.272) 0.611 ======================= Grid point 12 (9/48) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 2.660 2.970 8.042) 8.976 0.640 ( -1.673 7.050 0.942) 7.307 0.693 ( 4.467 -6.149 4.105) 8.638 0.719 ( -1.311 -0.865 0.134) 1.576 0.877 ( -5.453 5.346 -4.802) 9.020 0.983 ( -4.410 -0.783 -2.695) 5.228 1.087 ( 0.893 -0.785 0.282) 1.222 1.121 ( -1.567 -3.833 0.519) 4.173 1.229 ( 0.527 5.078 0.015) 5.106 1.248 ( 1.518 3.309 -0.195) 3.646 1.305 ( -0.168 3.485 2.633) 4.370 1.380 ( -0.436 -0.349 -2.335) 2.401 1.391 ( 1.135 -1.327 2.691) 3.208 1.443 ( 1.383 -1.222 0.504) 1.913 1.481 ( 0.365 -1.400 -1.882) 2.374 1.550 ( 1.345 -0.725 0.760) 1.707 1.573 ( 2.774 -3.274 2.102) 4.778 1.590 ( -1.479 -4.011 0.385) 4.292 1.658 ( 0.055 1.664 1.552) 2.276 1.691 ( -1.763 -1.010 -1.260) 2.391 1.882 ( 1.466 0.636 0.782) 1.779 1.908 ( -0.216 -1.437 -0.874) 1.696 2.085 ( 0.047 2.171 -0.546) 2.239 2.117 ( -1.810 -0.944 -2.275) 3.056 3.301 ( 0.134 -0.265 0.057) 0.303 3.315 ( 0.333 -1.539 -0.167) 1.584 3.385 ( -0.542 0.118 0.267) 0.616 3.398 ( -0.745 -0.850 -0.463) 1.222 3.576 ( 0.386 0.197 0.245) 0.498 3.581 ( 0.248 -0.222 0.663) 0.742 3.676 ( 0.047 0.709 -0.283) 0.765 3.679 ( 0.062 0.427 -0.867) 0.968 3.919 ( 0.433 0.665 -0.218) 0.822 3.948 ( 1.019 -1.935 -0.132) 2.191 4.070 ( -1.112 1.932 -0.207) 2.239 4.097 ( -0.576 -0.568 -0.127) 0.818 4.287 ( 1.318 1.741 -1.547) 2.676 4.320 ( -0.700 -1.381 0.089) 1.551 4.334 ( 0.097 0.203 1.871) 1.885 4.350 ( -1.219 -1.247 -0.459) 1.803 4.830 ( 0.393 1.471 0.018) 1.522 4.859 ( 0.159 -1.298 -0.007) 1.308 4.913 ( -0.393 2.176 -0.082) 2.213 4.951 ( -0.233 -0.983 -0.014) 1.011 5.286 ( 0.053 1.797 0.308) 1.824 5.330 ( 0.140 -1.783 0.118) 1.792 5.380 ( 0.132 2.720 -0.126) 2.727 5.449 ( 0.526 -3.035 -0.173) 3.085 5.529 ( 0.381 0.608 -0.396) 0.819 5.544 ( -0.782 -0.719 0.163) 1.075 5.700 ( 0.135 2.465 0.009) 2.469 5.736 ( 0.162 -0.853 0.079) 0.872 6.247 ( 0.630 0.635 0.002) 0.894 6.261 ( -0.153 -0.463 0.087) 0.495 6.365 ( -0.095 0.398 0.065) 0.414 6.387 ( 0.109 -1.226 -0.062) 1.233 6.650 ( 0.109 0.108 -0.122) 0.196 6.659 ( -0.120 -0.605 -0.226) 0.657 6.678 ( 0.107 1.521 0.394) 1.575 6.701 ( 0.156 -0.304 0.070) 0.349 6.724 ( -0.030 -0.094 -0.050) 0.110 6.737 ( -0.496 -0.964 -0.723) 1.303 6.755 ( -0.082 0.484 0.210) 0.534 6.770 ( 0.136 -0.773 0.377) 0.871 8.633 ( 0.028 1.745 -0.701) 1.881 8.669 ( -0.053 -1.382 -0.232) 1.403 8.684 ( -0.180 0.521 0.469) 0.724 8.696 ( 0.145 -0.559 0.195) 0.609 8.795 ( 0.585 -0.111 0.675) 0.900 8.804 ( 0.261 -0.722 0.496) 0.914 8.939 ( -0.014 2.128 -0.001) 2.128 8.963 ( 0.576 0.139 -0.266) 0.649 9.101 ( 0.307 0.792 0.229) 0.880 9.133 ( -0.167 -1.870 0.499) 1.943 9.264 ( 0.509 1.010 -0.256) 1.160 9.290 ( 0.641 -1.309 0.060) 1.459 9.377 ( -0.026 -0.383 0.031) 0.385 9.382 ( -0.021 -0.719 -0.004) 0.719 9.488 ( 0.097 0.390 -0.124) 0.421 9.492 ( -0.204 0.078 -0.055) 0.225 9.762 ( -1.305 0.110 -0.221) 1.328 9.768 ( -1.130 -0.395 -0.292) 1.232 9.958 ( 0.608 0.039 0.248) 0.658 9.962 ( 0.532 -0.284 0.186) 0.631 10.204 ( -0.063 -0.060 -0.328) 0.340 10.218 ( 0.771 -1.530 -0.188) 1.724 10.322 ( -0.684 0.276 0.276) 0.787 10.343 ( -0.202 -1.449 0.225) 1.480 10.612 ( -0.676 1.544 -0.528) 1.766 10.637 ( -0.231 -1.017 -0.203) 1.063 10.726 ( 0.168 2.563 0.093) 2.570 10.769 ( 0.146 -1.284 0.133) 1.299 11.145 ( -0.027 0.378 -0.148) 0.407 11.148 ( -0.100 0.214 -0.126) 0.268 11.159 ( -0.155 -0.027 0.002) 0.158 11.165 ( -0.113 -0.479 -0.123) 0.507 ======================= Grid point 25 (10/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( -5.518 0.000 15.643) 16.588 0.359 ( 6.030 0.000 17.177) 18.205 0.468 ( 5.646 0.000 22.047) 22.759 0.864 ( -2.561 0.000 2.039) 3.274 0.894 ( -0.056 0.000 -1.474) 1.475 1.014 ( -0.665 0.000 3.490) 3.553 1.015 ( 0.632 0.000 2.257) 2.344 1.079 ( 5.997 0.000 6.441) 8.801 1.204 ( -1.912 0.000 -1.667) 2.537 1.284 ( 2.611 0.000 -0.576) 2.674 1.354 ( 2.234 0.000 -4.394) 4.929 1.426 ( -4.417 0.000 -2.359) 5.007 1.443 ( 2.842 0.000 -1.544) 3.234 1.460 ( 1.032 0.000 -3.319) 3.476 1.510 ( 2.949 0.000 0.213) 2.957 1.574 ( -0.608 0.000 -0.628) 0.873 1.576 ( -0.890 0.000 2.209) 2.382 1.709 ( 4.479 0.000 -1.462) 4.712 1.710 ( 1.813 0.000 -0.114) 1.817 1.757 ( 0.373 0.000 1.573) 1.616 1.854 ( -2.509 0.000 -0.236) 2.520 1.918 ( -2.063 0.000 -2.810) 3.486 2.014 ( -2.676 0.000 -0.724) 2.772 2.197 ( -2.216 0.000 -3.230) 3.917 3.360 ( -0.007 0.000 -0.364) 0.364 3.364 ( 0.760 0.000 -1.175) 1.399 3.382 ( 0.701 0.000 -0.966) 1.193 3.430 ( -0.606 0.000 -0.293) 0.672 3.542 ( 0.757 0.000 0.840) 1.131 3.595 ( 0.430 0.000 0.495) 0.655 3.643 ( -1.849 0.000 -0.286) 1.871 3.647 ( -0.849 0.000 -0.266) 0.890 3.933 ( -0.927 0.000 0.100) 0.932 3.935 ( -0.173 0.000 1.329) 1.341 4.059 ( -0.720 0.000 -0.393) 0.820 4.092 ( -0.205 0.000 -0.699) 0.728 4.195 ( -0.972 0.000 0.288) 1.014 4.279 ( 1.720 0.000 -0.542) 1.803 4.434 ( 1.902 0.000 -1.668) 2.530 4.435 ( -1.804 0.000 -2.343) 2.957 4.728 ( -0.228 0.000 0.851) 0.881 4.843 ( -0.013 0.000 -1.065) 1.065 4.926 ( 0.318 0.000 -0.041) 0.320 4.939 ( -0.317 0.000 -0.209) 0.379 5.238 ( 0.034 0.000 0.881) 0.882 5.312 ( -0.296 0.000 1.199) 1.235 5.396 ( 0.033 0.000 -0.732) 0.733 5.445 ( 1.617 0.000 -1.016) 1.910 5.545 ( -0.871 0.000 0.661) 1.094 5.565 ( -0.013 0.000 0.688) 0.688 5.601 ( 0.817 0.000 1.088) 1.360 5.747 ( -0.059 0.000 -0.560) 0.563 6.191 ( -0.823 0.000 2.064) 2.222 6.343 ( 0.885 0.000 0.564) 1.049 6.379 ( -0.559 0.000 -0.509) 0.756 6.387 ( 0.815 0.000 -0.769) 1.120 6.637 ( 0.444 0.000 0.171) 0.476 6.651 ( -0.354 0.000 0.748) 0.828 6.694 ( 0.136 0.000 -0.238) 0.274 6.694 ( 0.153 0.000 -0.198) 0.250 6.719 ( -0.321 0.000 -0.444) 0.548 6.754 ( -0.107 0.000 -0.200) 0.227 6.764 ( 0.165 0.000 -0.791) 0.808 6.773 ( 0.271 0.000 -0.988) 1.025 8.561 ( -0.734 0.000 -0.658) 0.986 8.668 ( -0.285 0.000 -0.492) 0.569 8.683 ( 1.100 0.000 1.531) 1.886 8.755 ( 1.541 0.000 -2.572) 2.999 8.804 ( 0.270 0.000 1.570) 1.593 8.861 ( 0.912 0.000 1.865) 2.076 8.877 ( -0.679 0.000 0.541) 0.869 8.972 ( 1.382 0.000 -0.443) 1.451 9.075 ( -0.382 0.000 0.970) 1.043 9.138 ( 3.416 0.000 -0.373) 3.436 9.211 ( 0.422 0.000 -0.623) 0.753 9.235 ( -0.219 0.000 -0.335) 0.400 9.391 ( 0.046 0.000 -0.774) 0.776 9.420 ( 0.296 0.000 -0.782) 0.836 9.455 ( 0.067 0.000 -0.817) 0.819 9.493 ( -1.441 0.000 -2.297) 2.711 9.844 ( -0.909 0.000 0.420) 1.001 9.856 ( 0.848 0.000 1.786) 1.978 9.905 ( 0.548 0.000 0.150) 0.568 9.989 ( 1.209 0.000 -1.954) 2.298 10.216 ( -9.997 0.000 0.077) 9.998 10.261 ( -2.233 0.000 -0.751) 2.356 10.346 ( 2.522 0.000 0.811) 2.649 10.368 ( -0.397 0.000 0.657) 0.767 10.494 ( -0.247 0.000 1.563) 1.582 10.624 ( 0.120 0.000 -0.902) 0.910 10.728 ( 0.231 0.000 -0.142) 0.271 10.827 ( 0.742 0.000 -1.290) 1.488 11.139 ( -0.226 0.000 0.326) 0.397 11.166 ( -0.164 0.000 0.393) 0.425 11.186 ( -0.180 0.000 -0.086) 0.199 11.233 ( -3.562 0.000 -0.407) 3.585 ======================= Grid point 26 (11/48) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 9.499 0.000 8.691) 12.875 0.494 ( 2.627 0.000 16.399) 16.608 0.735 ( 9.512 0.000 13.389) 16.424 0.836 ( -1.010 0.000 3.119) 3.278 0.898 ( -3.294 0.000 1.484) 3.613 0.947 ( -0.605 0.000 0.250) 0.654 1.002 ( -1.314 0.000 2.450) 2.780 1.127 ( -3.559 0.000 5.947) 6.931 1.185 ( 0.997 0.000 -2.273) 2.482 1.262 ( -3.832 0.000 -0.405) 3.853 1.368 ( 2.792 0.000 -1.020) 2.972 1.408 ( -3.395 0.000 -0.599) 3.447 1.452 ( 2.810 0.000 -1.188) 3.051 1.498 ( -1.837 0.000 1.069) 2.125 1.519 ( 0.453 0.000 -6.561) 6.576 1.565 ( -1.261 0.000 -1.471) 1.938 1.626 ( 5.517 0.000 5.245) 7.612 1.671 ( -4.236 0.000 -0.414) 4.256 1.710 ( -4.484 0.000 -4.162) 6.118 1.742 ( -1.226 0.000 1.269) 1.764 1.872 ( -1.449 0.000 -5.180) 5.379 1.898 ( 5.201 0.000 -0.195) 5.205 1.981 ( 0.952 0.000 2.950) 3.100 2.122 ( -3.517 0.000 -5.051) 6.155 3.346 ( -0.944 0.000 -0.051) 0.946 3.378 ( 0.792 0.000 -0.691) 1.051 3.397 ( 0.682 0.000 -0.537) 0.868 3.413 ( -0.681 0.000 -0.865) 1.101 3.572 ( 1.691 0.000 1.697) 2.396 3.595 ( -1.337 0.000 1.050) 1.700 3.622 ( 1.131 0.000 -0.109) 1.136 3.628 ( -0.742 0.000 -1.189) 1.402 3.923 ( 0.042 0.000 0.078) 0.088 3.950 ( 1.200 0.000 1.299) 1.769 4.043 ( -0.733 0.000 -0.562) 0.924 4.091 ( 0.301 0.000 -0.963) 1.008 4.184 ( 0.043 0.000 -0.670) 0.672 4.320 ( 2.079 0.000 0.743) 2.208 4.382 ( -2.576 0.000 -3.930) 4.699 4.441 ( -1.037 0.000 0.061) 1.039 4.740 ( 1.133 0.000 0.700) 1.331 4.847 ( 0.500 0.000 -1.138) 1.242 4.924 ( -0.215 0.000 0.588) 0.626 4.927 ( -0.686 0.000 -0.487) 0.842 5.246 ( 0.395 0.000 0.936) 1.016 5.304 ( -0.677 0.000 1.089) 1.282 5.399 ( 0.307 0.000 -0.712) 0.775 5.483 ( 1.475 0.000 -1.854) 2.369 5.538 ( -0.006 0.000 0.001) 0.006 5.578 ( 0.937 0.000 0.694) 1.166 5.615 ( 0.127 0.000 1.434) 1.440 5.735 ( -0.850 0.000 -0.524) 0.999 6.195 ( 0.764 0.000 1.441) 1.631 6.341 ( -1.016 0.000 1.203) 1.575 6.368 ( -0.279 0.000 -0.890) 0.933 6.400 ( 0.583 0.000 -0.464) 0.745 6.644 ( -0.309 0.000 0.384) 0.493 6.649 ( 0.514 0.000 0.537) 0.743 6.698 ( 0.358 0.000 -0.220) 0.420 6.699 ( 0.300 0.000 0.111) 0.320 6.707 ( -0.479 0.000 -0.636) 0.796 6.741 ( -0.958 0.000 -0.288) 1.000 6.762 ( -0.073 0.000 -1.173) 1.175 6.783 ( 0.742 0.000 -0.566) 0.933 8.558 ( 0.539 0.000 -0.447) 0.700 8.670 ( 0.661 0.000 -0.853) 1.079 8.697 ( -0.251 0.000 1.685) 1.703 8.759 ( -0.506 0.000 -1.482) 1.566 8.824 ( 1.141 0.000 1.693) 2.041 8.861 ( -0.476 0.000 1.791) 1.853 8.863 ( -0.706 0.000 0.021) 0.706 8.912 ( -2.558 0.000 1.732) 3.089 9.080 ( 0.626 0.000 0.572) 0.848 9.205 ( -0.858 0.000 -0.166) 0.873 9.230 ( 0.402 0.000 -1.389) 1.446 9.289 ( 4.745 0.000 -5.120) 6.981 9.402 ( 1.591 0.000 -1.210) 1.998 9.421 ( 0.016 0.000 -0.580) 0.581 9.445 ( -2.076 0.000 -1.035) 2.320 9.456 ( 0.221 0.000 -1.024) 1.048 9.804 ( -2.203 0.000 0.524) 2.264 9.838 ( -3.042 0.000 3.217) 4.428 9.937 ( 1.720 0.000 -0.130) 1.725 9.956 ( -0.492 0.000 0.330) 0.593 10.199 ( 4.345 0.000 -2.477) 5.002 10.219 ( -1.429 0.000 -0.879) 1.678 10.378 ( 0.701 0.000 0.454) 0.836 10.392 ( 1.433 0.000 1.170) 1.850 10.486 ( -0.793 0.000 1.537) 1.729 10.625 ( 0.222 0.000 -0.977) 1.002 10.741 ( 0.878 0.000 0.055) 0.879 10.781 ( -3.259 0.000 0.438) 3.289 11.138 ( 0.065 0.000 0.445) 0.450 11.162 ( -0.325 0.000 0.443) 0.550 11.169 ( -1.748 0.000 2.015) 2.668 11.180 ( -0.302 0.000 -0.196) 0.361 ======================= Grid point 27 (12/48) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -8.304 0.000 13.745) 16.058 0.672 ( 11.689 0.000 4.082) 12.381 0.726 ( -3.280 0.000 4.671) 5.708 0.811 ( -2.743 0.000 2.292) 3.575 0.973 ( 1.649 0.000 -0.074) 1.651 0.981 ( -4.369 0.000 4.757) 6.459 1.026 ( 7.127 0.000 1.818) 7.355 1.035 ( -2.083 0.000 3.756) 4.295 1.174 ( -3.547 0.000 -0.680) 3.612 1.214 ( 1.442 0.000 -2.354) 2.761 1.307 ( -5.261 0.000 -1.455) 5.458 1.369 ( -8.550 0.000 -3.028) 9.070 1.439 ( -2.683 0.000 -0.553) 2.739 1.477 ( -0.222 0.000 -0.234) 0.322 1.487 ( -1.788 0.000 -6.757) 6.990 1.519 ( 4.480 0.000 -0.518) 4.510 1.603 ( -1.931 0.000 -0.031) 1.931 1.629 ( -1.840 0.000 -2.092) 2.786 1.736 ( -0.348 0.000 -0.036) 0.350 1.752 ( 3.599 0.000 4.478) 5.745 1.835 ( 0.549 0.000 -5.514) 5.541 1.957 ( -0.537 0.000 -2.970) 3.018 2.035 ( 1.773 0.000 5.447) 5.728 2.090 ( 2.963 0.000 -0.358) 2.985 3.329 ( -0.617 0.000 0.162) 0.638 3.378 ( -0.569 0.000 -1.372) 1.486 3.405 ( 0.259 0.000 -0.861) 0.899 3.412 ( 0.753 0.000 -0.144) 0.766 3.569 ( -0.978 0.000 0.222) 1.003 3.588 ( -0.955 0.000 -0.514) 1.084 3.633 ( 1.561 0.000 0.883) 1.794 3.659 ( 1.657 0.000 1.086) 1.981 3.937 ( 1.090 0.000 0.849) 1.381 3.979 ( 0.821 0.000 1.024) 1.313 4.031 ( -0.017 0.000 -0.268) 0.268 4.091 ( -0.201 0.000 -1.043) 1.063 4.202 ( 2.115 0.000 -1.407) 2.540 4.309 ( -2.331 0.000 -3.401) 4.123 4.377 ( 2.260 0.000 1.028) 2.482 4.399 ( -2.921 0.000 1.118) 3.128 4.765 ( 0.735 0.000 0.416) 0.845 4.853 ( 0.392 0.000 -1.042) 1.113 4.915 ( -0.115 0.000 -0.360) 0.378 4.920 ( -0.309 0.000 0.165) 0.350 5.256 ( 0.261 0.000 0.833) 0.873 5.294 ( -0.520 0.000 1.178) 1.288 5.400 ( 0.042 0.000 -0.635) 0.636 5.497 ( 0.537 0.000 -1.824) 1.901 5.542 ( 0.517 0.000 -0.145) 0.537 5.599 ( 0.631 0.000 0.595) 0.867 5.613 ( -0.830 0.000 2.125) 2.282 5.717 ( -0.572 0.000 -0.211) 0.609 6.226 ( 1.876 0.000 0.694) 2.000 6.313 ( -2.161 0.000 1.690) 2.743 6.363 ( 0.074 0.000 -1.276) 1.278 6.406 ( 0.138 0.000 -0.339) 0.366 6.638 ( -0.333 0.000 0.317) 0.460 6.661 ( 0.302 0.000 0.529) 0.609 6.698 ( -0.113 0.000 -0.552) 0.563 6.707 ( 0.246 0.000 0.116) 0.272 6.707 ( 0.367 0.000 0.360) 0.514 6.722 ( -0.593 0.000 -0.145) 0.611 6.759 ( 0.211 0.000 -1.477) 1.492 6.792 ( 0.236 0.000 -0.604) 0.649 8.578 ( 1.341 0.000 0.034) 1.342 8.682 ( -1.656 0.000 1.329) 2.123 8.687 ( 1.150 0.000 -0.760) 1.379 8.739 ( -1.065 0.000 -0.651) 1.248 8.831 ( -2.260 0.000 0.056) 2.261 8.838 ( -0.541 0.000 -0.672) 0.862 8.862 ( 0.857 0.000 1.795) 1.989 8.911 ( 0.987 0.000 1.178) 1.536 9.100 ( 1.113 0.000 0.229) 1.136 9.180 ( -1.373 0.000 0.178) 1.384 9.230 ( -0.038 0.000 -1.837) 1.838 9.318 ( 0.147 0.000 -2.430) 2.435 9.407 ( -0.910 0.000 -0.737) 1.171 9.418 ( -0.179 0.000 -0.619) 0.645 9.444 ( 2.048 0.000 -1.998) 2.861 9.458 ( 0.288 0.000 -1.128) 1.164 9.774 ( -0.751 0.000 1.043) 1.285 9.802 ( -0.999 0.000 2.573) 2.760 9.958 ( 0.122 0.000 -0.922) 0.930 9.962 ( 0.726 0.000 -0.583) 0.931 10.203 ( 0.097 0.000 -0.195) 0.218 10.269 ( 2.901 0.000 -2.915) 4.112 10.400 ( 1.441 0.000 0.658) 1.584 10.404 ( -0.490 0.000 0.540) 0.729 10.476 ( -0.439 0.000 1.460) 1.525 10.627 ( 0.261 0.000 -1.299) 1.325 10.727 ( -2.098 0.000 1.099) 2.368 10.755 ( 0.314 0.000 -0.080) 0.324 11.147 ( 0.628 0.000 1.015) 1.194 11.154 ( -0.545 0.000 1.284) 1.395 11.158 ( -0.123 0.000 0.558) 0.571 11.176 ( -0.007 0.000 -0.031) 0.032 ======================= Grid point 28 (13/48) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -6.584 0.000 10.438) 12.341 0.679 ( -3.840 0.000 2.881) 4.801 0.711 ( -7.799 0.000 7.254) 10.652 0.853 ( -2.721 0.000 4.491) 5.251 0.901 ( 4.818 0.000 0.945) 4.910 0.902 ( -7.600 0.000 -0.246) 7.604 1.029 ( -4.892 0.000 1.222) 5.043 1.057 ( -1.118 0.000 4.755) 4.884 1.209 ( 3.296 0.000 1.266) 3.531 1.225 ( 4.431 0.000 -6.641) 7.984 1.233 ( 1.418 0.000 -6.368) 6.524 1.261 ( -0.107 0.000 0.630) 0.639 1.386 ( -1.772 0.000 -3.829) 4.220 1.454 ( 0.696 0.000 -4.081) 4.140 1.485 ( 1.568 0.000 -2.881) 3.281 1.578 ( 0.298 0.000 1.415) 1.446 1.579 ( -0.733 0.000 0.946) 1.197 1.639 ( 1.045 0.000 1.124) 1.534 1.724 ( 0.573 0.000 -3.316) 3.365 1.760 ( -2.019 0.000 -4.689) 5.105 1.870 ( 3.095 0.000 -0.405) 3.121 1.940 ( -0.588 0.000 3.295) 3.348 2.065 ( -0.206 0.000 4.305) 4.310 2.173 ( 3.612 0.000 0.740) 3.687 3.326 ( 0.328 0.000 0.035) 0.330 3.362 ( -0.352 0.000 -1.734) 1.769 3.402 ( -0.235 0.000 -1.368) 1.388 3.428 ( 0.610 0.000 0.333) 0.695 3.559 ( -0.171 0.000 0.765) 0.784 3.560 ( -1.246 0.000 -0.882) 1.527 3.661 ( 0.590 0.000 1.165) 1.306 3.683 ( 0.299 0.000 1.233) 1.268 3.960 ( 0.379 0.000 1.555) 1.601 3.973 ( -1.283 0.000 0.803) 1.514 4.048 ( 1.232 0.000 0.233) 1.254 4.086 ( 0.345 0.000 -1.183) 1.232 4.242 ( 0.932 0.000 -0.190) 0.951 4.266 ( -0.860 0.000 -2.999) 3.120 4.352 ( -0.744 0.000 -0.391) 0.841 4.426 ( 2.195 0.000 0.751) 2.319 4.762 ( -0.978 0.000 0.273) 1.016 4.857 ( 0.224 0.000 -0.795) 0.826 4.911 ( -0.508 0.000 -0.285) 0.583 4.925 ( 0.882 0.000 0.011) 0.882 5.254 ( -0.678 0.000 0.752) 1.013 5.296 ( 0.399 0.000 1.328) 1.387 5.397 ( -0.177 0.000 -0.909) 0.926 5.495 ( -0.282 0.000 -1.996) 2.016 5.558 ( 1.003 0.000 0.079) 1.006 5.594 ( -1.505 0.000 2.224) 2.685 5.596 ( -0.974 0.000 0.531) 1.109 5.721 ( 0.877 0.000 -0.058) 0.879 6.264 ( -1.667 0.000 2.037) 2.633 6.271 ( 0.969 0.000 0.364) 1.035 6.364 ( 0.426 0.000 -1.384) 1.448 6.404 ( -0.326 0.000 -0.315) 0.454 6.633 ( -0.185 0.000 0.103) 0.211 6.662 ( -0.261 0.000 0.568) 0.625 6.697 ( 0.069 0.000 -0.290) 0.298 6.704 ( -0.462 0.000 0.059) 0.465 6.710 ( 0.140 0.000 0.061) 0.152 6.729 ( 0.921 0.000 0.309) 0.971 6.763 ( 0.517 0.000 -1.324) 1.421 6.788 ( -0.451 0.000 -0.850) 0.962 8.609 ( 1.448 0.000 0.997) 1.758 8.642 ( -2.163 0.000 -0.117) 2.167 8.710 ( 1.140 0.000 0.197) 1.157 8.713 ( -1.317 0.000 -0.650) 1.468 8.789 ( -1.406 0.000 -1.195) 1.845 8.819 ( -0.957 0.000 -0.025) 0.957 8.882 ( 0.450 0.000 1.385) 1.457 8.930 ( 0.348 0.000 1.214) 1.263 9.110 ( -0.697 0.000 0.793) 1.056 9.169 ( 0.713 0.000 -0.437) 0.836 9.219 ( -0.412 0.000 -2.648) 2.680 9.299 ( -1.284 0.000 -1.892) 2.286 9.395 ( -0.096 0.000 -0.776) 0.782 9.413 ( -0.011 0.000 -0.852) 0.852 9.460 ( 0.140 0.000 -0.985) 0.994 9.477 ( 1.602 0.000 -1.392) 2.122 9.782 ( 1.099 0.000 1.350) 1.741 9.808 ( 0.743 0.000 1.950) 2.087 9.952 ( -0.316 0.000 -0.971) 1.022 9.960 ( -0.734 0.000 -0.675) 0.997 10.222 ( 1.665 0.000 0.708) 1.809 10.303 ( 1.405 0.000 -2.419) 2.797 10.379 ( -1.853 0.000 -0.604) 1.949 10.438 ( 1.839 0.000 0.214) 1.852 10.477 ( 0.117 0.000 1.459) 1.464 10.627 ( 0.107 0.000 -1.410) 1.414 10.706 ( -0.183 0.000 2.089) 2.097 10.751 ( -0.610 0.000 -0.338) 0.697 11.148 ( -0.342 0.000 0.893) 0.956 11.160 ( 0.152 0.000 0.577) 0.596 11.171 ( 1.372 0.000 1.903) 2.346 11.179 ( 0.309 0.000 0.179) 0.357 ======================= Grid point 29 (14/48) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( -3.526 0.000 11.458) 11.989 0.500 ( -11.429 0.000 11.576) 16.268 0.507 ( -13.044 0.000 11.759) 17.562 0.885 ( 2.713 0.000 5.014) 5.701 0.903 ( 5.776 0.000 1.198) 5.899 0.944 ( -2.974 0.000 0.116) 2.976 0.949 ( 1.376 0.000 1.660) 2.156 1.026 ( -1.637 0.000 2.690) 3.149 1.229 ( 2.144 0.000 -4.000) 4.538 1.251 ( -1.599 0.000 -0.972) 1.871 1.313 ( 3.266 0.000 -1.378) 3.545 1.356 ( 6.315 0.000 -3.753) 7.345 1.392 ( 4.588 0.000 -1.111) 4.721 1.473 ( 1.606 0.000 -4.277) 4.569 1.514 ( -0.742 0.000 1.315) 1.509 1.578 ( 0.194 0.000 1.106) 1.123 1.600 ( -0.513 0.000 1.938) 2.005 1.612 ( 1.166 0.000 -1.682) 2.047 1.702 ( -1.287 0.000 -5.032) 5.194 1.742 ( 1.367 0.000 -2.591) 2.930 1.918 ( -2.832 0.000 3.292) 4.342 1.927 ( 1.698 0.000 -0.031) 1.698 2.054 ( -1.536 0.000 1.874) 2.423 2.219 ( 0.738 0.000 -0.836) 1.115 3.342 ( 1.175 0.000 -0.170) 1.188 3.357 ( 0.264 0.000 -1.624) 1.645 3.389 ( -0.559 0.000 -1.551) 1.648 3.436 ( 0.016 0.000 0.267) 0.267 3.539 ( -0.521 0.000 -0.161) 0.546 3.570 ( 1.068 0.000 1.212) 1.615 3.662 ( -0.576 0.000 0.565) 0.807 3.676 ( -1.235 0.000 0.678) 1.409 3.948 ( -1.270 0.000 1.184) 1.736 3.954 ( -1.050 0.000 0.877) 1.368 4.066 ( 0.306 0.000 -0.081) 0.317 4.095 ( 0.400 0.000 -0.849) 0.938 4.222 ( -1.949 0.000 1.387) 2.392 4.258 ( 0.641 0.000 -1.965) 2.067 4.383 ( 3.174 0.000 -2.538) 4.064 4.459 ( 0.601 0.000 -1.202) 1.344 4.740 ( -1.046 0.000 0.628) 1.220 4.853 ( -0.448 0.000 -0.864) 0.973 4.908 ( 0.595 0.000 -0.028) 0.596 4.939 ( 0.374 0.000 0.008) 0.374 5.241 ( -0.573 0.000 0.780) 0.968 5.308 ( 0.261 0.000 1.332) 1.358 5.392 ( 0.150 0.000 -0.975) 0.987 5.470 ( -1.716 0.000 -2.282) 2.855 5.566 ( -1.245 0.000 1.120) 1.675 5.575 ( -1.003 0.000 0.632) 1.185 5.582 ( 0.691 0.000 1.084) 1.285 5.740 ( 0.826 0.000 -0.313) 0.883 6.218 ( -2.322 0.000 2.218) 3.211 6.310 ( 1.744 0.000 0.723) 1.888 6.373 ( 0.734 0.000 -1.107) 1.328 6.393 ( -0.600 0.000 -0.382) 0.711 6.632 ( 0.041 0.000 0.023) 0.047 6.657 ( -0.402 0.000 0.736) 0.839 6.695 ( -0.121 0.000 -0.239) 0.268 6.696 ( -0.295 0.000 -0.184) 0.348 6.717 ( 0.452 0.000 -0.070) 0.457 6.747 ( 0.647 0.000 0.232) 0.687 6.768 ( 0.037 0.000 -0.961) 0.961 6.774 ( -0.310 0.000 -1.139) 1.180 8.591 ( -1.995 0.000 -0.209) 2.006 8.650 ( 1.699 0.000 0.823) 1.887 8.685 ( -1.187 0.000 -0.427) 1.262 8.730 ( 0.829 0.000 0.131) 0.839 8.790 ( 2.244 0.000 1.064) 2.483 8.804 ( -0.594 0.000 0.934) 1.107 8.886 ( -0.357 0.000 1.008) 1.069 8.933 ( -0.138 0.000 1.483) 1.489 9.089 ( -1.212 0.000 1.126) 1.654 9.193 ( -1.810 0.000 -4.058) 4.443 9.193 ( 1.399 0.000 -0.810) 1.617 9.259 ( -1.963 0.000 -1.079) 2.240 9.393 ( 0.002 0.000 -0.656) 0.656 9.414 ( 0.384 0.000 -0.899) 0.977 9.458 ( -0.066 0.000 -0.847) 0.850 9.500 ( 0.948 0.000 -1.677) 1.927 9.819 ( 2.004 0.000 1.172) 2.322 9.832 ( 0.977 0.000 1.312) 1.636 9.930 ( -1.882 0.000 -0.441) 1.933 9.953 ( 0.954 0.000 -0.069) 0.957 10.269 ( 2.093 0.000 1.700) 2.697 10.318 ( 0.600 0.000 -3.056) 3.115 10.333 ( -1.904 0.000 -1.782) 2.608 10.440 ( -2.637 0.000 -2.964) 3.967 10.487 ( 0.341 0.000 1.534) 1.571 10.625 ( 0.052 0.000 -1.027) 1.029 10.734 ( -0.695 0.000 -0.366) 0.785 10.748 ( 3.866 0.000 3.837) 5.447 11.144 ( -0.294 0.000 0.539) 0.614 11.165 ( 0.129 0.000 0.478) 0.495 11.186 ( 0.180 0.000 0.134) 0.225 11.217 ( 2.687 0.000 2.168) 3.452 ======================= Grid point 30 (15/48) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 1.282 9.821 9.794) 13.929 0.481 ( 9.799 8.763 12.618) 18.221 0.668 ( -3.431 11.375 10.277) 15.709 0.830 ( -0.429 -0.864 4.877) 4.972 0.937 ( 0.667 1.625 -0.099) 1.759 0.960 ( -0.087 -3.667 1.643) 4.019 1.039 ( 1.453 2.941 3.054) 4.482 1.105 ( 1.084 2.658 2.268) 3.659 1.221 ( -2.017 1.626 -2.791) 3.808 1.245 ( 2.722 -3.552 -3.806) 5.874 1.327 ( -0.862 -1.705 0.926) 2.124 1.412 ( 1.658 -1.697 -1.666) 2.899 1.422 ( -0.209 -0.216 -1.116) 1.156 1.460 ( 2.084 -1.326 3.516) 4.297 1.506 ( -0.802 -1.624 -1.544) 2.380 1.541 ( 0.792 -2.487 -0.656) 2.691 1.612 ( 1.517 0.844 -0.914) 1.962 1.646 ( 3.255 -2.017 1.925) 4.286 1.690 ( 0.460 -2.592 -1.008) 2.819 1.767 ( -2.761 0.738 1.632) 3.291 1.781 ( 1.652 -3.656 -1.897) 4.438 1.973 ( -1.855 -1.578 -1.472) 2.846 2.015 ( -2.383 3.887 -0.711) 4.614 2.188 ( -1.967 -0.925 -2.415) 3.249 3.330 ( 0.223 -1.946 0.280) 1.978 3.351 ( -0.491 -1.592 0.186) 1.676 3.386 ( 0.946 0.554 -1.286) 1.690 3.443 ( -0.468 -0.069 -1.573) 1.643 3.548 ( 0.563 0.534 0.093) 0.781 3.573 ( 0.861 -0.596 1.032) 1.470 3.649 ( -1.037 0.508 -0.607) 1.305 3.665 ( -1.171 0.953 -0.400) 1.561 3.922 ( -0.905 -0.755 0.399) 1.244 3.931 ( -0.053 -0.404 1.193) 1.260 4.074 ( -0.701 1.155 -0.754) 1.547 4.099 ( 0.004 0.499 -0.836) 0.974 4.213 ( -1.093 1.532 -0.117) 1.885 4.289 ( 1.699 0.939 -0.640) 2.044 4.395 ( -0.205 -2.777 -1.558) 3.190 4.423 ( 0.324 -1.689 -1.950) 2.600 4.768 ( -0.063 2.132 -0.813) 2.282 4.860 ( -0.124 1.311 -1.285) 1.840 4.898 ( 0.189 -1.329 0.444) 1.414 4.954 ( 0.054 0.535 -0.786) 0.952 5.250 ( 0.263 0.986 0.657) 1.213 5.325 ( -0.464 0.747 0.696) 1.121 5.387 ( 0.266 -0.904 -1.017) 1.386 5.431 ( 0.558 -1.111 -0.889) 1.528 5.518 ( -0.921 -0.008 1.340) 1.626 5.597 ( 0.466 -0.182 1.002) 1.120 5.633 ( -0.100 3.204 0.083) 3.207 5.739 ( 0.159 -0.677 -0.540) 0.881 6.204 ( -0.595 1.228 1.798) 2.257 6.316 ( 0.248 -1.813 1.359) 2.279 6.379 ( 0.760 -0.686 -0.805) 1.302 6.386 ( -0.380 0.180 -0.290) 0.511 6.640 ( 0.270 0.217 0.165) 0.383 6.660 ( -0.238 0.814 0.557) 1.015 6.681 ( -0.138 -0.794 -0.447) 0.922 6.707 ( 0.425 0.383 0.614) 0.839 6.713 ( -0.409 -0.268 -1.141) 1.242 6.745 ( -0.146 -0.576 -0.310) 0.671 6.764 ( -0.005 -0.001 -0.474) 0.474 6.782 ( 0.323 0.176 -0.765) 0.849 8.580 ( -0.747 1.479 -1.169) 2.028 8.670 ( -0.201 0.191 -0.702) 0.755 8.687 ( 0.876 0.172 0.673) 1.118 8.719 ( 0.551 -2.032 0.116) 2.109 8.795 ( 0.218 -0.672 1.623) 1.770 8.833 ( 1.679 -1.355 2.389) 3.219 8.894 ( -0.373 1.111 -0.673) 1.351 8.956 ( -0.155 -0.502 0.193) 0.559 9.090 ( -0.390 0.374 -0.319) 0.628 9.128 ( 2.638 -0.820 -0.163) 2.767 9.222 ( -0.214 0.600 -0.641) 0.904 9.236 ( -0.112 0.315 -0.564) 0.656 9.384 ( -0.005 -0.474 -0.482) 0.676 9.410 ( 0.101 -1.055 -0.197) 1.078 9.464 ( 0.128 0.727 -1.039) 1.274 9.482 ( -0.722 -0.073 -1.177) 1.383 9.843 ( -1.155 -0.114 0.535) 1.278 9.847 ( 0.231 -0.376 1.249) 1.325 9.906 ( 0.965 0.177 0.053) 0.982 9.962 ( 0.231 -1.544 -0.497) 1.639 10.185 ( -2.988 -0.636 1.469) 3.390 10.251 ( -1.539 -1.128 0.042) 1.908 10.342 ( 1.254 -0.227 -0.055) 1.276 10.359 ( 0.764 -0.479 0.247) 0.935 10.585 ( -0.952 3.371 -2.223) 4.149 10.652 ( 0.143 2.380 -1.208) 2.673 10.716 ( -0.955 -1.085 -0.118) 1.450 10.786 ( 0.907 -2.427 0.232) 2.602 11.142 ( -0.238 0.218 0.224) 0.393 11.165 ( -0.232 -0.068 0.732) 0.771 11.177 ( -0.269 -0.687 -0.092) 0.743 11.199 ( -1.155 -1.441 1.157) 2.179 ======================= Grid point 31 (16/48) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 5.084 9.243 7.051) 12.689 0.614 ( 1.372 7.042 11.290) 13.377 0.783 ( 7.737 1.351 6.903) 10.457 0.814 ( -4.084 0.986 4.691) 6.297 0.900 ( -3.924 -3.045 4.177) 6.490 0.958 ( 2.213 2.406 -1.427) 3.567 1.041 ( -2.341 2.911 1.136) 3.904 1.087 ( -2.425 0.387 1.295) 2.777 1.184 ( 0.017 -0.157 -0.884) 0.898 1.292 ( -2.617 -1.739 2.447) 3.983 1.307 ( 3.468 -0.467 -1.263) 3.720 1.412 ( -0.399 -2.313 -0.233) 2.358 1.440 ( -2.974 -1.191 -0.655) 3.269 1.463 ( -1.812 -0.073 -1.671) 2.466 1.510 ( 2.062 -3.697 -0.582) 4.273 1.572 ( 3.397 -0.395 -0.881) 3.532 1.628 ( -1.123 0.094 -0.179) 1.141 1.658 ( -2.467 0.369 -0.945) 2.668 1.683 ( -1.056 -4.306 0.649) 4.481 1.700 ( -0.313 -0.487 0.523) 0.780 1.853 ( 1.642 0.264 -2.887) 3.332 1.945 ( 0.378 -1.307 1.561) 2.071 1.992 ( 1.665 3.588 0.338) 3.970 2.122 ( -3.194 -0.273 -4.420) 5.461 3.329 ( -0.424 -1.289 0.324) 1.395 3.352 ( 0.463 -1.950 0.515) 2.070 3.401 ( 0.706 0.091 -0.901) 1.148 3.414 ( -1.530 -0.289 -1.219) 1.977 3.561 ( 0.484 -0.072 0.532) 0.723 3.597 ( 0.585 -0.347 1.050) 1.251 3.630 ( -0.096 1.245 -0.881) 1.528 3.650 ( 0.107 0.996 -0.587) 1.161 3.913 ( 0.064 -0.528 0.404) 0.667 3.948 ( 1.400 -0.563 0.970) 1.794 4.051 ( -1.162 0.935 -0.955) 1.771 4.097 ( -0.057 0.231 -1.132) 1.156 4.198 ( -0.011 1.362 -0.917) 1.642 4.328 ( 1.894 0.696 0.635) 2.116 4.356 ( -1.976 -2.143 -3.065) 4.230 4.424 ( -0.765 -1.496 -0.031) 1.680 4.772 ( 0.745 2.181 -0.164) 2.311 4.859 ( 0.257 0.994 -1.172) 1.558 4.897 ( -0.377 -1.088 0.244) 1.177 4.949 ( -0.274 0.570 -0.783) 1.007 5.260 ( 0.406 1.194 0.764) 1.475 5.316 ( -0.544 0.933 0.646) 1.258 5.386 ( 0.125 -1.235 -0.698) 1.424 5.460 ( 1.668 -1.860 -1.580) 2.956 5.513 ( 0.209 -0.196 1.148) 1.183 5.601 ( -0.458 -0.646 1.072) 1.333 5.636 ( 0.262 2.922 0.389) 2.959 5.738 ( -0.142 -0.040 -0.616) 0.633 6.210 ( 0.692 1.309 1.344) 2.000 6.313 ( -0.765 -1.833 1.262) 2.353 6.375 ( -0.497 0.053 -0.304) 0.585 6.393 ( 0.631 -0.630 -0.670) 1.115 6.649 ( 0.475 -0.053 0.442) 0.651 6.655 ( -0.307 0.931 0.366) 1.047 6.679 ( -0.032 -0.938 -0.199) 0.960 6.700 ( -0.365 -0.308 -0.716) 0.861 6.718 ( 0.471 0.603 0.124) 0.775 6.741 ( -0.292 -0.130 -0.136) 0.347 6.758 ( -0.335 -0.224 -0.835) 0.927 6.786 ( 0.248 0.076 -0.271) 0.375 8.573 ( 0.381 1.321 -0.750) 1.566 8.671 ( 0.467 0.027 -0.930) 1.042 8.699 ( -0.061 -0.039 1.006) 1.009 8.723 ( -0.148 -2.099 -0.093) 2.106 8.813 ( 0.795 -0.695 1.898) 2.172 8.848 ( -0.618 -0.874 1.470) 1.818 8.896 ( 0.779 1.803 -0.880) 2.153 8.923 ( -1.855 0.818 0.655) 2.131 9.086 ( 0.402 0.510 0.520) 0.832 9.192 ( 0.059 -2.236 -0.546) 2.302 9.219 ( 0.733 0.081 -1.376) 1.561 9.265 ( 3.309 -1.090 -2.301) 4.175 9.387 ( 0.470 -0.735 -0.417) 0.967 9.408 ( -0.361 -1.110 -0.036) 1.167 9.457 ( -0.429 0.863 -1.111) 1.471 9.468 ( 0.009 0.819 -1.475) 1.687 9.805 ( -2.072 0.105 0.484) 2.130 9.828 ( -2.294 -0.658 2.344) 3.345 9.935 ( 1.379 -0.027 -0.276) 1.407 9.957 ( 0.126 -0.251 -0.219) 0.356 10.187 ( 1.952 -0.263 -0.299) 1.992 10.223 ( -0.509 -0.016 -0.426) 0.665 10.356 ( 0.001 -1.366 0.041) 1.367 10.378 ( 0.712 -1.221 0.636) 1.550 10.554 ( -1.275 3.895 -0.897) 4.195 10.649 ( 0.094 2.105 -0.839) 2.268 10.707 ( -0.395 -2.215 0.995) 2.460 10.780 ( -0.683 -0.508 -0.488) 0.981 11.140 ( 0.022 0.144 0.305) 0.338 11.159 ( -0.502 -0.127 0.971) 1.100 11.170 ( -0.371 -0.129 0.103) 0.406 11.178 ( -0.757 -0.191 0.576) 0.971 ======================= Grid point 32 (17/48) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -6.219 3.955 6.330) 9.715 0.700 ( -5.471 -0.842 2.742) 6.178 0.733 ( 8.341 3.619 4.813) 10.288 0.801 ( -4.017 -1.154 4.468) 6.118 0.899 ( -0.422 -5.929 1.667) 6.173 0.979 ( -1.434 1.587 1.858) 2.833 1.056 ( 0.227 1.233 0.548) 1.368 1.076 ( 3.766 4.459 0.346) 5.847 1.186 ( -0.911 1.742 -0.190) 1.975 1.215 ( -3.959 -3.558 -2.124) 5.731 1.315 ( -4.200 -0.017 -0.271) 4.209 1.370 ( 0.984 -1.009 -0.543) 1.510 1.416 ( -0.575 -1.799 1.618) 2.487 1.424 ( -0.538 1.213 -4.411) 4.607 1.495 ( -4.063 -0.222 -2.842) 4.963 1.565 ( -0.204 1.630 -3.447) 3.819 1.600 ( -3.105 0.838 -1.622) 3.602 1.642 ( 0.449 -0.331 1.115) 1.247 1.679 ( 0.898 -3.749 -0.838) 3.945 1.723 ( 2.461 -3.345 3.096) 5.180 1.848 ( -0.444 2.586 -3.323) 4.234 1.984 ( 1.521 -1.096 3.012) 3.548 2.032 ( -0.202 1.891 0.307) 1.927 2.098 ( 3.353 0.419 0.655) 3.442 3.320 ( -0.407 -0.777 0.328) 0.937 3.364 ( 0.410 -1.724 0.354) 1.807 3.381 ( -0.960 -0.405 -1.247) 1.625 3.416 ( 0.652 -0.562 0.041) 0.862 3.562 ( -0.323 -0.012 -0.443) 0.549 3.589 ( -0.993 -0.193 -0.655) 1.205 3.645 ( 1.230 0.919 0.356) 1.576 3.671 ( 1.421 0.863 0.996) 1.938 3.925 ( 0.780 -0.556 0.929) 1.335 3.989 ( 2.256 -0.929 0.578) 2.507 4.022 ( -1.462 0.845 -0.469) 1.753 4.088 ( -0.293 -0.309 -1.251) 1.322 4.216 ( 2.042 1.146 -1.638) 2.858 4.302 ( -1.782 -0.758 -3.327) 3.850 4.375 ( 1.892 -0.085 1.415) 2.364 4.389 ( -2.531 -0.742 1.221) 2.907 4.790 ( 0.623 1.881 0.051) 1.982 4.862 ( 0.323 0.951 -1.037) 1.443 4.888 ( -0.227 -1.334 -0.017) 1.353 4.942 ( -0.157 0.654 -0.710) 0.978 5.266 ( -0.108 0.801 0.631) 1.025 5.311 ( -0.020 1.582 0.746) 1.749 5.384 ( -0.101 -1.516 -0.740) 1.690 5.480 ( 0.736 -1.592 -1.784) 2.502 5.530 ( 1.090 -0.341 0.856) 1.427 5.586 ( -1.289 -1.062 1.572) 2.294 5.644 ( 0.288 2.555 0.603) 2.641 5.732 ( -0.217 0.754 -0.458) 0.909 6.236 ( 1.496 0.877 0.787) 1.905 6.294 ( -1.480 -1.252 1.327) 2.349 6.365 ( -0.324 -0.095 -0.645) 0.728 6.400 ( 0.237 -0.615 -0.574) 0.874 6.650 ( -0.335 1.033 0.288) 1.123 6.658 ( 0.231 -0.231 0.513) 0.609 6.677 ( -0.006 -1.040 -0.219) 1.063 6.700 ( 0.422 -0.115 0.178) 0.472 6.722 ( -0.132 0.327 -0.365) 0.508 6.736 ( -0.177 0.898 0.174) 0.932 6.752 ( 0.189 -0.604 -0.950) 1.141 6.789 ( -0.039 -0.309 -0.214) 0.378 8.589 ( 1.240 1.059 -0.149) 1.637 8.683 ( 0.848 -0.416 -0.711) 1.183 8.686 ( -1.408 0.364 1.046) 1.792 8.717 ( -0.391 -1.560 -0.535) 1.695 8.818 ( -1.206 -0.759 0.461) 1.498 8.833 ( -0.640 -0.519 0.236) 0.857 8.889 ( -0.310 2.028 0.559) 2.126 8.930 ( 1.213 1.253 -0.078) 1.746 9.101 ( 0.752 0.089 0.402) 0.857 9.170 ( -1.400 -1.105 -0.062) 1.785 9.227 ( 0.449 0.062 -1.905) 1.958 9.301 ( 0.606 -1.377 -2.278) 2.729 9.391 ( -0.290 -0.986 -0.424) 1.112 9.402 ( 0.195 -0.900 -0.111) 0.928 9.458 ( 0.855 0.759 -1.496) 1.883 9.467 ( 0.206 0.633 -1.373) 1.526 9.774 ( -0.907 0.018 1.184) 1.492 9.798 ( -0.935 -0.381 2.384) 2.589 9.952 ( 0.341 -0.268 -0.903) 1.001 9.963 ( 0.343 -0.125 -0.742) 0.826 10.201 ( 0.314 -0.144 -0.150) 0.376 10.256 ( 2.721 -0.907 -0.620) 2.934 10.344 ( -1.152 -2.820 0.044) 3.047 10.383 ( -0.357 -1.789 0.253) 1.842 10.542 ( 0.358 3.675 0.203) 3.698 10.653 ( 0.371 1.984 -0.709) 2.139 10.696 ( -0.892 -1.657 1.058) 2.159 10.770 ( -0.210 0.320 -0.670) 0.772 11.146 ( 0.457 -0.020 0.814) 0.934 11.153 ( -0.281 0.010 0.874) 0.918 11.164 ( -0.301 0.278 0.645) 0.764 11.172 ( 0.064 -0.288 0.009) 0.295 ======================= Grid point 33 (18/48) ======================= q-point: (-0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -3.620 2.444 2.849) 5.215 0.559 ( -8.095 -1.277 3.268) 8.823 0.766 ( -1.315 -0.577 3.272) 3.573 0.805 ( -6.606 -6.888 -0.594) 9.562 0.907 ( -3.030 4.585 4.473) 7.086 0.936 ( 7.086 1.784 2.524) 7.731 1.073 ( -0.838 1.712 0.639) 2.010 1.103 ( -0.293 3.518 0.449) 3.559 1.160 ( -1.092 0.501 -1.740) 2.114 1.196 ( 1.054 0.367 -0.242) 1.142 1.289 ( 2.361 0.395 -1.409) 2.778 1.349 ( -1.410 2.054 -5.481) 6.020 1.388 ( -0.514 -0.817 -0.178) 0.981 1.411 ( 1.133 -0.129 -0.413) 1.213 1.458 ( -0.279 -0.944 -2.204) 2.414 1.541 ( 0.929 0.550 -4.878) 4.996 1.562 ( -1.674 -3.408 0.387) 3.817 1.652 ( -0.196 -0.534 1.176) 1.306 1.695 ( 0.446 -1.603 -0.634) 1.780 1.767 ( 0.257 -4.609 -3.870) 6.023 1.824 ( 0.141 2.541 1.610) 3.011 2.006 ( 0.183 0.681 2.275) 2.382 2.046 ( 0.485 0.971 3.591) 3.751 2.175 ( 2.928 -0.075 1.179) 3.158 3.317 ( 0.067 -0.844 0.226) 0.876 3.359 ( -0.185 -0.286 -1.306) 1.350 3.377 ( 0.081 -1.369 0.150) 1.380 3.429 ( 0.569 -0.592 0.164) 0.837 3.553 ( -0.384 0.319 -0.628) 0.802 3.566 ( -0.830 0.018 -0.567) 1.005 3.665 ( 0.469 0.372 0.556) 0.817 3.694 ( 0.321 0.725 1.298) 1.521 3.940 ( 0.050 -0.899 1.401) 1.665 3.986 ( -1.869 -0.506 0.324) 1.963 4.040 ( 2.251 0.320 0.173) 2.280 4.088 ( 0.644 -0.011 -1.233) 1.391 4.256 ( 1.407 1.080 -0.851) 1.968 4.269 ( -0.496 0.180 -2.935) 2.983 4.342 ( -1.406 -0.654 0.226) 1.567 4.414 ( 1.449 -1.067 1.048) 2.082 4.787 ( -0.712 1.931 -0.091) 2.060 4.866 ( 0.365 0.813 -0.779) 1.184 4.890 ( 0.059 -1.162 -0.083) 1.166 4.941 ( 0.401 0.629 -0.739) 1.050 5.259 ( -0.624 0.524 0.455) 0.933 5.318 ( 0.421 1.872 0.968) 2.150 5.378 ( -0.266 -1.721 -0.971) 1.994 5.480 ( -0.229 -1.349 -1.808) 2.268 5.556 ( 0.665 -0.392 1.216) 1.440 5.562 ( -1.017 -0.529 1.514) 1.899 5.646 ( -0.253 2.533 0.573) 2.610 5.730 ( 0.222 0.544 -0.443) 0.736 6.260 ( -1.764 -0.495 1.353) 2.278 6.271 ( 1.170 0.248 0.932) 1.516 6.360 ( 0.140 -0.368 -0.961) 1.038 6.400 ( -0.100 -0.405 -0.506) 0.656 6.643 ( -0.349 0.786 0.007) 0.860 6.661 ( -0.022 -0.035 0.525) 0.526 6.682 ( 0.467 -0.794 0.379) 0.996 6.701 ( -0.462 -0.180 -0.489) 0.696 6.725 ( 0.152 0.637 0.409) 0.772 6.733 ( 0.354 0.360 -0.184) 0.537 6.761 ( 0.753 -0.290 -0.733) 1.090 6.781 ( -0.611 -0.540 -0.424) 0.919 8.620 ( 1.536 0.931 0.787) 1.961 8.651 ( -1.939 0.776 -0.263) 2.105 8.700 ( 0.738 -0.810 0.140) 1.104 8.703 ( -0.702 -0.852 -0.744) 1.331 8.785 ( -1.347 -0.179 -0.652) 1.508 8.817 ( -0.914 -0.417 -0.067) 1.007 8.895 ( 0.293 1.326 0.770) 1.561 8.946 ( 0.294 1.043 0.279) 1.119 9.106 ( -0.713 -0.371 0.722) 1.080 9.151 ( -0.068 -1.402 -0.905) 1.670 9.227 ( 0.130 0.724 -2.098) 2.224 9.289 ( -0.973 -0.763 -1.718) 2.117 9.387 ( 0.002 -0.606 -0.437) 0.748 9.405 ( 0.097 -0.812 -0.307) 0.874 9.466 ( 0.086 0.504 -1.124) 1.235 9.476 ( 1.051 0.009 -1.350) 1.711 9.781 ( 1.154 0.010 1.508) 1.899 9.804 ( 0.783 -0.345 2.024) 2.197 9.945 ( -0.665 -0.355 -1.020) 1.268 9.960 ( -0.467 -0.224 -0.831) 0.979 10.219 ( 1.402 -0.260 0.724) 1.600 10.300 ( 0.819 -0.154 -1.988) 2.156 10.316 ( -0.758 -5.024 1.565) 5.316 10.367 ( -1.123 -1.632 -0.409) 2.023 10.567 ( 1.794 3.358 -0.082) 3.808 10.655 ( -0.048 2.318 -1.215) 2.618 10.690 ( 0.397 -1.203 2.226) 2.561 10.761 ( -0.584 0.389 -1.018) 1.236 11.150 ( -0.248 0.147 0.796) 0.846 11.159 ( 0.222 -0.090 0.960) 0.989 11.167 ( 0.629 -0.188 0.872) 1.091 11.178 ( 0.474 -0.237 0.320) 0.619 ======================= Grid point 34 (19/48) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -2.208 5.484 6.180) 8.552 0.422 ( -5.832 4.539 6.864) 10.086 0.731 ( -0.512 0.874 5.433) 5.527 0.795 ( 0.598 0.175 1.423) 1.554 0.887 ( 1.136 2.558 4.726) 5.492 0.979 ( -3.372 3.739 2.664) 5.696 1.026 ( -0.044 4.902 1.128) 5.030 1.089 ( -0.981 3.934 0.808) 4.135 1.187 ( 3.147 -3.830 -0.616) 4.995 1.241 ( 2.104 -0.610 -3.001) 3.716 1.326 ( -0.002 1.970 -1.578) 2.524 1.369 ( 4.505 -2.498 -1.510) 5.368 1.392 ( 1.402 -0.306 -3.697) 3.965 1.449 ( 1.927 -1.759 -0.119) 2.612 1.476 ( 1.253 -1.276 2.671) 3.214 1.545 ( -0.056 -3.041 -0.460) 3.077 1.562 ( 2.256 -1.898 -3.373) 4.480 1.630 ( -1.342 0.616 0.525) 1.567 1.687 ( -0.648 -1.329 -0.853) 1.707 1.744 ( 0.336 -1.702 -4.644) 4.958 1.836 ( -1.362 -1.567 3.184) 3.801 2.002 ( -0.892 -0.778 0.635) 1.343 2.050 ( -0.967 2.728 1.848) 3.434 2.210 ( 0.276 -0.822 -0.281) 0.911 3.323 ( 0.367 -1.511 0.153) 1.563 3.359 ( 0.132 -0.682 -0.838) 1.089 3.376 ( 0.133 -0.358 -0.572) 0.688 3.440 ( 0.622 -0.117 -0.492) 0.802 3.543 ( -0.200 0.575 -0.337) 0.696 3.561 ( 0.228 -0.387 0.288) 0.534 3.665 ( -0.497 0.225 0.070) 0.550 3.689 ( -1.001 0.884 0.703) 1.509 3.935 ( -0.682 -0.853 1.172) 1.602 3.950 ( -1.700 -0.554 0.761) 1.944 4.073 ( 0.930 0.818 -0.309) 1.276 4.099 ( 0.456 0.301 -0.955) 1.101 4.241 ( -1.776 1.493 0.958) 2.510 4.267 ( 0.728 0.940 -1.861) 2.208 4.362 ( 2.685 -1.817 -2.242) 3.942 4.433 ( 0.109 -2.143 -0.577) 2.222 4.773 ( -0.412 2.129 -0.322) 2.192 4.869 ( -0.127 1.444 -1.036) 1.782 4.889 ( 0.270 -1.428 0.121) 1.458 4.951 ( 0.481 0.527 -0.675) 0.983 5.249 ( -0.340 0.691 0.465) 0.899 5.327 ( 0.062 1.346 0.979) 1.665 5.375 ( 0.470 -1.478 -1.029) 1.861 5.457 ( -1.576 -1.076 -1.621) 2.504 5.537 ( -1.274 -0.259 1.867) 2.275 5.581 ( 0.855 0.026 0.810) 1.178 5.639 ( -0.457 2.994 0.275) 3.041 5.736 ( 0.324 -0.387 -0.495) 0.707 6.224 ( -1.783 0.621 1.825) 2.626 6.298 ( 1.007 -0.912 1.132) 1.768 6.366 ( 0.655 -0.555 -0.959) 1.287 6.394 ( -0.296 -0.072 -0.391) 0.496 6.638 ( -0.078 0.445 -0.033) 0.453 6.662 ( -0.108 0.481 0.623) 0.795 6.688 ( -0.367 -0.639 -0.441) 0.858 6.696 ( 0.456 -0.070 0.555) 0.722 6.720 ( -0.180 0.290 -0.708) 0.787 6.747 ( 0.386 -0.050 0.204) 0.440 6.766 ( -0.413 -0.510 -0.625) 0.906 6.774 ( 0.633 0.097 -0.691) 0.942 8.608 ( -1.683 1.310 -0.636) 2.226 8.659 ( 1.660 0.774 0.665) 1.948 8.683 ( -0.775 -0.197 -0.870) 1.181 8.710 ( 0.092 -1.302 0.533) 1.410 8.783 ( 1.264 -0.522 0.595) 1.492 8.802 ( -0.465 -0.408 0.751) 0.973 8.899 ( 0.022 1.112 0.117) 1.118 8.947 ( -0.061 0.777 0.707) 1.052 9.089 ( -0.706 -0.051 0.797) 1.066 9.145 ( -0.785 -2.176 -1.968) 3.037 9.224 ( 0.102 1.048 -1.407) 1.757 9.258 ( -1.510 -0.037 -1.037) 1.833 9.386 ( -0.001 -0.523 -0.400) 0.658 9.407 ( 0.221 -0.845 -0.345) 0.939 9.464 ( 0.059 0.570 -0.987) 1.141 9.488 ( 0.416 -0.449 -1.168) 1.319 9.820 ( 1.943 0.087 1.136) 2.253 9.832 ( 1.180 -0.089 1.369) 1.810 9.920 ( -1.530 -0.419 -0.491) 1.661 9.951 ( 0.223 -0.432 -0.453) 0.664 10.254 ( 0.938 -1.537 1.508) 2.349 10.257 ( -2.795 -3.670 -0.336) 4.626 10.339 ( -1.135 -0.633 -0.876) 1.567 10.340 ( 1.186 -0.904 0.201) 1.505 10.595 ( 0.749 2.812 -2.019) 3.542 10.650 ( 0.100 1.799 -0.963) 2.043 10.733 ( 2.878 -1.138 2.759) 4.146 10.741 ( -0.974 0.370 -1.214) 1.600 11.146 ( -0.274 0.229 0.463) 0.585 11.164 ( 0.091 -0.052 0.634) 0.643 11.179 ( 0.151 -0.608 0.380) 0.733 11.196 ( 0.848 -1.174 1.391) 2.008 ======================= Grid point 35 (20/48) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 5.429 7.639 9.318) 13.215 0.686 ( 8.710 5.191 2.914) 10.550 0.759 ( 1.802 -0.414 7.828) 8.044 0.852 ( -0.111 -2.569 2.539) 3.614 0.906 ( -2.605 6.165 -2.074) 7.007 1.019 ( -1.810 1.579 -1.455) 2.808 1.135 ( -1.387 1.175 -1.402) 2.295 1.172 ( -2.434 4.058 0.567) 4.766 1.205 ( 0.529 1.997 -3.162) 3.777 1.245 ( 2.980 0.652 -0.827) 3.160 1.305 ( -4.004 0.855 1.449) 4.343 1.340 ( -0.162 -3.681 -2.007) 4.196 1.372 ( 3.699 -1.533 3.045) 5.031 1.414 ( 2.352 -4.233 1.560) 5.088 1.424 ( 0.067 -4.021 -1.914) 4.454 1.501 ( 0.742 -5.161 1.939) 5.563 1.580 ( -0.164 1.527 2.282) 2.750 1.628 ( -0.152 -2.028 1.238) 2.381 1.675 ( 2.682 2.045 1.482) 3.684 1.722 ( 1.653 -1.969 1.187) 2.832 1.814 ( -1.260 3.318 -0.853) 3.650 1.900 ( -1.433 -4.231 -1.108) 4.602 2.104 ( -1.869 3.458 -1.298) 4.139 2.159 ( -1.913 -1.787 -1.444) 2.990 3.300 ( 0.015 -0.553 0.821) 0.990 3.312 ( -0.437 -1.540 0.970) 1.871 3.403 ( 0.370 0.987 -1.148) 1.559 3.427 ( -0.312 -1.121 -1.377) 1.803 3.558 ( 0.482 0.550 0.460) 0.864 3.569 ( 0.787 -0.273 0.750) 1.121 3.664 ( -0.564 0.827 -0.955) 1.383 3.676 ( -0.994 -0.074 -0.858) 1.314 3.912 ( -0.562 -0.029 0.745) 0.934 3.919 ( -0.292 -0.569 0.950) 1.145 4.098 ( -0.505 0.886 -1.215) 1.586 4.107 ( -0.061 0.069 -1.171) 1.174 4.259 ( -1.019 2.725 -0.565) 2.963 4.319 ( 1.283 1.174 -1.045) 2.029 4.328 ( -0.491 -2.501 -0.936) 2.716 4.373 ( 0.920 -2.638 -1.537) 3.189 4.809 ( 0.017 1.902 -0.298) 1.926 4.850 ( -0.020 -1.827 -0.073) 1.828 4.914 ( 0.169 2.049 -1.287) 2.426 4.950 ( 0.078 -1.021 -1.390) 1.727 5.280 ( 0.642 1.798 -0.016) 1.910 5.320 ( 0.351 -1.544 -0.264) 1.605 5.378 ( -0.200 0.674 -0.450) 0.834 5.403 ( -0.446 -1.370 -0.643) 1.578 5.543 ( -0.667 1.869 1.502) 2.489 5.581 ( -0.140 -1.403 1.380) 1.973 5.691 ( 0.084 2.024 -0.338) 2.053 5.722 ( 0.237 -0.985 -0.479) 1.121 6.239 ( -0.138 1.861 1.336) 2.295 6.278 ( -0.047 -1.735 1.513) 2.302 6.368 ( 0.309 -0.004 -0.441) 0.538 6.379 ( -0.272 -0.707 -0.010) 0.758 6.645 ( 0.027 0.394 0.128) 0.416 6.660 ( -0.199 -0.954 -0.192) 0.993 6.682 ( 0.052 1.076 0.062) 1.079 6.700 ( 0.008 -0.607 -0.351) 0.701 6.720 ( -0.130 0.471 -0.197) 0.527 6.732 ( -0.139 -0.631 -0.249) 0.692 6.767 ( 0.032 0.345 0.206) 0.403 6.778 ( 0.228 -0.477 0.452) 0.695 8.617 ( -0.540 1.855 -1.520) 2.458 8.656 ( -0.104 -1.677 -1.651) 2.356 8.690 ( -0.011 0.547 0.225) 0.591 8.701 ( 0.288 -0.298 0.630) 0.754 8.787 ( 0.694 0.171 1.861) 1.993 8.805 ( 1.266 -1.267 1.982) 2.671 8.922 ( -0.056 1.318 -1.050) 1.687 8.945 ( -0.266 -0.752 -0.666) 1.040 9.095 ( 0.266 0.342 -0.001) 0.433 9.108 ( 1.217 -0.899 0.100) 1.516 9.234 ( -0.304 0.555 -0.880) 1.084 9.241 ( -0.203 -0.036 -0.880) 0.903 9.377 ( -0.008 -0.008 0.070) 0.071 9.387 ( 0.009 -0.871 0.282) 0.915 9.479 ( 0.087 0.572 -1.272) 1.397 9.485 ( -0.028 0.055 -1.341) 1.343 9.841 ( -0.869 -0.003 0.524) 1.015 9.842 ( -0.477 -0.110 0.517) 0.712 9.914 ( 0.837 0.619 0.104) 1.046 9.933 ( 0.407 -1.131 -0.017) 1.202 10.191 ( -0.622 0.951 0.917) 1.461 10.219 ( -0.500 -1.582 0.567) 1.754 10.341 ( 0.377 0.171 -0.447) 0.610 10.348 ( 0.451 -0.500 -0.323) 0.747 10.631 ( -0.548 1.717 -0.437) 1.855 10.668 ( -0.133 -1.551 0.710) 1.711 10.714 ( -0.747 1.562 -1.740) 2.455 10.747 ( 0.838 -1.462 -0.693) 1.822 11.149 ( -0.259 0.478 0.031) 0.544 11.161 ( -0.363 -0.552 0.289) 0.721 11.168 ( -0.033 0.171 0.317) 0.362 11.178 ( -0.279 -0.690 0.643) 0.984 ======================= Grid point 36 (21/48) ======================= q-point: ( 0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 1.288 5.370 5.490) 7.787 0.745 ( -2.315 2.830 9.324) 10.015 0.802 ( -3.207 -0.774 2.352) 4.051 0.823 ( -0.810 1.684 7.799) 8.020 0.870 ( -1.778 4.829 -3.583) 6.270 1.005 ( -0.023 -0.976 -3.145) 3.293 1.096 ( 0.432 2.821 0.524) 2.901 1.159 ( -0.073 -0.111 1.536) 1.542 1.185 ( -1.777 3.293 -0.507) 3.776 1.226 ( -3.388 -0.250 -0.179) 3.402 1.299 ( 3.282 -4.135 -3.831) 6.523 1.316 ( -1.961 -5.104 -5.567) 7.803 1.423 ( -0.711 1.890 5.177) 5.557 1.450 ( 1.851 -0.561 -1.442) 2.412 1.461 ( 3.916 -1.868 -2.214) 4.871 1.528 ( -2.056 -5.719 4.214) 7.395 1.566 ( 2.092 1.719 3.482) 4.410 1.628 ( -1.050 -2.324 0.601) 2.620 1.707 ( -1.287 1.826 -1.972) 2.980 1.711 ( -0.552 0.866 1.568) 1.875 1.860 ( 3.412 0.632 1.695) 3.862 1.895 ( 1.275 -2.408 1.592) 3.156 2.067 ( -0.531 2.745 -1.697) 3.271 2.107 ( -2.157 -1.119 -2.963) 3.832 3.305 ( 0.085 -0.616 0.790) 1.005 3.313 ( 0.314 -1.336 0.968) 1.680 3.401 ( -0.233 0.062 -0.467) 0.525 3.406 ( -1.156 -0.341 -0.967) 1.545 3.570 ( 0.319 0.689 0.134) 0.771 3.586 ( 0.341 -0.693 0.407) 0.873 3.656 ( 0.124 0.904 -0.920) 1.296 3.663 ( 0.330 0.196 -0.769) 0.860 3.911 ( 0.304 0.350 0.616) 0.771 3.927 ( 0.823 -1.089 0.695) 1.532 4.077 ( -0.972 1.218 -1.395) 2.091 4.095 ( -0.666 -0.433 -1.488) 1.687 4.240 ( -0.321 2.491 -1.473) 2.911 4.300 ( -1.134 -2.868 -2.232) 3.806 4.350 ( 1.351 1.327 0.523) 1.965 4.385 ( 0.135 -1.873 0.141) 1.883 4.815 ( 0.631 1.875 -0.219) 1.991 4.853 ( 0.235 -1.525 -0.112) 1.547 4.909 ( -0.305 1.887 -1.275) 2.298 4.944 ( -0.202 -1.069 -1.367) 1.747 5.292 ( 0.265 1.702 0.242) 1.739 5.325 ( 0.228 -0.908 -0.092) 0.941 5.370 ( -0.112 0.931 -0.544) 1.084 5.412 ( 1.197 -2.387 -1.185) 2.921 5.535 ( -0.327 1.844 1.328) 2.295 5.576 ( -0.710 -1.657 1.397) 2.281 5.694 ( 0.293 2.234 -0.216) 2.263 5.728 ( 0.423 -0.949 -0.449) 1.132 6.245 ( 0.389 1.777 1.211) 2.185 6.279 ( -0.313 -1.392 1.383) 1.987 6.369 ( -0.252 -0.219 -0.151) 0.367 6.376 ( 0.211 -0.777 -0.516) 0.956 6.648 ( 0.192 0.117 0.272) 0.353 6.657 ( -0.059 -0.665 -0.133) 0.681 6.684 ( 0.076 1.155 0.250) 1.184 6.697 ( -0.002 -0.114 -0.475) 0.489 6.719 ( 0.060 -0.089 -0.117) 0.158 6.730 ( -0.096 -0.871 -0.517) 1.017 6.765 ( -0.265 0.799 0.391) 0.928 6.781 ( -0.030 -0.554 0.554) 0.784 8.610 ( 0.245 1.972 -1.197) 2.320 8.653 ( 0.255 -1.882 -1.411) 2.365 8.693 ( 0.220 0.266 0.222) 0.410 8.703 ( -0.227 -0.425 0.582) 0.756 8.807 ( 0.501 0.339 1.958) 2.050 8.825 ( 0.063 -1.132 1.738) 2.075 8.927 ( 0.900 0.968 -1.388) 1.916 8.935 ( -0.283 0.163 -0.745) 0.814 9.102 ( 0.412 1.132 0.475) 1.295 9.138 ( 0.865 -2.221 0.044) 2.384 9.231 ( 0.354 0.756 -1.411) 1.639 9.248 ( 1.168 -0.768 -1.600) 2.124 9.378 ( 0.075 -0.009 0.208) 0.221 9.387 ( -0.106 -0.748 0.317) 0.819 9.474 ( -0.156 0.605 -1.316) 1.457 9.479 ( -0.084 0.144 -1.496) 1.505 9.808 ( -2.033 0.193 0.742) 2.173 9.815 ( -2.011 -0.484 1.336) 2.463 9.938 ( 1.092 0.279 -0.272) 1.160 9.947 ( 0.783 -0.526 -0.317) 0.995 10.194 ( 0.536 0.802 0.611) 1.142 10.214 ( 0.032 -0.839 0.424) 0.940 10.337 ( -0.650 -0.127 -0.420) 0.785 10.350 ( -0.185 -1.164 -0.119) 1.185 10.615 ( -0.811 2.089 -0.388) 2.274 10.656 ( -0.855 -1.858 0.723) 2.169 10.710 ( 0.478 2.500 -1.056) 2.756 10.756 ( 0.379 -1.676 -0.958) 1.967 11.145 ( -0.079 0.384 0.035) 0.394 11.155 ( -0.275 -0.379 0.209) 0.513 11.167 ( -0.105 0.024 0.252) 0.275 11.172 ( -0.434 -0.316 0.647) 0.841 ======================= Grid point 37 (22/48) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -8.332 4.645 -2.112) 9.770 0.713 ( -3.492 -0.308 2.374) 4.234 0.753 ( -5.381 -4.714 -0.151) 7.155 0.764 ( -1.843 -1.265 3.456) 4.116 0.875 ( 3.152 8.208 5.265) 10.248 1.006 ( 0.568 -1.312 5.081) 5.278 1.097 ( -1.766 2.585 -0.421) 3.159 1.147 ( -0.685 -1.484 -0.108) 1.638 1.165 ( -1.262 -0.068 -1.375) 1.867 1.193 ( -0.091 -1.494 -4.018) 4.288 1.243 ( -0.672 0.492 -5.826) 5.885 1.354 ( 2.269 -5.586 -5.312) 8.036 1.406 ( -0.325 3.696 3.289) 4.958 1.467 ( 0.542 1.759 -1.091) 2.140 1.494 ( -0.922 -0.872 -1.150) 1.713 1.542 ( 1.711 -5.769 1.310) 6.159 1.571 ( -3.428 2.034 -0.436) 4.010 1.628 ( 1.248 -1.665 2.789) 3.480 1.669 ( -2.111 2.997 -1.870) 4.115 1.701 ( -0.266 -0.406 1.560) 1.634 1.892 ( -0.234 1.466 0.395) 1.536 1.931 ( 0.797 -2.497 3.784) 4.603 2.080 ( 0.955 1.708 -0.266) 1.975 2.101 ( 2.850 -0.294 1.000) 3.034 3.306 ( -0.088 -0.110 0.561) 0.578 3.324 ( 0.346 -1.646 0.922) 1.918 3.383 ( -0.672 0.507 -0.218) 0.870 3.399 ( 0.092 -0.845 0.172) 0.867 3.569 ( -0.179 0.517 -0.673) 0.867 3.581 ( -0.592 -0.516 -0.661) 1.026 3.667 ( 0.881 1.031 -0.182) 1.369 3.681 ( 1.115 -0.145 0.411) 1.197 3.924 ( 0.650 0.549 0.739) 1.127 3.950 ( 0.954 -1.803 0.372) 2.073 4.057 ( -0.462 1.545 -1.039) 1.918 4.079 ( -0.249 -0.601 -1.537) 1.670 4.244 ( 1.181 1.412 -2.159) 2.837 4.276 ( -0.389 -1.496 -2.744) 3.150 4.373 ( 0.172 -0.067 1.526) 1.537 4.376 ( -0.831 -0.356 1.543) 1.788 4.828 ( 0.424 1.501 -0.169) 1.569 4.858 ( 0.192 -1.365 -0.060) 1.379 4.899 ( -0.110 2.101 -1.266) 2.456 4.937 ( -0.022 -1.147 -1.280) 1.719 5.290 ( -0.398 1.509 0.120) 1.566 5.329 ( 0.017 -1.639 -0.143) 1.645 5.372 ( 0.322 2.219 -0.659) 2.337 5.432 ( 0.873 -2.769 -1.398) 3.223 5.540 ( 0.377 1.017 1.437) 1.800 5.564 ( -0.762 -1.088 1.671) 2.134 5.699 ( 0.168 2.276 -0.122) 2.286 5.733 ( 0.127 -0.771 -0.470) 0.912 6.258 ( 0.391 0.915 1.001) 1.412 6.273 ( -0.534 -0.668 1.030) 1.339 6.363 ( -0.211 0.264 -0.318) 0.464 6.380 ( 0.277 -1.119 -0.605) 1.302 6.654 ( 0.240 -0.067 0.448) 0.513 6.658 ( 0.233 -0.467 0.152) 0.544 6.680 ( -0.512 1.429 -0.257) 1.539 6.700 ( 0.169 -0.191 -0.145) 0.293 6.719 ( 0.044 -0.154 -0.282) 0.324 6.731 ( 0.565 -1.018 0.229) 1.186 6.760 ( -0.402 1.031 0.314) 1.150 6.779 ( -0.370 -0.672 0.368) 0.851 8.620 ( 0.992 1.741 -0.529) 2.072 8.660 ( 0.686 -1.755 -0.739) 2.024 8.693 ( -0.780 0.153 0.391) 0.886 8.695 ( -0.260 -0.274 -0.186) 0.421 8.810 ( -0.776 0.065 0.810) 1.124 8.819 ( -0.766 -0.694 0.684) 1.239 8.931 ( 0.146 1.551 -0.769) 1.738 8.947 ( 1.037 0.106 -1.163) 1.562 9.108 ( -0.048 0.745 0.461) 0.877 9.136 ( -0.773 -1.712 -0.043) 1.879 9.239 ( 0.817 1.028 -1.944) 2.346 9.268 ( 0.957 -1.537 -2.079) 2.757 9.379 ( -0.150 -0.099 0.282) 0.335 9.385 ( -0.062 -0.620 0.266) 0.678 9.472 ( 0.341 0.459 -1.376) 1.490 9.476 ( 0.147 0.125 -1.377) 1.390 9.777 ( -0.974 0.312 1.541) 1.849 9.787 ( -0.898 -0.576 1.961) 2.232 9.951 ( 0.258 0.138 -0.861) 0.910 9.957 ( 0.247 -0.379 -0.793) 0.913 10.204 ( 0.397 0.624 0.462) 0.872 10.229 ( 0.991 -1.518 1.026) 2.083 10.316 ( -1.063 0.294 -0.752) 1.335 10.342 ( -0.498 -1.799 -0.232) 1.881 10.606 ( 0.120 2.351 0.156) 2.359 10.649 ( -0.043 -1.767 1.070) 2.066 10.714 ( 0.148 2.483 -1.126) 2.731 10.758 ( 0.088 -1.410 -1.061) 1.767 11.148 ( 0.284 0.205 0.403) 0.534 11.153 ( 0.027 -0.139 0.394) 0.418 11.166 ( -0.272 -0.056 0.592) 0.654 11.166 ( -0.011 -0.137 0.280) 0.312 ======================= Grid point 38 (23/48) ======================= q-point: (-0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -4.427 4.162 -3.745) 7.138 0.592 ( -7.812 -7.035 -3.330) 11.028 0.667 ( -1.120 4.231 2.177) 4.888 0.762 ( 0.666 -2.592 3.040) 4.050 0.993 ( 4.195 4.956 1.013) 6.572 1.024 ( 0.844 6.027 3.510) 7.025 1.086 ( 1.874 -0.864 1.265) 2.421 1.153 ( 0.876 -0.177 -3.601) 3.710 1.157 ( 1.741 -1.407 -2.802) 3.586 1.168 ( 1.094 -5.439 -0.855) 5.614 1.250 ( 0.005 1.576 -1.443) 2.137 1.352 ( -0.083 -3.311 -4.712) 5.760 1.418 ( -2.634 3.241 -1.456) 4.423 1.436 ( -2.624 1.193 4.079) 4.994 1.463 ( -0.975 0.787 -5.213) 5.361 1.522 ( 0.764 2.546 1.990) 3.320 1.562 ( -0.768 -4.405 -0.080) 4.472 1.617 ( -1.417 1.694 -0.665) 2.307 1.640 ( -0.437 -2.197 1.878) 2.923 1.702 ( -0.351 -2.338 -1.596) 2.852 1.880 ( -0.789 2.679 1.656) 3.247 1.948 ( -0.235 -3.505 3.077) 4.669 2.114 ( 1.441 3.047 1.862) 3.851 2.161 ( 2.060 -1.336 1.681) 2.975 3.304 ( -0.228 0.089 0.476) 0.536 3.327 ( -0.246 -1.852 0.767) 2.020 3.380 ( 0.348 1.077 -0.104) 1.137 3.407 ( 0.659 -1.260 0.148) 1.430 3.563 ( -0.236 0.302 -0.653) 0.757 3.565 ( -0.628 -0.034 -0.676) 0.923 3.680 ( 0.318 1.004 0.009) 1.053 3.699 ( 0.332 -0.455 0.637) 0.850 3.932 ( -0.227 0.321 1.033) 1.106 3.954 ( -0.727 -1.617 0.444) 1.828 4.065 ( 1.451 1.321 -0.690) 2.080 4.084 ( 1.063 -0.436 -1.350) 1.773 4.269 ( 0.807 0.150 -2.403) 2.539 4.273 ( 1.688 -0.055 -2.721) 3.203 4.345 ( -1.981 1.251 1.629) 2.854 4.382 ( -0.211 -1.834 1.451) 2.348 4.827 ( -0.425 1.587 -0.236) 1.660 4.858 ( -0.117 -1.357 -0.079) 1.364 4.902 ( 0.586 1.920 -1.122) 2.299 4.938 ( 0.452 -1.057 -1.271) 1.714 5.280 ( -0.491 1.538 -0.140) 1.620 5.323 ( -0.376 -2.286 -0.415) 2.353 5.377 ( 0.299 2.720 -0.368) 2.761 5.437 ( 0.018 -2.576 -1.221) 2.851 5.554 ( -0.036 0.213 1.932) 1.944 5.558 ( 0.262 -0.143 1.526) 1.555 5.699 ( -0.182 2.123 -0.172) 2.137 5.730 ( -0.230 -0.722 -0.558) 0.942 6.257 ( -0.737 0.380 0.959) 1.268 6.270 ( 0.056 -0.504 0.927) 1.057 6.360 ( 0.078 0.679 -0.421) 0.803 6.383 ( 0.139 -1.108 -0.422) 1.194 6.656 ( -0.333 0.368 0.223) 0.544 6.667 ( 0.358 -0.648 0.467) 0.875 6.671 ( 0.049 1.029 -0.105) 1.035 6.692 ( -0.465 -0.758 -0.635) 1.093 6.733 ( 0.878 0.483 0.752) 1.253 6.748 ( 0.083 -0.137 0.337) 0.374 6.749 ( 0.143 0.243 -0.217) 0.356 6.767 ( -0.719 -0.755 0.055) 1.044 8.646 ( 1.449 1.393 0.356) 2.042 8.668 ( -1.161 0.499 -0.436) 1.336 8.678 ( 0.811 -1.075 -0.025) 1.347 8.685 ( -0.677 -0.706 -0.791) 1.258 8.787 ( -1.249 0.394 0.026) 1.310 8.802 ( -1.016 -0.884 0.123) 1.352 8.932 ( 0.078 1.775 -0.601) 1.876 8.957 ( 0.111 -0.321 -0.813) 0.881 9.102 ( -0.696 0.216 0.320) 0.796 9.119 ( -0.608 -1.355 -0.584) 1.596 9.247 ( 0.348 1.084 -1.737) 2.077 9.270 ( -0.167 -0.993 -1.659) 1.941 9.377 ( -0.035 -0.104 0.147) 0.184 9.385 ( -0.042 -0.792 0.243) 0.830 9.476 ( 0.199 0.290 -1.233) 1.282 9.478 ( 0.551 0.083 -1.334) 1.446 9.785 ( 1.185 0.341 1.793) 2.177 9.794 ( 0.996 -0.514 1.990) 2.284 9.943 ( -0.700 0.168 -1.051) 1.274 9.951 ( -0.538 -0.488 -0.937) 1.186 10.216 ( 0.466 0.137 0.946) 1.064 10.237 ( -0.894 -2.139 1.327) 2.671 10.307 ( 0.777 0.804 -0.961) 1.475 10.333 ( -0.165 -1.502 -0.682) 1.658 10.619 ( 0.936 1.936 0.356) 2.179 10.657 ( 0.389 -1.646 1.275) 2.118 10.712 ( 0.104 2.462 -1.126) 2.709 10.753 ( -0.304 -1.207 -1.349) 1.836 11.154 ( 0.024 0.241 0.621) 0.666 11.159 ( 0.364 -0.052 0.792) 0.873 11.164 ( -0.016 -0.003 0.380) 0.380 11.170 ( 0.275 -0.431 0.338) 0.613 ======================= Grid point 39 (24/48) ======================= q-point: (-0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 4.519 4.752 2.582) 7.048 0.536 ( 3.929 -0.907 1.598) 4.337 0.683 ( 2.315 4.554 2.462) 5.671 0.809 ( 2.867 -3.723 1.591) 4.961 0.964 ( -2.213 5.949 -2.740) 6.914 1.088 ( -1.908 -2.905 -0.952) 3.604 1.130 ( 1.725 3.539 0.752) 4.008 1.172 ( 2.411 4.903 0.896) 5.537 1.192 ( 1.112 5.035 -0.721) 5.207 1.221 ( 0.564 1.444 0.404) 1.602 1.269 ( 4.623 -4.108 -0.325) 6.193 1.335 ( 0.105 -3.098 -0.384) 3.124 1.357 ( -0.004 -3.353 -1.301) 3.597 1.398 ( -3.388 0.495 2.490) 4.233 1.429 ( -0.556 -1.672 -3.181) 3.636 1.528 ( -2.093 -4.844 -0.130) 5.278 1.558 ( 1.289 3.253 0.935) 3.622 1.612 ( 1.096 -0.767 -0.491) 1.425 1.642 ( 0.085 -0.725 2.402) 2.510 1.693 ( 0.558 -2.586 -1.337) 2.964 1.859 ( -2.002 2.734 1.041) 3.545 1.934 ( -1.561 -3.913 0.961) 4.321 2.130 ( -0.395 3.314 0.790) 3.429 2.183 ( -0.198 -1.724 0.490) 1.803 3.301 ( -0.242 -0.154 0.625) 0.688 3.321 ( -0.572 -1.825 0.892) 2.110 3.392 ( 0.815 1.316 -0.757) 1.723 3.423 ( 0.826 -1.360 -0.748) 1.758 3.555 ( -0.213 0.356 -0.095) 0.425 3.559 ( 0.050 0.033 0.065) 0.089 3.678 ( -0.445 0.949 -0.413) 1.126 3.696 ( -0.695 -0.423 0.046) 0.815 3.924 ( -0.748 -0.012 1.072) 1.308 3.934 ( -1.189 -0.798 0.838) 1.659 4.094 ( 1.175 0.837 -0.925) 1.714 4.103 ( 0.845 -0.048 -1.153) 1.430 4.274 ( 0.054 1.551 -0.872) 1.780 4.302 ( 0.860 1.225 -1.514) 2.129 4.322 ( 0.446 -0.623 -0.738) 1.064 4.375 ( -0.588 -3.096 -0.182) 3.157 4.815 ( -0.486 1.833 -0.286) 1.918 4.854 ( -0.231 -1.755 -0.050) 1.771 4.910 ( 0.495 2.098 -1.269) 2.501 4.946 ( 0.584 -1.044 -1.272) 1.746 5.273 ( -0.016 1.636 -0.221) 1.651 5.317 ( -0.025 -2.191 -0.523) 2.253 5.380 ( 0.013 2.006 -0.144) 2.011 5.425 ( -0.955 -1.931 -0.854) 2.318 5.551 ( -0.532 1.182 1.887) 2.289 5.574 ( 0.438 -0.789 1.430) 1.692 5.693 ( -0.206 1.974 -0.305) 2.008 5.723 ( -0.215 -0.882 -0.577) 1.075 6.244 ( -0.690 1.239 1.154) 1.828 6.274 ( 0.033 -1.371 1.228) 1.841 6.363 ( 0.273 0.566 -0.404) 0.747 6.383 ( -0.087 -0.941 -0.141) 0.956 6.648 ( -0.303 0.587 0.029) 0.661 6.667 ( -0.357 -1.108 -0.046) 1.165 6.678 ( 0.361 0.892 0.081) 0.966 6.693 ( 0.544 -0.414 0.002) 0.684 6.730 ( -0.729 0.620 -0.300) 1.003 6.742 ( -0.706 -0.447 -0.005) 0.836 6.759 ( 0.601 0.088 0.240) 0.653 6.768 ( 0.589 -0.543 0.304) 0.857 8.638 ( -1.180 1.423 -1.073) 2.138 8.667 ( -0.541 -1.227 -1.261) 1.840 8.679 ( 1.279 0.922 0.288) 1.603 8.693 ( 0.283 -0.417 0.474) 0.692 8.774 ( 0.215 -0.031 0.716) 0.748 8.786 ( -0.369 -0.902 0.762) 1.237 8.929 ( -0.219 1.423 -0.742) 1.620 8.951 ( -0.310 -0.484 -0.456) 0.733 9.090 ( -0.240 0.332 0.192) 0.453 9.107 ( -0.429 -1.283 -0.737) 1.541 9.244 ( -0.265 0.787 -1.063) 1.349 9.256 ( -0.768 -0.287 -1.031) 1.317 9.377 ( 0.003 -0.117 0.078) 0.141 9.386 ( 0.026 -0.855 0.251) 0.892 9.478 ( 0.316 0.545 -1.208) 1.362 9.485 ( 0.417 -0.122 -1.279) 1.351 9.824 ( 1.776 0.219 1.203) 2.156 9.828 ( 1.506 -0.202 1.313) 2.008 9.920 ( -1.072 0.447 -0.636) 1.324 9.936 ( -0.544 -0.869 -0.539) 1.158 10.212 ( -1.516 -0.452 0.985) 1.864 10.224 ( -0.053 -1.297 1.084) 1.691 10.329 ( 1.018 0.076 -0.429) 1.107 10.335 ( 0.684 -0.359 -0.906) 1.190 10.635 ( 0.360 1.551 -0.083) 1.594 10.665 ( 0.078 -0.811 0.655) 1.045 10.722 ( 1.026 0.573 -0.479) 1.269 10.740 ( -0.541 -0.594 -1.566) 1.760 11.154 ( -0.183 0.438 0.323) 0.574 11.165 ( -0.051 -0.565 0.530) 0.777 11.166 ( 0.104 0.260 0.455) 0.534 11.177 ( 0.186 -0.698 0.578) 0.925 ======================= Grid point 50 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -5.193 0.000 12.701) 13.722 0.683 ( 4.911 0.000 14.552) 15.358 0.831 ( 4.099 0.000 8.522) 9.456 0.881 ( 0.454 0.000 3.579) 3.607 0.934 ( -2.843 0.000 3.960) 4.874 1.052 ( -2.507 0.000 -1.869) 3.127 1.108 ( 1.279 0.000 -1.480) 1.956 1.116 ( 1.512 0.000 7.531) 7.681 1.189 ( 4.996 0.000 -5.107) 7.144 1.278 ( 2.385 0.000 3.711) 4.411 1.321 ( 4.851 0.000 -2.163) 5.312 1.334 ( -1.383 0.000 -1.097) 1.765 1.376 ( -3.752 0.000 -1.136) 3.921 1.453 ( -1.839 0.000 -0.082) 1.841 1.539 ( 6.707 0.000 0.148) 6.709 1.569 ( 1.132 0.000 0.643) 1.301 1.592 ( -1.585 0.000 -0.510) 1.665 1.657 ( 2.808 0.000 -2.633) 3.850 1.695 ( 3.347 0.000 -0.360) 3.366 1.775 ( 0.291 0.000 -1.346) 1.377 1.823 ( -3.226 0.000 -2.959) 4.378 1.844 ( -4.697 0.000 -4.244) 6.331 2.014 ( -0.323 0.000 1.314) 1.353 2.121 ( -4.181 0.000 -3.684) 5.572 3.346 ( 0.988 0.000 -0.461) 1.091 3.358 ( 0.518 0.000 -0.903) 1.041 3.366 ( 0.149 0.000 0.773) 0.787 3.417 ( -0.857 0.000 -0.958) 1.285 3.567 ( 1.416 0.000 1.620) 2.151 3.603 ( 1.241 0.000 0.260) 1.268 3.630 ( -1.973 0.000 -0.953) 2.191 3.633 ( -1.583 0.000 -1.035) 1.891 3.948 ( -1.027 0.000 1.578) 1.883 3.970 ( -0.206 0.000 2.058) 2.068 4.041 ( -0.347 0.000 -1.576) 1.613 4.064 ( -0.062 0.000 -2.071) 2.072 4.209 ( -2.271 0.000 1.138) 2.540 4.263 ( 2.918 0.000 -1.069) 3.108 4.384 ( -3.008 0.000 -2.119) 3.680 4.394 ( 3.216 0.000 -1.979) 3.777 4.751 ( -0.190 0.000 1.338) 1.351 4.815 ( 0.023 0.000 -1.615) 1.615 4.925 ( 0.705 0.000 0.031) 0.706 4.933 ( -0.548 0.000 -0.300) 0.625 5.268 ( -0.100 0.000 2.022) 2.024 5.344 ( -0.566 0.000 1.893) 1.976 5.367 ( 0.457 0.000 -2.125) 2.173 5.418 ( 0.883 0.000 -1.533) 1.769 5.565 ( -1.153 0.000 1.173) 1.645 5.579 ( 0.047 0.000 0.519) 0.521 5.631 ( 0.480 0.000 1.923) 1.983 5.724 ( 0.009 0.000 -1.748) 1.748 6.247 ( -1.271 0.000 3.254) 3.493 6.354 ( 0.863 0.000 0.481) 0.988 6.360 ( 1.023 0.000 -1.757) 2.033 6.369 ( -0.573 0.000 -0.536) 0.784 6.647 ( 0.506 0.000 0.859) 0.997 6.669 ( -0.554 0.000 0.942) 1.093 6.686 ( 0.007 0.000 -0.474) 0.474 6.693 ( 0.354 0.000 0.176) 0.396 6.702 ( -0.573 0.000 -1.108) 1.248 6.742 ( -0.017 0.000 -1.589) 1.589 6.750 ( -0.429 0.000 -0.191) 0.469 6.753 ( 0.863 0.000 -0.554) 1.026 8.561 ( -0.650 0.000 0.744) 0.988 8.640 ( 0.042 0.000 -2.267) 2.267 8.707 ( 1.157 0.000 0.743) 1.375 8.722 ( 0.244 0.000 -0.671) 0.714 8.847 ( 0.351 0.000 2.333) 2.359 8.885 ( 0.888 0.000 0.479) 1.009 8.893 ( -1.081 0.000 1.069) 1.520 8.956 ( 0.220 0.000 -1.192) 1.212 9.098 ( -0.782 0.000 1.151) 1.392 9.129 ( 1.860 0.000 -0.500) 1.926 9.201 ( 0.698 0.000 -0.125) 0.709 9.224 ( -0.399 0.000 -0.689) 0.796 9.375 ( -0.107 0.000 -0.539) 0.550 9.398 ( 0.471 0.000 -1.258) 1.343 9.437 ( 0.026 0.000 -0.789) 0.789 9.449 ( -0.712 0.000 -1.717) 1.859 9.858 ( -1.265 0.000 1.041) 1.638 9.891 ( 0.846 0.000 1.401) 1.636 9.910 ( 0.641 0.000 0.262) 0.693 9.940 ( 0.585 0.000 -2.644) 2.708 10.217 ( -2.288 0.000 0.093) 2.290 10.241 ( -2.251 0.000 -1.083) 2.498 10.368 ( 2.809 0.000 1.171) 3.043 10.382 ( -1.229 0.000 0.551) 1.347 10.532 ( -0.322 0.000 2.015) 2.041 10.601 ( 0.269 0.000 -1.332) 1.359 10.731 ( 0.455 0.000 0.610) 0.761 10.793 ( -0.250 0.000 -1.968) 1.984 11.148 ( -0.191 0.000 0.479) 0.516 11.168 ( -0.068 0.000 -0.308) 0.315 11.190 ( -0.340 0.000 0.598) 0.688 11.221 ( -0.998 0.000 -0.704) 1.222 ======================= Grid point 51 (26/48) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 2.509 0.000 9.954) 10.265 0.787 ( 1.559 0.000 11.517) 11.622 0.879 ( -2.702 0.000 -0.044) 2.702 0.905 ( 2.084 0.000 0.228) 2.097 0.963 ( 2.991 0.000 6.313) 6.986 0.992 ( -9.731 0.000 5.315) 11.088 1.019 ( -0.023 0.000 -1.912) 1.912 1.134 ( 1.374 0.000 -2.633) 2.970 1.256 ( -2.373 0.000 0.563) 2.439 1.258 ( -4.729 0.000 3.706) 6.008 1.326 ( 4.751 0.000 -4.319) 6.421 1.363 ( -3.628 0.000 0.331) 3.643 1.411 ( 0.685 0.000 -2.452) 2.546 1.422 ( 3.847 0.000 -1.708) 4.209 1.542 ( -3.710 0.000 -0.551) 3.751 1.560 ( -3.053 0.000 2.773) 4.125 1.586 ( -1.544 0.000 -6.094) 6.287 1.623 ( -4.973 0.000 -4.332) 6.595 1.724 ( -2.037 0.000 -4.077) 4.557 1.733 ( 3.052 0.000 1.831) 3.559 1.760 ( -0.427 0.000 -1.883) 1.931 1.882 ( 5.035 0.000 -0.221) 5.039 2.036 ( -1.215 0.000 -2.253) 2.559 2.071 ( 3.383 0.000 4.661) 5.759 3.359 ( -0.457 0.000 1.297) 1.375 3.361 ( 0.243 0.000 -1.040) 1.068 3.369 ( 0.276 0.000 -1.721) 1.743 3.401 ( -0.102 0.000 -0.309) 0.326 3.594 ( -1.256 0.000 -0.411) 1.321 3.598 ( -1.497 0.000 -1.129) 1.875 3.611 ( 2.235 0.000 1.544) 2.716 3.638 ( 1.880 0.000 0.757) 2.027 3.945 ( 0.231 0.000 2.055) 2.068 3.982 ( 0.773 0.000 1.740) 1.905 4.030 ( -0.292 0.000 -0.749) 0.804 4.061 ( 0.362 0.000 -1.955) 1.989 4.178 ( -0.880 0.000 0.206) 0.904 4.309 ( -3.373 0.000 -2.595) 4.256 4.326 ( 3.292 0.000 -0.507) 3.331 4.432 ( 0.612 0.000 -0.792) 1.001 4.761 ( 0.818 0.000 1.366) 1.592 4.818 ( 0.588 0.000 -1.595) 1.700 4.917 ( -0.811 0.000 -0.485) 0.945 4.931 ( -0.195 0.000 0.174) 0.261 5.274 ( 0.149 0.000 1.839) 1.845 5.336 ( -0.703 0.000 1.940) 2.063 5.371 ( 0.537 0.000 -2.090) 2.158 5.439 ( 1.210 0.000 -2.305) 2.603 5.553 ( -0.376 0.000 1.410) 1.460 5.591 ( 0.870 0.000 0.509) 1.008 5.648 ( 0.543 0.000 1.778) 1.859 5.716 ( -0.308 0.000 -1.442) 1.474 6.240 ( -0.217 0.000 2.713) 2.721 6.350 ( -0.757 0.000 -0.802) 1.102 6.361 ( -0.362 0.000 0.758) 0.840 6.379 ( 0.940 0.000 -1.641) 1.892 6.658 ( -0.246 0.000 1.031) 1.060 6.665 ( 0.355 0.000 0.920) 0.986 6.685 ( -0.053 0.000 -1.143) 1.144 6.696 ( 0.361 0.000 -0.346) 0.500 6.703 ( 0.513 0.000 0.289) 0.588 6.734 ( -0.272 0.000 -1.501) 1.525 6.735 ( -0.830 0.000 -0.200) 0.854 6.768 ( 0.680 0.000 -0.775) 1.031 8.564 ( 0.676 0.000 1.078) 1.272 8.644 ( 1.006 0.000 -1.711) 1.985 8.722 ( -0.163 0.000 -1.662) 1.670 8.723 ( 0.101 0.000 0.828) 0.834 8.844 ( -1.200 0.000 0.078) 1.202 8.883 ( -1.057 0.000 0.305) 1.100 8.887 ( 0.351 0.000 2.287) 2.313 8.931 ( -1.366 0.000 0.199) 1.381 9.094 ( 0.111 0.000 0.687) 0.696 9.182 ( 1.842 0.000 -2.604) 3.190 9.206 ( -0.310 0.000 0.396) 0.503 9.230 ( 1.645 0.000 -1.688) 2.357 9.380 ( 0.939 0.000 -0.754) 1.204 9.404 ( 0.378 0.000 -1.046) 1.112 9.423 ( -1.330 0.000 -0.751) 1.527 9.433 ( -0.159 0.000 -0.923) 0.936 9.826 ( -1.734 0.000 1.619) 2.373 9.891 ( -1.567 0.000 1.749) 2.348 9.930 ( 1.019 0.000 -0.569) 1.167 9.931 ( -0.286 0.000 -2.181) 2.199 10.206 ( 1.195 0.000 1.862) 2.212 10.207 ( -0.865 0.000 -0.219) 0.892 10.374 ( 0.317 0.000 -0.808) 0.868 10.412 ( 1.074 0.000 0.739) 1.304 10.524 ( -0.852 0.000 2.037) 2.209 10.601 ( 0.100 0.000 -1.401) 1.405 10.747 ( 0.667 0.000 0.578) 0.883 10.766 ( -1.491 0.000 -1.305) 1.982 11.151 ( 0.355 0.000 0.697) 0.782 11.167 ( 0.080 0.000 -0.147) 0.167 11.183 ( -0.476 0.000 0.751) 0.889 11.196 ( -1.201 0.000 0.615) 1.349 ======================= Grid point 52 (27/48) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -10.677 0.000 8.564) 13.688 0.758 ( 7.542 0.000 3.805) 8.448 0.816 ( -4.239 0.000 3.413) 5.442 0.849 ( 0.754 0.000 1.250) 1.460 0.992 ( 2.470 0.000 3.675) 4.428 1.016 ( 0.141 0.000 -8.752) 8.753 1.064 ( 4.746 0.000 2.051) 5.170 1.104 ( -4.826 0.000 4.549) 6.632 1.146 ( -6.271 0.000 -2.876) 6.899 1.182 ( -3.086 0.000 4.254) 5.256 1.267 ( -2.440 0.000 -1.545) 2.888 1.310 ( -8.627 0.000 -0.554) 8.644 1.405 ( -0.454 0.000 -3.230) 3.262 1.415 ( 1.653 0.000 -5.179) 5.436 1.459 ( -6.643 0.000 2.296) 7.028 1.514 ( 1.802 0.000 -1.880) 2.604 1.583 ( 1.234 0.000 -1.795) 2.178 1.603 ( 2.429 0.000 -3.802) 4.512 1.679 ( -0.955 0.000 -2.643) 2.811 1.705 ( -3.856 0.000 -5.781) 6.950 1.809 ( 3.668 0.000 3.660) 5.182 1.968 ( 3.055 0.000 1.879) 3.586 2.093 ( 4.767 0.000 0.877) 4.848 2.131 ( 0.947 0.000 3.632) 3.753 3.347 ( -0.774 0.000 -1.286) 1.501 3.349 ( -0.803 0.000 1.536) 1.733 3.369 ( 0.176 0.000 -1.908) 1.916 3.414 ( 1.021 0.000 -0.092) 1.025 3.568 ( -1.159 0.000 -0.768) 1.391 3.577 ( -0.443 0.000 0.240) 0.504 3.657 ( 1.639 0.000 1.142) 1.998 3.677 ( 1.544 0.000 0.449) 1.608 3.968 ( 1.315 0.000 2.028) 2.417 4.000 ( 0.215 0.000 0.821) 0.849 4.030 ( 0.469 0.000 0.200) 0.510 4.062 ( 0.032 0.000 -1.641) 1.642 4.181 ( 1.345 0.000 -0.607) 1.476 4.244 ( -2.175 0.000 -2.629) 3.412 4.387 ( 2.646 0.000 -0.114) 2.649 4.413 ( -2.180 0.000 0.366) 2.211 4.780 ( 0.282 0.000 1.050) 1.087 4.827 ( 0.681 0.000 -1.427) 1.581 4.907 ( 0.222 0.000 -0.370) 0.431 4.921 ( -0.743 0.000 -0.080) 0.748 5.282 ( 0.038 0.000 1.691) 1.692 5.329 ( -0.417 0.000 2.270) 2.308 5.374 ( 0.189 0.000 -2.022) 2.031 5.448 ( 0.409 0.000 -2.824) 2.853 5.558 ( 0.449 0.000 1.565) 1.628 5.608 ( 0.460 0.000 0.179) 0.494 5.656 ( -0.400 0.000 2.035) 2.074 5.708 ( -0.025 0.000 -0.721) 0.721 6.254 ( 0.967 0.000 1.815) 2.057 6.335 ( -0.348 0.000 -1.371) 1.414 6.345 ( -1.521 0.000 1.407) 2.072 6.390 ( 0.477 0.000 -1.327) 1.411 6.650 ( -0.607 0.000 0.953) 1.130 6.675 ( 0.175 0.000 0.803) 0.822 6.684 ( 0.312 0.000 -0.841) 0.897 6.707 ( 0.521 0.000 -0.040) 0.523 6.717 ( 0.431 0.000 0.584) 0.726 6.720 ( -0.312 0.000 -0.070) 0.319 6.725 ( -0.005 0.000 -1.649) 1.649 6.773 ( 0.027 0.000 -1.190) 1.190 8.590 ( 1.479 0.000 1.225) 1.920 8.672 ( 2.075 0.000 -0.782) 2.217 8.704 ( -0.976 0.000 -2.194) 2.401 8.706 ( -2.205 0.000 1.015) 2.427 8.823 ( -0.264 0.000 -0.792) 0.835 8.838 ( -2.904 0.000 0.351) 2.925 8.903 ( 0.384 0.000 2.013) 2.050 8.931 ( 0.696 0.000 0.550) 0.888 9.106 ( 0.892 0.000 0.362) 0.962 9.182 ( -0.395 0.000 -2.500) 2.531 9.192 ( -1.175 0.000 1.099) 1.609 9.260 ( 1.273 0.000 -2.812) 3.087 9.395 ( -0.633 0.000 -0.347) 0.722 9.403 ( -0.284 0.000 -0.655) 0.714 9.410 ( 1.482 0.000 -1.106) 1.849 9.430 ( 0.315 0.000 -1.383) 1.418 9.808 ( -0.449 0.000 2.200) 2.245 9.861 ( -1.370 0.000 2.660) 2.992 9.923 ( -0.019 0.000 -2.290) 2.290 9.943 ( 0.445 0.000 -1.300) 1.374 10.205 ( 0.721 0.000 0.466) 0.858 10.244 ( 1.482 0.000 -0.069) 1.484 10.391 ( 1.626 0.000 -1.137) 1.984 10.412 ( -1.221 0.000 0.211) 1.239 10.514 ( -0.568 0.000 2.097) 2.173 10.598 ( 0.076 0.000 -1.660) 1.661 10.739 ( -0.750 0.000 0.262) 0.794 10.754 ( -0.103 0.000 0.025) 0.106 11.167 ( 0.924 0.000 0.763) 1.198 11.171 ( 0.143 0.000 0.390) 0.415 11.178 ( -0.074 0.000 0.482) 0.488 11.178 ( -0.700 0.000 0.894) 1.135 ======================= Grid point 53 (28/48) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -6.769 0.000 9.937) 12.024 0.752 ( -1.947 0.000 3.357) 3.880 0.847 ( 0.390 0.000 3.599) 3.620 0.895 ( -0.971 0.000 -0.521) 1.102 0.951 ( -4.337 0.000 2.406) 4.959 0.999 ( -1.025 0.000 8.252) 8.315 1.045 ( -5.186 0.000 1.663) 5.446 1.090 ( 7.463 0.000 -3.522) 8.253 1.134 ( 0.942 0.000 -1.005) 1.378 1.159 ( 1.054 0.000 2.547) 2.757 1.245 ( 3.061 0.000 1.969) 3.640 1.251 ( -0.942 0.000 -2.180) 2.375 1.323 ( -6.119 0.000 -0.056) 6.120 1.405 ( 1.800 0.000 -2.129) 2.788 1.437 ( 3.573 0.000 -2.365) 4.285 1.579 ( 2.770 0.000 -1.743) 3.273 1.601 ( 0.377 0.000 1.018) 1.086 1.609 ( 0.217 0.000 -4.955) 4.960 1.619 ( -2.189 0.000 -6.173) 6.550 1.671 ( 0.138 0.000 -0.409) 0.431 1.892 ( 2.814 0.000 2.419) 3.710 1.995 ( -0.817 0.000 -0.138) 0.829 2.126 ( -2.011 0.000 1.587) 2.562 2.175 ( 2.560 0.000 0.093) 2.562 3.332 ( -0.301 0.000 -0.921) 0.968 3.341 ( -0.195 0.000 0.979) 0.999 3.366 ( -0.032 0.000 -1.095) 1.096 3.430 ( 0.541 0.000 -0.597) 0.806 3.549 ( -0.576 0.000 0.239) 0.623 3.575 ( 0.096 0.000 0.369) 0.381 3.677 ( 0.062 0.000 0.342) 0.348 3.694 ( -0.065 0.000 -0.279) 0.287 3.991 ( -0.095 0.000 1.321) 1.325 3.994 ( -0.835 0.000 1.175) 1.441 4.044 ( 0.710 0.000 -0.692) 0.991 4.059 ( 0.466 0.000 -1.270) 1.353 4.211 ( -0.286 0.000 -2.226) 2.244 4.226 ( 2.988 0.000 -1.136) 3.197 4.356 ( -3.175 0.000 0.731) 3.258 4.428 ( 1.281 0.000 -0.386) 1.337 4.774 ( -0.903 0.000 0.918) 1.287 4.836 ( 0.345 0.000 -1.306) 1.351 4.904 ( -0.596 0.000 -0.296) 0.665 4.922 ( 1.015 0.000 -0.180) 1.031 5.280 ( -0.713 0.000 1.815) 1.950 5.335 ( 0.266 0.000 2.385) 2.399 5.367 ( -0.196 0.000 -1.960) 1.970 5.443 ( -0.163 0.000 -2.927) 2.931 5.576 ( 0.735 0.000 1.349) 1.537 5.605 ( -0.768 0.000 0.072) 0.771 5.643 ( -1.398 0.000 2.379) 2.760 5.714 ( 0.652 0.000 -0.666) 0.932 6.286 ( 1.701 0.000 1.095) 2.022 6.311 ( -2.164 0.000 2.267) 3.134 6.331 ( 0.417 0.000 -1.804) 1.852 6.391 ( -0.048 0.000 -0.899) 0.900 6.641 ( -0.432 0.000 0.732) 0.850 6.678 ( -0.122 0.000 0.904) 0.913 6.691 ( 0.410 0.000 -0.305) 0.511 6.704 ( -0.704 0.000 -0.000) 0.704 6.708 ( -0.118 0.000 -0.432) 0.448 6.732 ( 0.800 0.000 -1.433) 1.642 6.737 ( 0.863 0.000 0.475) 0.985 6.763 ( -0.589 0.000 -1.487) 1.599 8.626 ( 1.063 0.000 0.860) 1.367 8.651 ( -2.393 0.000 0.827) 2.532 8.676 ( -1.024 0.000 -2.511) 2.712 8.720 ( 2.218 0.000 0.374) 2.250 8.788 ( -1.491 0.000 0.752) 1.670 8.827 ( 0.323 0.000 0.609) 0.689 8.911 ( -0.045 0.000 1.306) 1.306 8.945 ( 0.426 0.000 0.203) 0.472 9.124 ( 0.430 0.000 0.518) 0.674 9.161 ( -0.911 0.000 -2.607) 2.762 9.173 ( -0.649 0.000 1.097) 1.275 9.262 ( -0.385 0.000 -1.903) 1.942 9.385 ( -0.230 0.000 -0.094) 0.248 9.394 ( -0.226 0.000 -0.790) 0.821 9.435 ( 0.391 0.000 -1.351) 1.406 9.439 ( 1.514 0.000 -1.881) 2.415 9.819 ( 0.884 0.000 2.290) 2.454 9.854 ( -0.061 0.000 2.328) 2.328 9.919 ( 0.331 0.000 -2.134) 2.160 9.940 ( -0.400 0.000 -1.307) 1.367 10.238 ( 2.274 0.000 0.739) 2.391 10.258 ( 0.390 0.000 -2.016) 2.053 10.369 ( -2.845 0.000 -0.354) 2.867 10.422 ( 1.143 0.000 -0.816) 1.404 10.515 ( 0.061 0.000 2.115) 2.116 10.597 ( 0.252 0.000 -1.750) 1.768 10.743 ( 0.969 0.000 1.176) 1.524 10.744 ( -0.707 0.000 -0.228) 0.743 11.164 ( -0.635 0.000 0.607) 0.879 11.172 ( -0.099 0.000 0.428) 0.440 11.184 ( 0.421 0.000 0.280) 0.506 11.196 ( 1.493 0.000 0.435) 1.555 ======================= Grid point 54 (29/48) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 2.629 0.000 14.840) 15.071 0.734 ( -8.186 0.000 8.933) 12.117 0.751 ( 0.360 0.000 8.754) 8.762 0.930 ( -4.309 0.000 -0.325) 4.321 0.961 ( -0.059 0.000 3.793) 3.794 0.982 ( 5.155 0.000 5.766) 7.734 1.026 ( 4.596 0.000 4.421) 6.377 1.137 ( -2.969 0.000 3.852) 4.864 1.144 ( 0.920 0.000 -1.183) 1.498 1.214 ( -0.091 0.000 0.848) 0.853 1.259 ( 1.796 0.000 -6.568) 6.809 1.319 ( 2.556 0.000 0.667) 2.642 1.334 ( 11.230 0.000 -1.671) 11.354 1.456 ( 2.510 0.000 0.969) 2.691 1.505 ( -3.830 0.000 -2.121) 4.378 1.558 ( 4.507 0.000 -2.953) 5.388 1.580 ( -0.859 0.000 -4.136) 4.224 1.619 ( 2.048 0.000 0.938) 2.252 1.635 ( -0.635 0.000 -0.689) 0.937 1.705 ( 4.344 0.000 0.235) 4.350 1.914 ( -1.050 0.000 -1.022) 1.465 1.935 ( -4.576 0.000 -2.537) 5.233 2.068 ( -3.484 0.000 -0.559) 3.529 2.187 ( -1.205 0.000 -1.808) 2.173 3.332 ( 0.440 0.000 -0.580) 0.728 3.347 ( 0.545 0.000 -0.054) 0.548 3.364 ( -0.046 0.000 0.132) 0.140 3.431 ( -0.224 0.000 -0.972) 0.997 3.547 ( 0.255 0.000 1.133) 1.162 3.583 ( 0.690 0.000 0.148) 0.706 3.664 ( -1.155 0.000 -0.406) 1.225 3.673 ( -1.670 0.000 -0.911) 1.902 3.973 ( -1.531 0.000 1.101) 1.886 3.978 ( -0.982 0.000 1.761) 2.016 4.049 ( 0.076 0.000 -1.647) 1.649 4.068 ( 0.391 0.000 -1.757) 1.800 4.220 ( 1.566 0.000 -1.701) 2.312 4.255 ( -1.724 0.000 1.618) 2.364 4.331 ( 2.434 0.000 -2.228) 3.300 4.431 ( -0.889 0.000 -1.231) 1.518 4.758 ( -0.793 0.000 1.134) 1.384 4.827 ( -0.614 0.000 -1.579) 1.694 4.906 ( 0.853 0.000 -0.050) 0.855 4.937 ( 0.326 0.000 -0.182) 0.373 5.269 ( -0.640 0.000 2.004) 2.104 5.345 ( -0.026 0.000 2.171) 2.172 5.362 ( 0.369 0.000 -1.964) 1.998 5.425 ( -0.719 0.000 -2.225) 2.338 5.584 ( -0.517 0.000 0.786) 0.941 5.587 ( -0.827 0.000 0.338) 0.894 5.624 ( -0.660 0.000 2.581) 2.664 5.724 ( 0.473 0.000 -1.355) 1.435 6.273 ( -2.065 0.000 3.049) 3.683 6.326 ( 1.699 0.000 0.676) 1.828 6.342 ( 1.061 0.000 -1.927) 2.200 6.383 ( -0.491 0.000 -0.521) 0.716 6.639 ( 0.055 0.000 0.709) 0.711 6.676 ( -0.339 0.000 1.126) 1.176 6.690 ( -0.271 0.000 -0.259) 0.375 6.692 ( -0.361 0.000 -0.126) 0.383 6.711 ( 0.243 0.000 -0.641) 0.686 6.741 ( 0.433 0.000 -1.571) 1.630 6.747 ( -0.250 0.000 -1.190) 1.216 6.751 ( 0.322 0.000 0.152) 0.356 8.589 ( -2.202 0.000 0.332) 2.227 8.652 ( -0.567 0.000 -2.531) 2.594 8.674 ( 1.771 0.000 1.175) 2.125 8.727 ( -0.733 0.000 0.188) 0.756 8.825 ( 3.857 0.000 1.355) 4.088 8.835 ( 0.178 0.000 1.920) 1.928 8.908 ( -0.594 0.000 1.052) 1.209 8.949 ( 0.051 0.000 -0.023) 0.056 9.116 ( -1.160 0.000 1.358) 1.786 9.134 ( -1.079 0.000 -1.890) 2.177 9.182 ( 1.062 0.000 -0.013) 1.062 9.242 ( -0.984 0.000 -0.901) 1.334 9.381 ( -0.215 0.000 -0.368) 0.426 9.393 ( 0.308 0.000 -1.089) 1.131 9.437 ( 0.178 0.000 -1.054) 1.069 9.456 ( 0.597 0.000 -2.087) 2.171 9.849 ( 1.265 0.000 1.710) 2.127 9.867 ( 0.758 0.000 1.750) 1.908 9.920 ( -1.149 0.000 -0.464) 1.239 9.927 ( 0.979 0.000 -2.020) 2.245 10.253 ( -0.420 0.000 -2.727) 2.759 10.290 ( 0.611 0.000 -1.641) 1.751 10.311 ( -0.530 0.000 1.621) 1.705 10.417 ( -1.544 0.000 0.015) 1.544 10.525 ( 0.281 0.000 2.090) 2.109 10.599 ( 0.344 0.000 -1.547) 1.585 10.731 ( -0.460 0.000 0.111) 0.473 10.777 ( 1.787 0.000 -0.125) 1.791 11.154 ( -0.501 0.000 0.434) 0.662 11.170 ( -0.073 0.000 -0.066) 0.099 11.191 ( 0.103 0.000 0.419) 0.431 11.224 ( 0.983 0.000 -0.748) 1.235 ======================= Grid point 55 (30/48) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 0.476 3.096 11.196) 11.626 0.771 ( 6.283 3.251 13.873) 15.573 0.832 ( 0.495 2.666 6.682) 7.212 0.891 ( -0.265 0.545 -1.222) 1.364 0.989 ( -5.791 1.349 4.212) 7.287 0.997 ( 0.691 -2.222 2.796) 3.638 1.083 ( -1.856 0.820 -4.147) 4.617 1.161 ( 2.922 -0.013 2.320) 3.731 1.179 ( 4.943 -2.153 4.488) 7.015 1.200 ( -0.151 -0.429 -0.239) 0.513 1.299 ( 2.793 -0.580 -3.815) 4.764 1.349 ( 1.782 -0.992 -3.880) 4.383 1.412 ( -1.392 0.421 -0.583) 1.567 1.464 ( -1.809 -1.543 -2.003) 3.109 1.520 ( 0.238 -3.090 0.272) 3.111 1.540 ( 1.135 -0.440 1.033) 1.597 1.616 ( 4.551 3.204 3.436) 6.540 1.659 ( 1.931 0.365 -2.375) 3.083 1.681 ( 1.705 -1.379 1.163) 2.482 1.712 ( -1.468 -3.223 -4.422) 5.665 1.800 ( -3.017 0.576 1.084) 3.257 1.944 ( -1.136 3.885 -2.280) 4.645 1.999 ( -0.893 -0.650 0.511) 1.216 2.124 ( -3.967 0.087 -3.461) 5.265 3.341 ( 0.704 -0.487 0.296) 0.905 3.355 ( -0.130 -0.765 0.923) 1.206 3.366 ( 0.429 0.458 -0.792) 1.011 3.412 ( -0.584 -0.511 -1.413) 1.612 3.565 ( 0.989 -0.034 1.390) 1.706 3.595 ( 0.944 -0.476 0.958) 1.427 3.631 ( -1.012 0.330 -1.059) 1.501 3.643 ( -1.652 0.345 -1.679) 2.381 3.942 ( -0.989 -0.409 1.759) 2.058 3.964 ( -0.154 -0.535 2.060) 2.134 4.047 ( -0.384 0.488 -2.027) 2.120 4.065 ( 0.058 0.085 -2.361) 2.363 4.220 ( -2.284 1.025 0.849) 2.644 4.270 ( 2.870 0.753 -1.134) 3.177 4.360 ( -1.770 -2.006 -1.473) 3.054 4.378 ( 1.943 -1.478 -2.081) 3.208 4.770 ( -0.110 1.571 0.818) 1.775 4.829 ( -0.007 1.199 -1.722) 2.098 4.906 ( 0.279 -1.385 0.369) 1.461 4.934 ( -0.052 -0.328 -1.018) 1.070 5.272 ( 0.144 0.368 1.547) 1.596 5.341 ( -0.195 -0.736 0.204) 0.788 5.361 ( 0.158 -0.087 -0.846) 0.865 5.408 ( 0.399 -0.882 -1.334) 1.649 5.557 ( -1.092 0.454 2.244) 2.537 5.610 ( 0.141 1.251 -0.024) 1.259 5.646 ( 0.211 1.330 1.272) 1.852 5.719 ( 0.102 -0.508 -1.521) 1.607 6.252 ( -0.914 0.543 2.784) 2.980 6.341 ( 0.140 -0.956 1.114) 1.474 6.353 ( 1.043 -0.560 -1.732) 2.098 6.377 ( -0.279 0.366 -0.617) 0.770 6.648 ( 0.436 0.103 0.645) 0.785 6.669 ( -0.295 -0.329 0.036) 0.443 6.676 ( -0.148 -0.059 0.257) 0.302 6.692 ( -0.302 -0.382 -0.802) 0.938 6.713 ( -0.013 0.714 -0.105) 0.722 6.736 ( 0.098 -0.479 -0.756) 0.900 6.752 ( 0.013 0.777 -0.113) 0.785 6.772 ( 0.248 0.970 -0.454) 1.100 8.570 ( -0.602 0.804 0.287) 1.045 8.636 ( 0.197 -0.417 -2.326) 2.371 8.699 ( 0.372 -0.481 0.605) 0.858 8.719 ( 0.423 -0.308 -0.157) 0.546 8.842 ( 0.567 -0.485 2.554) 2.661 8.870 ( 1.521 -1.247 1.098) 2.252 8.888 ( -1.009 -0.011 0.131) 1.017 8.945 ( -0.286 -0.865 -1.252) 1.549 9.098 ( -0.466 0.006 0.873) 0.990 9.123 ( 1.651 -0.491 -0.325) 1.752 9.208 ( 0.298 0.380 -0.513) 0.705 9.222 ( -0.433 -0.119 -0.822) 0.937 9.377 ( -0.090 0.211 -0.046) 0.234 9.401 ( 0.329 0.020 -0.644) 0.723 9.440 ( 0.029 0.235 -1.165) 1.189 9.449 ( -0.408 0.076 -1.589) 1.642 9.855 ( -1.209 -0.222 0.861) 1.500 9.878 ( 0.427 -1.002 1.259) 1.665 9.909 ( 0.800 0.108 0.170) 0.825 9.933 ( 0.380 -0.448 -1.780) 1.875 10.208 ( -0.950 -0.343 0.810) 1.295 10.245 ( -2.392 -0.110 -0.801) 2.525 10.348 ( 1.510 -1.275 0.827) 2.142 10.367 ( 0.395 -1.127 0.279) 1.226 10.575 ( -0.660 2.894 0.720) 3.054 10.626 ( 0.294 2.094 -1.344) 2.505 10.720 ( 0.057 -1.089 0.539) 1.216 10.770 ( -0.021 -1.876 -1.450) 2.372 11.148 ( -0.230 0.004 0.351) 0.420 11.166 ( -0.031 -0.243 -0.430) 0.495 11.185 ( -0.439 -0.387 0.701) 0.913 11.208 ( -0.516 -0.995 -0.150) 1.131 ======================= Grid point 56 (31/48) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 1.784 4.538 10.017) 11.140 0.823 ( -3.196 2.884 8.141) 9.209 0.837 ( -3.513 -4.351 -3.486) 6.590 0.880 ( -0.456 -0.440 3.341) 3.401 0.960 ( -0.377 -0.512 0.972) 1.162 0.984 ( 0.068 1.916 3.039) 3.593 1.056 ( 1.110 2.181 1.908) 3.103 1.142 ( -4.118 -4.593 2.972) 6.847 1.190 ( -1.098 1.948 0.116) 2.239 1.283 ( 4.402 -1.111 -1.772) 4.874 1.314 ( -4.612 -0.197 -2.413) 5.209 1.361 ( -0.127 -5.063 -1.310) 5.231 1.391 ( -0.327 0.027 -4.032) 4.045 1.432 ( -0.367 0.219 -1.559) 1.617 1.482 ( -2.158 -1.676 -2.935) 4.010 1.528 ( -2.349 -1.037 0.412) 2.601 1.615 ( 0.312 0.042 -1.993) 2.017 1.656 ( -4.329 1.750 -1.699) 4.969 1.675 ( -0.557 -1.148 -0.630) 1.424 1.721 ( 0.852 -1.556 -0.471) 1.836 1.812 ( 2.863 4.488 2.580) 5.916 1.956 ( 3.271 4.054 -0.749) 5.263 2.039 ( -1.689 0.273 -2.880) 3.350 2.055 ( 3.423 -1.411 4.710) 5.991 3.346 ( -0.516 -0.850 1.059) 1.453 3.359 ( 0.398 -0.618 0.216) 0.766 3.373 ( 0.256 0.321 -1.473) 1.530 3.397 ( -0.269 -0.264 -0.625) 0.730 3.576 ( -0.600 -0.763 0.687) 1.189 3.596 ( -1.050 -0.371 -0.833) 1.391 3.623 ( 1.148 0.678 0.071) 1.335 3.646 ( 1.880 0.575 0.260) 1.983 3.938 ( 0.119 -0.413 2.062) 2.107 3.977 ( 0.835 -0.780 1.826) 2.154 4.028 ( -0.765 0.278 -1.344) 1.571 4.062 ( 0.115 -0.167 -2.203) 2.213 4.188 ( -0.839 0.950 0.013) 1.268 4.295 ( -2.904 -1.286 -2.311) 3.928 4.333 ( 3.216 0.630 -0.405) 3.302 4.415 ( 0.920 -1.370 -0.660) 1.777 4.779 ( 0.770 1.499 0.893) 1.907 4.830 ( 0.465 1.056 -1.594) 1.968 4.900 ( -0.723 -1.232 0.079) 1.431 4.931 ( -0.096 -0.345 -0.847) 0.919 5.280 ( 0.161 0.492 1.230) 1.335 5.338 ( -0.382 0.075 1.409) 1.462 5.359 ( 0.215 -0.889 -1.810) 2.028 5.423 ( 1.135 -1.366 -1.888) 2.592 5.550 ( -0.155 0.441 2.326) 2.373 5.613 ( 0.127 0.973 0.085) 0.985 5.657 ( 0.323 0.915 1.526) 1.808 5.717 ( 0.152 -0.036 -1.509) 1.517 6.249 ( -0.061 0.877 2.362) 2.520 6.335 ( -0.828 -1.057 0.846) 1.587 6.367 ( -0.377 0.030 -0.537) 0.657 6.369 ( 0.706 -0.602 -1.542) 1.799 6.661 ( 0.525 -0.028 0.729) 0.898 6.664 ( -0.176 -0.072 0.291) 0.347 6.673 ( -0.242 -0.314 -0.202) 0.445 6.691 ( 0.387 -0.227 -0.210) 0.495 6.714 ( 0.139 0.428 -0.246) 0.513 6.733 ( -0.100 -0.102 -0.870) 0.882 6.749 ( -0.374 1.012 0.153) 1.090 6.777 ( 0.335 0.705 -0.584) 0.975 8.572 ( 0.643 0.716 0.674) 1.175 8.642 ( 0.983 -0.327 -1.808) 2.084 8.704 ( 0.031 -0.970 -0.350) 1.032 8.722 ( -0.251 -0.338 0.206) 0.469 8.849 ( -1.030 0.257 0.051) 1.063 8.862 ( -0.780 -0.973 1.335) 1.827 8.898 ( 0.739 0.154 0.715) 1.040 8.924 ( -0.935 -0.523 -0.476) 1.172 9.098 ( 0.269 0.416 0.593) 0.773 9.164 ( 1.549 -1.343 -1.655) 2.635 9.205 ( -0.424 -0.065 0.040) 0.431 9.224 ( 1.120 -0.510 -1.810) 2.189 9.381 ( 0.558 0.173 -0.083) 0.590 9.403 ( -0.140 -0.250 -0.238) 0.372 9.432 ( -0.349 0.722 -1.461) 1.667 9.436 ( -0.227 0.257 -1.110) 1.162 9.826 ( -1.580 0.060 1.478) 2.165 9.874 ( -1.308 -1.323 1.671) 2.501 9.924 ( 0.437 -0.049 -1.074) 1.160 9.935 ( 0.422 -0.058 -1.279) 1.348 10.203 ( -0.379 0.166 0.896) 0.987 10.220 ( 0.803 0.652 0.784) 1.298 10.349 ( -0.422 -1.708 -0.672) 1.884 10.388 ( 0.614 -1.894 0.290) 2.012 10.561 ( -0.771 2.741 1.166) 3.077 10.629 ( 0.329 2.247 -1.197) 2.567 10.721 ( -0.326 -1.954 0.505) 2.044 10.761 ( -0.171 -0.748 -1.049) 1.300 11.149 ( 0.292 -0.113 0.563) 0.644 11.166 ( 0.134 -0.279 -0.298) 0.430 11.177 ( -0.502 -0.288 0.861) 1.037 11.194 ( -0.770 -0.291 0.525) 0.976 ======================= Grid point 57 (32/48) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -8.410 -4.986 5.675) 11.304 0.741 ( -2.078 -2.093 1.332) 3.236 0.842 ( 2.537 2.340 3.493) 4.911 0.884 ( -0.722 2.614 3.727) 4.610 0.914 ( -3.006 -8.036 -0.764) 8.614 1.015 ( -0.232 0.997 1.697) 1.982 1.048 ( -4.005 -1.020 -2.052) 4.615 1.080 ( 0.457 0.731 -0.805) 1.179 1.160 ( -1.903 1.270 1.758) 2.885 1.212 ( -0.818 -1.427 0.744) 1.805 1.310 ( -3.988 -1.042 0.437) 4.145 1.328 ( -2.000 1.992 -3.935) 4.843 1.342 ( 0.669 0.208 -2.778) 2.865 1.399 ( -2.542 0.316 -7.319) 7.754 1.445 ( 1.104 -3.878 0.355) 4.048 1.524 ( -2.374 2.978 1.276) 4.017 1.563 ( -1.205 -1.126 -2.939) 3.370 1.646 ( 2.170 2.096 -1.844) 3.536 1.662 ( -0.359 -1.313 0.180) 1.373 1.706 ( -2.410 -0.590 -3.857) 4.586 1.857 ( 1.915 4.431 4.808) 6.813 2.016 ( 2.250 3.144 1.154) 4.034 2.081 ( 3.360 -1.233 2.117) 4.158 2.124 ( 2.425 -0.347 1.990) 3.156 3.335 ( -0.634 -0.705 0.680) 1.167 3.356 ( -0.729 0.267 0.129) 0.787 3.369 ( 0.182 -0.096 -1.079) 1.099 3.406 ( 0.908 -0.555 -0.586) 1.215 3.563 ( -0.727 -0.265 0.209) 0.801 3.573 ( -0.681 -0.300 -0.439) 0.864 3.656 ( 1.371 -0.015 0.684) 1.532 3.685 ( 1.579 0.437 0.126) 1.643 3.956 ( 0.943 -0.700 2.061) 2.372 4.002 ( 0.866 -1.784 0.659) 2.090 4.014 ( -0.108 0.764 -0.325) 0.837 4.055 ( -0.153 -0.677 -1.869) 1.993 4.190 ( 1.151 0.735 -0.797) 1.582 4.241 ( -1.677 -0.344 -2.411) 2.957 4.390 ( 2.283 0.220 0.041) 2.294 4.407 ( -1.642 -0.495 0.542) 1.798 4.796 ( 0.324 1.345 0.665) 1.535 4.836 ( 0.552 0.922 -1.397) 1.762 4.889 ( -0.082 -1.257 0.134) 1.267 4.924 ( -0.313 -0.201 -0.981) 1.049 5.283 ( -0.174 0.194 1.162) 1.191 5.335 ( -0.166 0.656 1.491) 1.637 5.360 ( 0.152 -1.305 -1.548) 2.031 5.435 ( 0.560 -1.229 -2.477) 2.822 5.562 ( 0.656 0.528 2.096) 2.259 5.613 ( -0.360 0.060 0.754) 0.838 5.663 ( -0.069 0.956 1.348) 1.654 5.716 ( 0.152 0.424 -1.108) 1.196 6.263 ( 0.852 0.846 1.700) 2.082 6.318 ( -1.032 -1.069 0.817) 1.696 6.351 ( -0.836 0.187 -0.477) 0.980 6.379 ( 0.533 -0.854 -1.471) 1.782 6.658 ( -0.622 0.654 0.593) 1.080 6.667 ( 0.184 -0.510 0.067) 0.546 6.676 ( 0.509 -0.546 0.275) 0.795 6.699 ( 0.115 -0.314 -0.309) 0.455 6.717 ( 0.458 0.159 -0.091) 0.494 6.736 ( 0.575 0.529 -0.391) 0.873 6.739 ( -0.613 1.186 0.113) 1.340 6.778 ( -0.142 0.383 -0.798) 0.896 8.597 ( 1.463 0.586 0.889) 1.809 8.667 ( 1.803 -0.592 -0.925) 2.111 8.693 ( -0.925 -0.638 -1.341) 1.750 8.705 ( -1.712 -0.189 0.659) 1.844 8.824 ( -0.738 0.027 -0.714) 1.027 8.833 ( -2.248 -0.388 0.489) 2.333 8.907 ( 0.197 0.352 1.068) 1.142 8.929 ( 0.937 -0.195 -0.090) 0.961 9.110 ( 0.673 0.358 0.468) 0.894 9.165 ( -0.758 -1.272 -0.935) 1.751 9.194 ( -0.513 0.053 -0.414) 0.662 9.247 ( 1.226 -1.149 -2.717) 3.194 9.391 ( -0.455 -0.253 0.380) 0.644 9.396 ( 0.296 -0.151 -0.332) 0.470 9.427 ( 0.305 0.782 -1.319) 1.564 9.434 ( 0.462 0.428 -1.637) 1.754 9.809 ( -0.444 0.139 2.153) 2.202 9.852 ( -1.053 -0.819 2.379) 2.727 9.923 ( -0.003 0.063 -1.884) 1.885 9.940 ( 0.260 -0.246 -1.386) 1.432 10.207 ( 0.784 0.221 0.637) 1.034 10.254 ( 1.374 0.780 0.286) 1.605 10.339 ( -0.196 -3.378 -0.397) 3.407 10.384 ( -0.912 -2.186 -0.185) 2.376 10.558 ( 0.146 2.904 1.227) 3.156 10.630 ( 0.065 2.449 -1.520) 2.883 10.715 ( -0.116 -1.756 0.799) 1.933 10.755 ( -0.349 -0.392 -0.706) 0.880 11.163 ( 0.865 -0.276 0.679) 1.133 11.170 ( -0.136 -0.423 0.658) 0.794 11.171 ( 0.192 0.025 0.199) 0.278 11.181 ( -0.596 -0.023 0.656) 0.887 ======================= Grid point 58 (33/48) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -3.615 -3.220 8.355) 9.656 0.681 ( -3.698 -2.816 7.274) 8.633 0.793 ( -3.862 -8.107 -1.043) 9.040 0.836 ( -1.517 -1.672 3.005) 3.759 0.928 ( 0.629 -0.092 0.658) 0.915 1.030 ( 1.966 3.702 2.601) 4.933 1.070 ( 3.194 0.003 -0.649) 3.259 1.120 ( 5.407 -1.310 0.915) 5.638 1.147 ( -0.345 0.444 0.625) 0.840 1.211 ( -4.368 4.917 -0.184) 6.579 1.238 ( 1.083 -2.255 1.232) 2.788 1.286 ( -0.956 2.949 -3.262) 4.500 1.329 ( -1.950 2.199 -2.972) 4.180 1.382 ( 2.956 -1.570 -2.582) 4.228 1.451 ( 0.038 2.469 -2.545) 3.546 1.505 ( 1.537 -3.296 3.654) 5.155 1.560 ( 0.171 -1.540 -0.751) 1.722 1.623 ( -2.004 -0.970 -6.196) 6.584 1.664 ( 0.128 0.135 -0.848) 0.868 1.684 ( 0.727 1.693 -0.146) 1.848 1.907 ( 0.650 1.852 4.560) 4.965 2.033 ( -0.798 2.016 -0.360) 2.198 2.107 ( -1.202 -0.916 1.853) 2.391 2.179 ( 2.176 0.137 -0.468) 2.230 3.326 ( -0.271 -0.428 0.119) 0.520 3.346 ( -0.242 0.305 0.904) 0.985 3.369 ( 0.027 0.144 -1.062) 1.072 3.420 ( 0.547 -0.849 -0.943) 1.382 3.550 ( -0.472 0.201 0.279) 0.584 3.568 ( 0.026 -0.440 0.523) 0.684 3.672 ( -0.005 -0.283 0.141) 0.317 3.702 ( 0.005 0.320 -0.622) 0.699 3.972 ( -0.224 -0.944 1.662) 1.925 3.995 ( -1.029 -0.961 0.638) 1.546 4.034 ( 1.302 -0.076 -0.769) 1.514 4.055 ( 0.829 -0.442 -1.816) 2.044 4.216 ( -0.062 0.335 -2.109) 2.136 4.228 ( 2.684 0.040 -1.486) 3.068 4.358 ( -3.069 0.295 1.093) 3.271 4.422 ( 0.693 -0.593 -0.150) 0.924 4.791 ( -0.796 1.414 0.537) 1.710 4.844 ( 0.473 0.831 -1.292) 1.608 4.889 ( -0.273 -1.137 0.075) 1.172 4.923 ( 0.681 -0.245 -0.967) 1.208 5.278 ( -0.691 -0.056 1.425) 1.584 5.342 ( 0.451 0.513 0.595) 0.906 5.354 ( -0.361 -1.073 -0.618) 1.290 5.434 ( 0.017 -0.876 -2.596) 2.740 5.583 ( 0.730 0.622 1.591) 1.858 5.601 ( -0.959 -0.092 1.522) 1.801 5.659 ( -0.643 1.290 0.806) 1.651 5.717 ( 0.235 0.162 -0.869) 0.915 6.288 ( 0.393 -0.082 1.494) 1.547 6.300 ( -0.432 -0.405 1.493) 1.606 6.336 ( -0.179 0.246 -1.192) 1.230 6.383 ( 0.208 -0.610 -1.107) 1.281 6.647 ( -0.525 0.454 0.443) 0.823 6.673 ( 0.195 -0.265 0.583) 0.669 6.686 ( 0.169 -0.506 -0.283) 0.604 6.694 ( 0.003 -0.490 -0.104) 0.501 6.723 ( -0.682 0.988 -0.216) 1.220 6.735 ( 0.719 0.489 -0.079) 0.873 6.749 ( 0.639 0.544 -0.096) 0.845 6.767 ( -0.568 0.302 -0.896) 1.103 8.630 ( 0.763 0.354 0.385) 0.925 8.656 ( -1.592 0.391 0.480) 1.708 8.669 ( -1.105 -0.499 -1.980) 2.322 8.709 ( 1.823 -0.867 0.432) 2.065 8.790 ( -1.347 0.168 0.766) 1.559 8.821 ( 0.085 -0.468 0.499) 0.689 8.911 ( -0.115 0.136 0.762) 0.783 8.945 ( 0.555 -0.166 -0.442) 0.729 9.120 ( -0.014 -0.354 0.499) 0.612 9.140 ( -1.335 -1.220 -0.154) 1.815 9.188 ( 0.248 0.811 -1.173) 1.448 9.252 ( -0.035 -0.832 -1.973) 2.141 9.384 ( -0.219 -0.042 0.217) 0.311 9.397 ( -0.072 0.012 -0.310) 0.318 9.438 ( 0.559 0.280 -1.554) 1.676 9.440 ( 0.853 0.167 -1.734) 1.940 9.821 ( 0.890 0.133 2.270) 2.442 9.849 ( 0.099 -0.508 2.077) 2.140 9.917 ( 0.041 -0.059 -1.684) 1.686 9.935 ( -0.350 -0.383 -1.446) 1.536 10.239 ( 2.075 0.061 1.066) 2.334 10.259 ( -0.510 0.068 -1.880) 1.949 10.340 ( -0.747 -2.595 0.547) 2.755 10.361 ( -0.535 -2.951 0.025) 2.999 10.571 ( 0.667 3.145 0.741) 3.299 10.625 ( 0.002 2.176 -1.737) 2.784 10.728 ( 1.067 -1.340 1.241) 2.115 10.741 ( -0.748 -0.432 -0.818) 1.190 11.164 ( -0.466 -0.032 0.498) 0.683 11.171 ( -0.275 -0.029 0.337) 0.436 11.181 ( 0.421 -0.253 0.376) 0.619 11.188 ( 1.147 -0.659 0.383) 1.378 ======================= Grid point 59 (34/48) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 3.371 0.463 11.105) 11.615 0.651 ( -1.263 -0.582 13.896) 13.965 0.805 ( 1.110 0.461 2.155) 2.468 0.856 ( 3.846 -5.694 4.976) 8.483 0.963 ( 1.612 -0.536 1.625) 2.351 1.055 ( 2.175 3.328 0.450) 4.001 1.091 ( -2.871 6.599 5.546) 9.085 1.124 ( -2.983 -1.331 0.208) 3.273 1.145 ( -1.249 1.401 1.003) 2.129 1.188 ( 2.065 -2.939 -1.525) 3.902 1.268 ( 0.142 2.884 -4.799) 5.601 1.316 ( 4.143 0.006 -1.682) 4.471 1.368 ( 6.519 -0.930 1.504) 6.754 1.442 ( 3.208 -1.392 -1.522) 3.813 1.485 ( 3.103 -1.050 -3.214) 4.590 1.510 ( -1.127 -1.379 0.517) 1.854 1.572 ( 0.753 -1.662 0.751) 1.973 1.615 ( 1.118 0.700 -2.152) 2.524 1.662 ( 0.666 0.409 1.137) 1.380 1.698 ( 1.321 -0.200 -0.702) 1.509 1.885 ( -3.755 -0.386 1.845) 4.201 1.991 ( -2.614 1.293 -2.024) 3.550 2.061 ( -3.147 0.723 -1.040) 3.392 2.187 ( -1.207 -0.142 -1.729) 2.114 3.328 ( 0.400 -0.287 0.042) 0.494 3.350 ( 0.261 -0.151 0.881) 0.931 3.365 ( -0.110 0.342 -0.634) 0.729 3.422 ( 0.008 -0.807 -1.322) 1.549 3.548 ( 0.242 0.275 0.856) 0.931 3.575 ( 0.573 -0.457 0.809) 1.091 3.659 ( -1.121 -0.206 -0.609) 1.292 3.683 ( -1.495 0.330 -1.334) 2.030 3.961 ( -1.061 -0.735 1.421) 1.920 3.973 ( -1.190 -0.581 1.604) 2.080 4.050 ( 0.587 0.168 -2.086) 2.174 4.068 ( 0.553 -0.074 -2.066) 2.140 4.226 ( 1.536 0.594 -1.652) 2.332 4.265 ( -0.866 0.856 0.862) 1.492 4.319 ( 1.279 -0.944 -1.563) 2.230 4.414 ( -1.328 -1.515 -0.929) 2.219 4.777 ( -0.668 1.509 0.666) 1.780 4.840 ( -0.443 1.131 -1.687) 2.079 4.892 ( 0.652 -1.205 0.214) 1.387 4.934 ( 0.433 -0.396 -0.829) 1.015 5.269 ( -0.380 0.074 1.586) 1.633 5.345 ( -0.098 -1.364 -1.006) 1.698 5.354 ( 0.397 0.590 0.755) 1.038 5.420 ( -0.704 -0.572 -2.004) 2.199 5.577 ( -1.321 0.344 1.879) 2.322 5.604 ( 0.419 0.714 0.944) 1.255 5.647 ( -0.588 1.646 0.696) 1.881 5.719 ( 0.194 -0.403 -1.163) 1.246 6.270 ( -1.473 -0.126 2.585) 2.978 6.323 ( 1.139 -0.276 1.173) 1.659 6.339 ( 0.733 -0.185 -1.647) 1.812 6.382 ( -0.050 -0.090 -0.775) 0.782 6.642 ( -0.025 0.282 0.482) 0.559 6.675 ( -0.222 -0.276 0.334) 0.487 6.680 ( -0.304 -0.246 0.097) 0.403 6.701 ( -0.047 -0.545 -0.875) 1.032 6.711 ( 0.012 0.803 0.358) 0.880 6.741 ( -0.331 0.079 -0.810) 0.879 6.750 ( 0.159 0.482 -0.555) 0.752 6.767 ( 0.425 0.827 -0.126) 0.938 8.596 ( -1.953 0.647 -0.120) 2.061 8.646 ( -0.504 -0.524 -2.319) 2.430 8.679 ( 1.498 0.401 0.872) 1.779 8.720 ( -0.535 -0.623 0.381) 0.905 8.813 ( 2.863 -0.805 1.616) 3.384 8.827 ( 0.242 -0.661 1.760) 1.895 8.906 ( -0.619 0.003 0.409) 0.742 8.948 ( 0.010 -0.275 -0.606) 0.665 9.111 ( -0.974 -0.434 1.204) 1.609 9.117 ( -0.585 -0.961 -0.674) 1.311 9.197 ( 0.808 0.949 -0.960) 1.573 9.238 ( -0.745 -0.286 -1.057) 1.324 9.381 ( -0.167 0.041 0.035) 0.176 9.397 ( 0.203 0.138 -0.586) 0.635 9.440 ( 0.183 0.240 -1.215) 1.252 9.452 ( 0.553 -0.181 -1.907) 1.994 9.849 ( 1.103 -0.013 1.586) 1.932 9.863 ( 0.716 -0.393 1.435) 1.652 9.910 ( -0.646 -0.433 -0.510) 0.930 9.928 ( 0.373 -0.175 -1.516) 1.571 10.233 ( -1.260 -1.085 -1.366) 2.152 10.292 ( 1.369 -1.435 1.980) 2.802 10.302 ( -0.958 0.409 -2.114) 2.357 10.365 ( 0.019 -2.615 1.323) 2.930 10.580 ( 0.040 3.089 0.415) 3.117 10.623 ( 0.300 1.996 -1.521) 2.527 10.725 ( -0.570 -0.565 -0.361) 0.880 10.758 ( 1.345 -1.710 0.059) 2.177 11.154 ( -0.493 0.057 0.323) 0.592 11.168 ( -0.101 -0.190 -0.176) 0.277 11.188 ( 0.024 -0.309 0.508) 0.595 11.208 ( 0.618 -1.184 -0.217) 1.353 ======================= Grid point 60 (35/48) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 4.227 6.644 5.120) 9.393 0.796 ( 6.100 0.378 6.273) 8.758 0.867 ( 1.049 0.495 -0.259) 1.188 0.927 ( -1.907 0.165 1.235) 2.278 0.956 ( 2.950 0.184 9.368) 9.823 1.007 ( -1.826 -1.092 4.468) 4.949 1.097 ( -2.406 0.609 -2.191) 3.311 1.139 ( 0.914 -0.442 -2.816) 2.993 1.167 ( 1.003 -0.025 -1.563) 1.858 1.225 ( 1.955 -0.836 -0.651) 2.223 1.292 ( 0.129 0.949 -1.345) 1.651 1.326 ( -1.667 1.888 -2.499) 3.548 1.366 ( -2.234 -3.499 -0.873) 4.242 1.391 ( -1.148 -3.347 -1.649) 3.904 1.493 ( 2.565 0.860 5.126) 5.796 1.565 ( 1.556 -2.766 2.503) 4.042 1.602 ( 3.547 0.608 0.060) 3.599 1.647 ( 0.118 -0.863 0.578) 1.045 1.681 ( -1.248 0.884 -2.795) 3.186 1.705 ( 0.591 0.196 -1.401) 1.533 1.843 ( 0.095 3.407 4.021) 5.271 1.922 ( 1.261 -3.445 4.122) 5.518 2.056 ( -2.862 3.535 -3.719) 5.875 2.112 ( -3.444 -1.512 -3.282) 4.992 3.329 ( 0.038 -0.267 1.813) 1.833 3.336 ( -0.261 -0.847 1.386) 1.645 3.380 ( 0.255 0.872 -0.955) 1.318 3.398 ( -0.119 -0.754 -1.322) 1.527 3.572 ( 0.461 0.639 0.851) 1.160 3.586 ( 0.640 -0.521 0.915) 1.232 3.639 ( -0.455 0.344 -1.502) 1.607 3.644 ( -1.073 -0.164 -2.104) 2.367 3.939 ( -0.768 0.183 1.965) 2.117 3.949 ( -0.423 -0.724 2.043) 2.208 4.058 ( -0.129 0.478 -2.730) 2.775 4.065 ( 0.056 -0.153 -2.794) 2.799 4.254 ( -2.200 2.139 0.249) 3.079 4.295 ( 2.553 1.370 -1.289) 3.172 4.309 ( -1.825 -2.432 -0.627) 3.105 4.337 ( 2.110 -2.120 -1.751) 3.466 4.810 ( -0.020 2.031 0.471) 2.085 4.847 ( -0.065 -0.703 -0.446) 0.835 4.886 ( 0.254 0.628 -1.014) 1.220 4.916 ( 0.070 -1.364 -1.744) 2.215 5.285 ( 0.512 0.900 0.501) 1.151 5.312 ( 0.545 -1.566 -0.548) 1.746 5.369 ( -0.415 0.656 -0.270) 0.822 5.387 ( -0.307 -0.952 -0.897) 1.343 5.583 ( -0.902 1.679 2.334) 3.013 5.614 ( -0.279 -0.852 1.631) 1.861 5.680 ( 0.275 1.513 -0.719) 1.697 5.704 ( 0.293 -0.827 -1.221) 1.504 6.272 ( -0.217 1.296 1.747) 2.186 6.307 ( 0.151 -1.888 0.998) 2.141 6.357 ( 0.150 0.802 -0.456) 0.934 6.375 ( -0.189 -0.579 -0.454) 0.759 6.651 ( 0.171 0.182 0.432) 0.499 6.658 ( -0.142 -0.461 0.023) 0.483 6.681 ( 0.007 0.285 -0.253) 0.381 6.686 ( -0.083 -0.169 -0.705) 0.730 6.722 ( -0.199 0.176 0.118) 0.291 6.727 ( -0.185 -0.360 -0.135) 0.427 6.774 ( 0.105 0.955 0.423) 1.050 6.784 ( 0.215 0.051 0.124) 0.254 8.592 ( -0.377 1.200 -0.707) 1.443 8.619 ( 0.058 -1.155 -1.760) 2.106 8.697 ( -0.097 0.331 0.391) 0.521 8.709 ( 0.248 -0.613 0.041) 0.662 8.833 ( 0.982 -0.075 2.440) 2.631 8.843 ( 1.480 -1.009 1.748) 2.502 8.899 ( -0.581 0.920 -1.124) 1.565 8.923 ( -0.473 -1.160 -1.521) 1.971 9.101 ( 0.234 0.302 0.550) 0.670 9.111 ( 1.004 -0.581 0.138) 1.168 9.214 ( -0.213 0.281 -0.904) 0.970 9.220 ( -0.399 -0.176 -1.093) 1.177 9.384 ( -0.027 0.415 0.619) 0.746 9.394 ( 0.031 -0.513 0.497) 0.715 9.447 ( 0.126 0.367 -1.759) 1.802 9.451 ( 0.002 0.014 -1.748) 1.748 9.852 ( -0.823 0.041 0.619) 1.031 9.859 ( -0.231 -0.631 0.756) 1.011 9.915 ( 0.662 0.391 -0.031) 0.769 9.924 ( 0.410 -0.423 -0.662) 0.886 10.211 ( -0.266 0.669 0.950) 1.192 10.231 ( -1.105 -1.002 0.318) 1.525 10.332 ( 0.622 -0.061 -0.129) 0.638 10.343 ( 0.376 -0.952 -0.229) 1.049 10.633 ( -0.596 2.485 0.538) 2.611 10.674 ( 0.773 1.303 -0.804) 1.715 10.687 ( -0.965 -1.064 -0.075) 1.439 10.725 ( 0.487 -2.097 -1.270) 2.500 11.150 ( -0.276 0.231 0.043) 0.363 11.158 ( -0.187 -0.464 -0.312) 0.589 11.180 ( -0.249 0.060 0.558) 0.614 11.188 ( -0.138 -0.693 0.265) 0.755 ======================= Grid point 61 (36/48) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -7.259 1.616 -0.094) 7.438 0.801 ( -1.310 4.274 0.477) 4.496 0.833 ( -3.814 -3.635 0.512) 5.294 0.877 ( -3.352 -1.468 0.935) 3.777 0.970 ( -1.137 4.086 6.203) 7.514 1.047 ( 3.342 1.916 5.959) 7.096 1.092 ( -0.516 2.002 -0.762) 2.203 1.129 ( -0.959 1.899 -1.591) 2.656 1.163 ( -1.057 -3.905 -5.227) 6.610 1.244 ( -2.251 -5.120 -0.920) 5.668 1.256 ( -2.651 -1.564 4.029) 5.070 1.279 ( -0.536 -0.762 2.333) 2.512 1.361 ( 0.838 -1.834 -6.374) 6.685 1.376 ( 1.654 -2.035 -5.189) 5.814 1.515 ( -1.795 2.540 2.929) 4.272 1.577 ( -3.663 0.937 -3.912) 5.441 1.593 ( 0.960 -0.284 1.043) 1.445 1.642 ( 1.041 -0.372 1.741) 2.062 1.683 ( -0.171 0.638 0.129) 0.673 1.708 ( 0.434 -0.793 -1.131) 1.448 1.910 ( 2.844 4.362 4.465) 6.859 1.987 ( 1.631 -2.216 4.310) 5.113 2.036 ( 2.776 0.764 -0.742) 2.973 2.047 ( -0.431 0.134 -2.466) 2.507 3.331 ( -0.326 -0.261 1.698) 1.749 3.339 ( 0.165 -0.906 1.417) 1.690 3.383 ( 0.142 0.509 -1.102) 1.222 3.391 ( -0.142 -0.289 -0.735) 0.803 3.572 ( -0.525 0.323 0.279) 0.676 3.584 ( -0.833 -0.671 -0.367) 1.131 3.638 ( 1.058 0.784 -0.790) 1.535 3.651 ( 1.564 -0.243 -0.505) 1.661 3.936 ( 0.033 0.365 1.954) 1.988 3.953 ( 0.239 -1.153 1.858) 2.200 4.041 ( -0.632 0.683 -2.149) 2.342 4.054 ( -0.417 -0.519 -2.447) 2.536 4.218 ( -1.094 1.744 -0.606) 2.146 4.259 ( -1.914 -1.954 -1.480) 3.110 4.352 ( 2.704 1.131 -0.363) 2.954 4.381 ( 1.750 -1.609 -0.440) 2.417 4.817 ( 0.518 1.852 0.443) 1.973 4.849 ( 0.386 -0.419 -0.410) 0.702 4.881 ( -0.445 0.537 -1.052) 1.263 4.911 ( -0.026 -1.425 -1.621) 2.158 5.295 ( 0.248 0.962 0.125) 1.001 5.321 ( 0.437 -1.385 -0.496) 1.535 5.360 ( -0.290 0.944 -0.225) 1.013 5.389 ( 0.622 -1.646 -1.002) 2.025 5.576 ( -0.404 1.708 2.469) 3.029 5.610 ( -0.531 -1.143 1.737) 2.146 5.687 ( 0.489 1.508 -0.494) 1.661 5.710 ( 0.554 -0.652 -1.293) 1.551 6.275 ( 0.128 1.480 1.574) 2.164 6.309 ( -0.377 -1.478 1.337) 2.029 6.357 ( 0.084 0.027 -0.957) 0.961 6.365 ( -0.545 -0.433 -0.558) 0.892 6.657 ( 0.066 -0.197 0.070) 0.219 6.658 ( 0.269 -0.194 0.515) 0.612 6.680 ( -0.063 0.503 -0.421) 0.659 6.689 ( 0.374 -0.184 -0.431) 0.600 6.718 ( -0.083 0.246 0.165) 0.308 6.727 ( 0.218 -0.435 0.152) 0.510 6.773 ( -0.242 1.062 0.375) 1.152 6.786 ( -0.044 -0.043 -0.032) 0.069 8.594 ( 0.649 1.257 -0.277) 1.442 8.623 ( 0.822 -1.339 -1.335) 2.061 8.697 ( -0.073 0.324 0.100) 0.347 8.710 ( -0.168 -0.733 0.101) 0.759 8.847 ( -0.478 -0.162 1.657) 1.733 8.850 ( -1.098 -0.317 0.409) 1.213 8.901 ( 1.069 0.365 -0.806) 1.388 8.912 ( 0.097 -0.602 -1.365) 1.495 9.112 ( 0.582 0.864 0.366) 1.104 9.135 ( 0.968 -1.269 -0.285) 1.621 9.205 ( -0.375 0.132 -0.832) 0.922 9.212 ( 0.161 -0.488 -1.613) 1.693 9.387 ( 0.159 0.335 0.640) 0.740 9.395 ( -0.153 -0.411 0.588) 0.733 9.442 ( -0.048 0.322 -1.703) 1.734 9.444 ( -0.056 0.229 -1.669) 1.685 9.831 ( -1.318 0.436 1.293) 1.898 9.847 ( -1.148 -1.073 1.376) 2.089 9.926 ( 0.415 0.223 -0.800) 0.929 9.931 ( 0.451 -0.209 -0.960) 1.081 10.213 ( -0.144 0.679 0.850) 1.098 10.226 ( 0.772 -0.298 0.940) 1.253 10.326 ( -0.934 -0.076 -0.620) 1.123 10.347 ( -0.129 -1.722 -0.221) 1.741 10.620 ( -0.643 2.592 0.723) 2.766 10.672 ( -0.520 -1.913 0.815) 2.143 10.685 ( 0.478 2.108 -1.356) 2.552 10.732 ( 0.459 -1.863 -1.191) 2.258 11.149 ( 0.165 0.129 0.278) 0.348 11.156 ( 0.068 -0.493 0.016) 0.498 11.176 ( -0.240 0.213 0.509) 0.602 11.184 ( -0.329 -0.486 0.458) 0.745 ======================= Grid point 62 (37/48) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -9.306 1.669 0.267) 9.458 0.713 ( -7.296 -9.023 -1.621) 11.716 0.738 ( -3.146 2.234 -0.513) 3.892 0.816 ( -2.340 -3.988 0.291) 4.633 0.984 ( -0.713 4.919 1.591) 5.219 1.041 ( -0.931 3.079 -0.082) 3.218 1.047 ( -2.928 -1.230 -5.621) 6.456 1.131 ( -1.714 -0.927 -0.089) 1.951 1.141 ( 2.418 0.870 3.484) 4.329 1.199 ( -1.028 1.183 1.699) 2.312 1.221 ( -1.216 -2.988 1.539) 3.574 1.317 ( 1.539 -6.886 3.274) 7.779 1.352 ( 0.959 1.474 -5.715) 5.979 1.374 ( -0.257 0.089 -5.923) 5.929 1.495 ( -1.625 4.090 -2.994) 5.323 1.528 ( 0.897 0.982 0.203) 1.346 1.598 ( -1.055 -1.178 0.198) 1.594 1.632 ( -1.979 -0.011 -2.580) 3.252 1.670 ( -0.996 1.075 1.276) 1.943 1.699 ( -0.698 -0.201 0.427) 0.842 1.951 ( 0.595 3.783 5.005) 6.302 2.021 ( 0.599 -2.700 4.259) 5.078 2.088 ( 3.227 1.894 0.525) 3.778 2.116 ( 3.623 -0.668 0.177) 3.689 3.328 ( -0.409 0.205 1.460) 1.530 3.344 ( -0.116 -1.073 0.964) 1.447 3.378 ( -0.102 0.767 -0.534) 0.940 3.394 ( 0.402 -0.636 -0.727) 1.046 3.563 ( -0.313 0.197 0.248) 0.445 3.567 ( -0.559 -0.204 -0.337) 0.684 3.662 ( 1.081 0.739 -0.282) 1.339 3.682 ( 1.311 -0.769 -0.463) 1.589 3.949 ( 0.554 0.131 1.695) 1.788 3.965 ( 0.339 -1.368 1.118) 1.799 4.030 ( 0.178 0.555 -1.568) 1.673 4.040 ( -0.067 -0.561 -2.084) 2.160 4.208 ( 0.375 0.908 -1.265) 1.602 4.228 ( -0.678 -0.839 -1.855) 2.146 4.394 ( 1.154 0.118 0.423) 1.235 4.398 ( -0.169 -0.299 0.630) 0.718 4.828 ( 0.288 1.469 0.274) 1.522 4.859 ( 0.319 -1.339 0.251) 1.400 4.868 ( -0.044 1.752 -1.532) 2.328 4.906 ( -0.024 -1.420 -1.609) 2.146 5.294 ( -0.342 0.921 0.361) 1.046 5.324 ( -0.112 -1.750 -0.472) 1.816 5.360 ( 0.357 1.607 -0.206) 1.659 5.399 ( 0.671 -1.917 -1.593) 2.581 5.581 ( 0.259 1.158 2.451) 2.723 5.604 ( -0.483 -0.820 2.054) 2.264 5.693 ( 0.193 1.465 -0.452) 1.545 5.716 ( 0.256 -0.557 -1.204) 1.351 6.284 ( 0.277 0.925 1.479) 1.766 6.299 ( -0.847 -0.619 1.507) 1.836 6.351 ( -0.381 0.039 -0.836) 0.919 6.360 ( 0.415 -0.769 -1.352) 1.610 6.660 ( 0.216 0.001 0.058) 0.224 6.666 ( 0.353 -0.410 0.398) 0.672 6.674 ( -0.375 0.701 -0.122) 0.804 6.689 ( -0.235 -0.654 -0.639) 0.944 6.726 ( 0.807 0.664 0.687) 1.251 6.738 ( 0.745 -0.285 0.493) 0.938 6.765 ( -0.684 1.103 0.152) 1.307 6.781 ( -0.506 -0.280 -0.187) 0.608 8.615 ( 1.398 1.124 0.100) 1.797 8.643 ( 1.328 -1.409 -0.725) 2.067 8.689 ( -0.642 0.259 -0.415) 0.807 8.698 ( -1.146 -0.431 0.081) 1.227 8.823 ( -1.364 -0.049 0.036) 1.365 8.825 ( -1.418 -0.239 0.200) 1.452 8.916 ( 0.466 0.402 -0.499) 0.792 8.923 ( 0.992 -0.315 -0.957) 1.414 9.120 ( -0.030 0.594 0.666) 0.893 9.138 ( -0.633 -1.083 0.252) 1.279 9.199 ( 0.263 0.565 -1.619) 1.734 9.219 ( 0.950 -1.232 -2.393) 2.855 9.389 ( -0.306 0.060 0.754) 0.816 9.392 ( -0.094 -0.182 0.493) 0.534 9.439 ( 0.285 0.418 -1.644) 1.721 9.443 ( 0.327 0.146 -1.715) 1.752 9.815 ( -0.453 0.499 2.014) 2.124 9.831 ( -0.614 -0.944 2.003) 2.298 9.927 ( -0.043 0.301 -1.366) 1.400 9.934 ( 0.046 -0.321 -1.334) 1.373 10.220 ( 0.681 1.121 0.969) 1.631 10.255 ( 1.426 -1.661 1.445) 2.623 10.298 ( -1.435 0.715 -0.993) 1.886 10.335 ( -0.829 -2.221 -0.505) 2.424 10.618 ( 0.230 2.631 0.900) 2.790 10.670 ( 0.023 -2.192 0.675) 2.293 10.687 ( 0.193 2.451 -1.227) 2.748 10.733 ( -0.117 -1.669 -1.306) 2.122 11.158 ( 0.651 -0.080 0.509) 0.830 11.161 ( 0.354 -0.311 0.430) 0.638 11.173 ( -0.161 0.152 0.330) 0.397 11.178 ( -0.423 -0.240 0.462) 0.671 ======================= Grid point 63 (38/48) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -0.744 0.611 5.819) 5.898 0.583 ( -3.003 -8.539 2.323) 9.345 0.709 ( 0.330 3.724 1.393) 3.989 0.799 ( 0.929 -3.165 0.113) 3.301 0.948 ( -0.825 2.085 -1.968) 2.983 1.021 ( 1.958 -4.062 -4.625) 6.459 1.089 ( 2.395 0.548 0.870) 2.606 1.105 ( 0.487 0.300 -1.180) 1.311 1.182 ( -0.221 -0.174 1.206) 1.238 1.206 ( 2.012 4.488 6.777) 8.373 1.218 ( 0.805 -1.595 -2.231) 2.858 1.327 ( -0.413 -1.950 -0.609) 2.084 1.364 ( 1.062 0.280 -3.611) 3.774 1.372 ( 0.649 -2.468 -0.357) 2.577 1.458 ( -0.728 4.441 -2.922) 5.365 1.545 ( -0.718 -1.708 0.127) 1.857 1.576 ( -1.647 2.912 -1.861) 3.828 1.594 ( 1.065 2.499 0.119) 2.719 1.644 ( -0.869 -1.196 0.144) 1.485 1.692 ( -0.828 -1.695 1.955) 2.716 1.957 ( -1.812 2.512 4.845) 5.750 2.015 ( -2.260 -2.703 3.022) 4.642 2.134 ( 0.917 2.333 -0.391) 2.537 2.171 ( 1.669 -0.997 -0.812) 2.107 3.324 ( -0.300 0.396 1.367) 1.455 3.341 ( -0.291 -0.890 0.811) 1.239 3.378 ( 0.095 0.856 -0.408) 0.953 3.399 ( 0.329 -1.024 -0.950) 1.436 3.558 ( -0.167 0.427 0.246) 0.521 3.563 ( 0.051 -0.043 0.504) 0.509 3.673 ( -0.007 0.589 -0.639) 0.870 3.694 ( -0.010 -1.015 -1.120) 1.512 3.959 ( -0.185 -0.148 1.548) 1.566 3.968 ( -0.352 -1.036 0.995) 1.480 4.040 ( 1.116 0.285 -1.800) 2.137 4.046 ( 1.145 -0.355 -2.267) 2.565 4.222 ( 0.654 0.179 -1.919) 2.036 4.226 ( 1.765 -0.183 -1.802) 2.529 4.373 ( -2.207 1.135 1.153) 2.737 4.401 ( -0.706 -1.257 0.467) 1.516 4.825 ( -0.532 1.635 0.206) 1.732 4.858 ( -0.034 -1.212 0.142) 1.221 4.874 ( 0.363 1.347 -1.424) 1.994 4.906 ( 0.594 -1.276 -1.620) 2.146 5.285 ( -0.622 0.874 0.648) 1.253 5.315 ( -0.507 -1.815 -0.391) 1.925 5.369 ( 0.489 1.566 -0.286) 1.665 5.406 ( 0.334 -1.659 -1.745) 2.430 5.596 ( 0.413 0.468 2.100) 2.190 5.601 ( -0.376 -0.026 2.300) 2.330 5.690 ( -0.298 1.424 -0.625) 1.583 5.714 ( -0.160 -0.636 -1.069) 1.254 6.284 ( -0.823 0.118 1.649) 1.847 6.294 ( 0.097 -0.515 1.262) 1.367 6.347 ( 0.237 0.883 -0.909) 1.289 6.368 ( 0.569 -0.868 -1.132) 1.536 6.657 ( -0.480 0.504 0.048) 0.698 6.669 ( -0.057 -0.426 -0.251) 0.497 6.675 ( 0.265 -0.014 0.346) 0.436 6.684 ( 0.090 -0.512 -0.200) 0.557 6.747 ( -0.810 0.784 0.018) 1.128 6.747 ( 0.619 0.876 0.423) 1.153 6.755 ( 0.408 0.017 0.457) 0.613 6.767 ( -0.410 -0.447 -0.067) 0.610 8.640 ( 0.057 0.603 -0.635) 0.878 8.654 ( -0.441 -0.624 -1.413) 1.606 8.670 ( -0.550 0.666 0.380) 0.944 8.688 ( 0.980 -0.987 0.463) 1.466 8.796 ( -1.000 0.442 0.753) 1.328 8.808 ( -0.471 -0.674 0.569) 1.000 8.920 ( 0.039 0.654 -0.520) 0.837 8.935 ( 0.417 -0.679 -1.126) 1.380 9.113 ( -0.689 -0.147 0.617) 0.936 9.119 ( -1.159 -0.658 0.768) 1.538 9.207 ( 0.819 1.019 -1.937) 2.337 9.230 ( 0.612 -1.109 -2.109) 2.461 9.385 ( -0.215 0.216 0.686) 0.750 9.392 ( -0.074 -0.368 0.523) 0.644 9.444 ( 0.583 0.205 -1.767) 1.872 9.445 ( 0.295 0.150 -1.695) 1.727 9.825 ( 0.800 0.337 2.024) 2.202 9.836 ( 0.479 -0.612 1.803) 1.963 9.919 ( -0.302 0.252 -1.206) 1.269 9.926 ( -0.301 -0.383 -1.341) 1.427 10.242 ( 0.936 0.335 1.536) 1.829 10.255 ( -1.615 -0.660 0.015) 1.745 10.297 ( 1.551 -0.354 0.395) 1.639 10.315 ( -0.674 -1.596 -1.062) 2.032 10.630 ( 0.623 2.467 0.771) 2.659 10.666 ( -0.342 0.527 -0.864) 1.068 10.697 ( 0.908 -0.468 0.205) 1.042 10.722 ( -0.475 -1.359 -1.506) 2.084 11.165 ( -0.240 0.141 0.316) 0.421 11.170 ( -0.361 -0.209 0.163) 0.448 11.175 ( 0.561 -0.238 0.603) 0.858 11.176 ( 0.453 -0.278 0.234) 0.581 ======================= Grid point 64 (39/48) ======================= q-point: (-0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 8.303 2.339 8.137) 11.858 0.650 ( 5.634 -3.078 8.468) 10.627 0.765 ( 4.897 3.588 4.146) 7.351 0.854 ( 3.685 -0.651 3.682) 5.250 0.944 ( -0.057 0.829 1.118) 1.393 1.046 ( -0.269 -6.242 -2.836) 6.862 1.115 ( 2.268 1.799 -2.371) 3.742 1.135 ( 0.185 -0.237 -0.436) 0.530 1.166 ( -0.248 1.586 -1.931) 2.511 1.204 ( -0.512 -0.175 -1.655) 1.741 1.304 ( -0.145 2.073 -0.645) 2.176 1.333 ( 4.950 1.691 1.248) 5.378 1.352 ( -0.492 -0.484 -2.230) 2.334 1.404 ( 1.215 -2.686 1.577) 3.344 1.452 ( -0.499 0.437 3.738) 3.797 1.515 ( 0.657 -3.677 -2.105) 4.288 1.566 ( 0.268 5.125 0.434) 5.150 1.629 ( 0.997 0.588 2.261) 2.540 1.655 ( 1.825 -0.592 -0.504) 1.984 1.686 ( 0.908 -1.866 0.395) 2.113 1.901 ( -4.488 1.761 3.025) 5.692 1.955 ( -3.661 -2.973 1.116) 4.846 2.120 ( -1.921 3.184 -2.181) 4.311 2.171 ( -1.369 -1.516 -1.802) 2.724 3.324 ( -0.066 0.202 1.529) 1.544 3.338 ( -0.252 -0.892 0.990) 1.356 3.378 ( 0.126 0.955 -0.559) 1.114 3.401 ( 0.173 -1.068 -1.261) 1.662 3.560 ( 0.271 0.672 0.580) 0.928 3.570 ( 0.480 -0.186 0.844) 0.989 3.660 ( -0.879 0.464 -1.205) 1.562 3.677 ( -1.194 -0.813 -1.826) 2.328 3.951 ( -0.828 -0.056 1.671) 1.866 3.958 ( -0.837 -0.639 1.620) 1.932 4.056 ( 0.946 0.366 -2.722) 2.904 4.064 ( 0.949 -0.312 -2.663) 2.844 4.244 ( 1.941 1.029 -1.630) 2.736 4.268 ( 2.649 -0.985 -1.610) 3.252 4.321 ( -2.791 1.701 0.566) 3.317 4.370 ( -2.272 -2.422 -0.154) 3.324 4.815 ( -0.485 1.906 0.312) 1.991 4.853 ( -0.414 -1.401 -0.089) 1.464 4.879 ( 0.613 1.491 -1.405) 2.138 4.915 ( 0.507 -1.410 -1.605) 2.196 5.278 ( -0.112 0.849 0.694) 1.102 5.307 ( -0.056 -1.783 -0.366) 1.821 5.374 ( 0.042 1.173 -0.335) 1.221 5.400 ( -0.426 -1.163 -1.398) 1.868 5.595 ( -0.745 1.013 2.230) 2.560 5.610 ( 0.181 -0.256 1.886) 1.912 5.681 ( -0.237 1.472 -0.824) 1.704 5.706 ( -0.154 -0.849 -1.055) 1.363 6.275 ( -0.560 0.698 1.742) 1.959 6.300 ( 0.231 -1.496 1.042) 1.838 6.353 ( 0.405 1.170 -0.538) 1.350 6.375 ( 0.324 -0.712 -0.714) 1.059 6.650 ( -0.183 0.458 0.228) 0.543 6.663 ( -0.326 -0.685 -0.145) 0.772 6.681 ( 0.141 0.246 0.111) 0.305 6.689 ( 0.193 -0.477 -0.494) 0.713 6.728 ( -0.662 0.675 0.040) 0.946 6.739 ( -0.877 -0.300 -0.292) 0.972 6.766 ( 0.530 0.783 0.436) 1.041 6.776 ( 0.542 -0.023 0.383) 0.664 8.613 ( -1.366 0.854 -1.026) 1.911 8.631 ( -0.797 -0.801 -1.820) 2.142 8.690 ( 0.986 0.616 0.491) 1.262 8.704 ( 0.147 -0.721 0.409) 0.842 8.802 ( 1.343 -0.080 1.734) 2.195 8.811 ( 0.497 -0.744 1.672) 1.896 8.914 ( -0.467 0.762 -0.691) 1.129 8.934 ( -0.219 -0.962 -1.160) 1.523 9.102 ( -0.546 -0.246 0.857) 1.045 9.103 ( -0.311 -0.349 0.359) 0.590 9.216 ( 0.412 0.774 -1.449) 1.694 9.230 ( -0.155 -0.527 -1.405) 1.508 9.384 ( -0.118 0.287 0.631) 0.703 9.393 ( -0.005 -0.437 0.488) 0.655 9.447 ( 0.325 0.311 -1.696) 1.755 9.451 ( 0.491 -0.063 -1.824) 1.890 9.849 ( 0.781 0.046 1.123) 1.369 9.853 ( 0.643 -0.381 0.978) 1.231 9.910 ( -0.233 0.382 -0.357) 0.572 9.920 ( 0.089 -0.469 -0.823) 0.951 10.225 ( -1.219 0.447 0.241) 1.320 10.251 ( -0.673 -1.841 1.213) 2.305 10.313 ( 0.909 0.517 -0.930) 1.400 10.328 ( 1.141 -1.048 0.309) 1.579 10.639 ( -0.085 2.421 0.440) 2.462 10.663 ( 0.393 1.062 -0.721) 1.343 10.706 ( -0.668 -1.021 -1.028) 1.596 10.716 ( 0.762 -1.692 -0.513) 1.925 11.157 ( -0.431 0.221 0.042) 0.486 11.163 ( -0.261 -0.276 -0.257) 0.459 11.181 ( 0.027 -0.132 0.567) 0.583 11.187 ( 0.282 -0.653 0.224) 0.745 ======================= Grid point 75 (40/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 2.171 0.000 -5.384) 5.805 0.814 ( -2.171 0.000 5.384) 5.805 0.933 ( -2.393 0.000 -9.238) 9.543 0.933 ( 2.393 0.000 9.238) 9.543 0.982 ( -7.879 0.000 -0.978) 7.940 0.982 ( 7.879 0.000 0.978) 7.940 1.077 ( -0.161 0.000 -0.741) 0.759 1.077 ( 0.161 0.000 0.741) 0.759 1.272 ( -5.833 0.000 -1.875) 6.126 1.272 ( 5.833 0.000 1.875) 6.126 1.356 ( -1.933 0.000 -5.326) 5.665 1.356 ( 1.933 0.000 5.326) 5.665 1.395 ( 3.531 0.000 -4.371) 5.619 1.395 ( -3.531 0.000 4.371) 5.619 1.539 ( 1.722 0.000 -3.644) 4.031 1.539 ( -1.722 0.000 3.644) 4.031 1.626 ( -1.397 0.000 -2.127) 2.545 1.626 ( 1.397 0.000 2.127) 2.545 1.715 ( -2.558 0.000 -2.718) 3.733 1.715 ( 2.558 0.000 2.718) 3.733 1.782 ( -4.068 0.000 -0.575) 4.108 1.782 ( 4.068 0.000 0.575) 4.108 2.058 ( -3.969 0.000 -2.639) 4.766 2.058 ( 3.969 0.000 2.639) 4.766 3.344 ( -0.245 0.000 -0.305) 0.391 3.344 ( 0.245 0.000 0.305) 0.391 3.392 ( -0.222 0.000 -1.438) 1.455 3.392 ( 0.222 0.000 1.438) 1.455 3.600 ( -0.910 0.000 -1.238) 1.537 3.600 ( 0.910 0.000 1.238) 1.537 3.615 ( -1.028 0.000 -0.318) 1.076 3.615 ( 1.028 0.000 0.318) 1.076 3.994 ( 0.289 0.000 -2.498) 2.515 3.994 ( -0.289 0.000 2.498) 2.515 4.017 ( -0.072 0.000 -2.255) 2.256 4.017 ( 0.072 0.000 2.255) 2.256 4.237 ( 3.081 0.000 -1.418) 3.391 4.237 ( -3.081 0.000 1.418) 3.391 4.366 ( -3.629 0.000 0.421) 3.654 4.366 ( 3.629 0.000 -0.421) 3.654 4.781 ( 0.084 0.000 -1.645) 1.647 4.781 ( -0.084 0.000 1.645) 1.647 4.928 ( -0.707 0.000 -0.214) 0.738 4.928 ( 0.707 0.000 0.214) 0.738 5.316 ( 0.381 0.000 -2.653) 2.680 5.316 ( -0.381 0.000 2.653) 2.680 5.383 ( 0.706 0.000 -1.897) 2.024 5.383 ( -0.706 0.000 1.897) 2.024 5.582 ( 0.463 0.000 -0.336) 0.572 5.582 ( -0.463 0.000 0.336) 0.572 5.679 ( 0.023 0.000 -2.569) 2.569 5.679 ( -0.023 0.000 2.569) 2.569 6.312 ( 1.382 0.000 -2.931) 3.240 6.312 ( -1.382 0.000 2.931) 3.240 6.362 ( -0.880 0.000 -0.298) 0.929 6.362 ( 0.880 0.000 0.298) 0.929 6.669 ( -0.547 0.000 -1.196) 1.315 6.669 ( 0.547 0.000 1.196) 1.315 6.684 ( 0.165 0.000 -0.584) 0.607 6.684 ( -0.165 0.000 0.584) 0.607 6.709 ( -0.044 0.000 -1.420) 1.421 6.709 ( 0.044 0.000 1.420) 1.421 6.748 ( -0.641 0.000 0.022) 0.642 6.748 ( 0.641 0.000 -0.022) 0.642 8.591 ( 0.433 0.000 -2.157) 2.200 8.591 ( -0.433 0.000 2.157) 2.200 8.716 ( -0.743 0.000 -0.201) 0.770 8.716 ( 0.743 0.000 0.201) 0.770 8.881 ( 0.683 0.000 -0.881) 1.115 8.881 ( -0.683 0.000 0.881) 1.115 8.924 ( 0.253 0.000 -1.858) 1.875 8.924 ( -0.253 0.000 1.858) 1.875 9.117 ( 1.187 0.000 -0.707) 1.382 9.117 ( -1.187 0.000 0.707) 1.382 9.209 ( -0.621 0.000 -0.738) 0.965 9.209 ( 0.621 0.000 0.738) 0.965 9.376 ( 0.343 0.000 -0.703) 0.782 9.376 ( -0.343 0.000 0.703) 0.782 9.430 ( -0.231 0.000 -0.215) 0.316 9.430 ( 0.231 0.000 0.215) 0.316 9.889 ( 1.074 0.000 -1.945) 2.222 9.889 ( -1.074 0.000 1.945) 2.222 9.911 ( 0.139 0.000 -0.234) 0.272 9.911 ( -0.139 0.000 0.234) 0.272 10.223 ( -0.832 0.000 -0.563) 1.005 10.223 ( 0.832 0.000 0.563) 1.005 10.385 ( -2.147 0.000 -0.358) 2.176 10.385 ( 2.147 0.000 0.358) 2.176 10.570 ( 0.351 0.000 -1.736) 1.771 10.570 ( -0.351 0.000 1.736) 1.771 10.755 ( -0.541 0.000 -1.628) 1.715 10.755 ( 0.541 0.000 1.628) 1.715 11.158 ( 0.018 0.000 -0.557) 0.557 11.158 ( -0.018 0.000 0.557) 0.557 11.205 ( -0.039 0.000 -0.821) 0.822 11.205 ( 0.039 0.000 0.821) 0.822 ======================= Grid point 77 (41/48) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -2.262 0.000 0.502) 2.317 0.843 ( -2.582 0.000 -2.876) 3.865 0.850 ( 2.039 0.000 -3.222) 3.812 0.881 ( -2.026 0.000 -5.099) 5.487 0.975 ( -2.303 0.000 4.515) 5.069 1.053 ( 0.061 0.000 2.979) 2.980 1.091 ( 1.698 0.000 -2.367) 2.913 1.119 ( -3.854 0.000 6.784) 7.802 1.182 ( 6.680 0.000 -7.605) 10.122 1.261 ( -2.639 0.000 -6.626) 7.132 1.297 ( -8.019 0.000 1.871) 8.234 1.331 ( -0.734 0.000 -2.462) 2.569 1.366 ( 0.173 0.000 -5.738) 5.741 1.460 ( -6.694 0.000 4.289) 7.951 1.482 ( 4.863 0.000 0.406) 4.879 1.484 ( -7.983 0.000 -3.714) 8.805 1.549 ( -0.087 0.000 -1.244) 1.247 1.607 ( -2.437 0.000 1.692) 2.967 1.651 ( -1.553 0.000 -2.211) 2.702 1.725 ( -3.009 0.000 -1.111) 3.207 1.830 ( 4.533 0.000 6.393) 7.837 1.896 ( 4.672 0.000 0.800) 4.740 2.039 ( 2.917 0.000 1.706) 3.379 2.146 ( 2.924 0.000 2.629) 3.932 3.337 ( -0.219 0.000 -1.050) 1.073 3.344 ( -0.305 0.000 -0.373) 0.482 3.387 ( 0.227 0.000 -1.234) 1.255 3.398 ( -0.173 0.000 2.057) 2.064 3.577 ( -0.559 0.000 -1.383) 1.492 3.583 ( -1.000 0.000 -0.111) 1.006 3.645 ( 1.850 0.000 1.626) 2.463 3.651 ( 1.699 0.000 0.710) 1.842 3.998 ( 0.566 0.000 -1.030) 1.175 3.998 ( -0.035 0.000 2.694) 2.694 4.019 ( 0.810 0.000 -1.858) 2.027 4.030 ( 0.502 0.000 1.628) 1.704 4.191 ( -1.585 0.000 1.052) 1.902 4.277 ( -2.517 0.000 -0.706) 2.614 4.313 ( 2.218 0.000 -0.468) 2.266 4.419 ( 1.380 0.000 -0.161) 1.389 4.786 ( 0.679 0.000 -1.537) 1.681 4.793 ( 0.686 0.000 1.710) 1.843 4.909 ( -0.882 0.000 -0.285) 0.927 4.933 ( -0.261 0.000 0.146) 0.299 5.317 ( -0.184 0.000 2.326) 2.334 5.319 ( 0.649 0.000 -2.756) 2.832 5.379 ( -0.262 0.000 2.282) 2.297 5.392 ( 0.517 0.000 -2.367) 2.422 5.581 ( 0.176 0.000 0.994) 1.010 5.595 ( 0.697 0.000 -0.189) 0.722 5.677 ( 0.486 0.000 -2.410) 2.459 5.688 ( 0.180 0.000 2.045) 2.053 6.295 ( -0.892 0.000 2.614) 2.762 6.333 ( 1.369 0.000 -2.584) 2.924 6.338 ( -1.215 0.000 -0.722) 1.414 6.373 ( 0.127 0.000 0.483) 0.500 6.659 ( -0.041 0.000 -1.233) 1.233 6.682 ( 0.339 0.000 0.635) 0.720 6.686 ( -0.180 0.000 1.599) 1.609 6.691 ( 0.592 0.000 -0.169) 0.615 6.704 ( -0.070 0.000 -1.425) 1.427 6.714 ( 0.309 0.000 0.948) 0.998 6.734 ( -0.609 0.000 0.159) 0.630 6.756 ( 0.141 0.000 -0.385) 0.410 8.600 ( 0.610 0.000 2.330) 2.409 8.608 ( 1.796 0.000 -1.552) 2.374 8.695 ( -1.140 0.000 -1.059) 1.556 8.731 ( 0.684 0.000 -0.022) 0.684 8.841 ( -2.837 0.000 -0.349) 2.858 8.871 ( -0.979 0.000 -1.413) 1.719 8.926 ( 0.188 0.000 -0.652) 0.678 8.931 ( 0.257 0.000 1.707) 1.726 9.108 ( 0.090 0.000 0.829) 0.834 9.142 ( 1.076 0.000 -1.390) 1.758 9.198 ( 0.081 0.000 -1.416) 1.418 9.221 ( 0.297 0.000 1.020) 1.062 9.376 ( 0.242 0.000 0.391) 0.460 9.384 ( 0.538 0.000 -0.711) 0.891 9.421 ( -0.612 0.000 0.461) 0.766 9.428 ( -0.498 0.000 0.554) 0.745 9.866 ( -1.256 0.000 2.085) 2.434 9.887 ( -0.459 0.000 -1.997) 2.049 9.912 ( -0.109 0.000 0.498) 0.510 9.913 ( 0.108 0.000 -0.986) 0.992 10.215 ( -0.140 0.000 1.086) 1.095 10.249 ( 0.849 0.000 2.168) 2.328 10.348 ( -0.572 0.000 -1.679) 1.774 10.420 ( 0.894 0.000 -0.007) 0.894 10.564 ( -0.668 0.000 1.860) 1.976 10.567 ( -0.113 0.000 -1.945) 1.948 10.741 ( -0.240 0.000 -0.942) 0.972 10.763 ( -0.159 0.000 0.953) 0.966 11.162 ( 0.400 0.000 -0.335) 0.522 11.164 ( 0.372 0.000 0.538) 0.654 11.199 ( -0.445 0.000 -0.205) 0.489 11.203 ( -0.502 0.000 1.133) 1.239 ======================= Grid point 78 (42/48) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 3.093 0.000 -9.157) 9.666 0.803 ( 0.115 0.000 -3.515) 3.517 0.831 ( -4.168 0.000 3.659) 5.547 0.867 ( -5.644 0.000 1.821) 5.930 0.895 ( 4.407 0.000 3.833) 5.841 1.068 ( -9.646 0.000 -1.547) 9.769 1.112 ( 3.491 0.000 3.686) 5.077 1.127 ( 0.902 0.000 2.846) 2.986 1.134 ( 1.953 0.000 -1.503) 2.464 1.208 ( -2.005 0.000 -6.289) 6.601 1.273 ( 3.327 0.000 -7.257) 7.983 1.297 ( -0.619 0.000 -4.598) 4.639 1.332 ( -5.943 0.000 7.887) 9.876 1.340 ( -5.032 0.000 2.752) 5.736 1.415 ( 4.687 0.000 -6.701) 8.177 1.514 ( -5.812 0.000 2.792) 6.448 1.558 ( 1.874 0.000 0.494) 1.938 1.569 ( 2.329 0.000 0.710) 2.435 1.631 ( -0.615 0.000 -2.195) 2.280 1.648 ( -3.487 0.000 0.331) 3.502 1.925 ( 2.519 0.000 5.877) 6.394 1.953 ( 1.065 0.000 -2.793) 2.989 2.126 ( 3.792 0.000 1.436) 4.055 2.175 ( -0.650 0.000 0.737) 0.982 3.332 ( 0.059 0.000 -0.927) 0.929 3.335 ( -0.387 0.000 0.194) 0.433 3.392 ( 0.563 0.000 -1.981) 2.059 3.397 ( -0.486 0.000 2.347) 2.396 3.568 ( -0.001 0.000 -1.108) 1.108 3.570 ( -0.385 0.000 0.654) 0.759 3.678 ( 0.792 0.000 0.997) 1.273 3.679 ( 0.798 0.000 -0.029) 0.799 4.006 ( 0.200 0.000 1.073) 1.091 4.007 ( 0.323 0.000 -0.186) 0.373 4.033 ( 0.701 0.000 -0.728) 1.011 4.039 ( -0.035 0.000 0.718) 0.719 4.181 ( 0.403 0.000 0.716) 0.821 4.213 ( -2.555 0.000 -0.272) 2.570 4.375 ( 3.015 0.000 -0.933) 3.156 4.419 ( -1.306 0.000 0.333) 1.348 4.798 ( 0.860 0.000 -1.387) 1.632 4.806 ( -0.116 0.000 1.474) 1.479 4.902 ( 0.447 0.000 -0.110) 0.461 4.920 ( -0.992 0.000 0.037) 0.993 5.323 ( 0.024 0.000 2.254) 2.254 5.325 ( 0.505 0.000 -2.543) 2.593 5.382 ( -0.157 0.000 2.914) 2.918 5.389 ( 0.031 0.000 -2.896) 2.897 5.592 ( 0.447 0.000 1.378) 1.449 5.601 ( -0.019 0.000 -0.927) 0.927 5.685 ( 0.766 0.000 -1.652) 1.821 5.692 ( -0.277 0.000 1.467) 1.493 6.293 ( 0.085 0.000 1.960) 1.962 6.310 ( -1.048 0.000 -1.180) 1.579 6.355 ( 1.225 0.000 -2.031) 2.372 6.370 ( -0.644 0.000 1.128) 1.299 6.662 ( 0.635 0.000 -1.221) 1.376 6.676 ( -0.960 0.000 1.392) 1.691 6.691 ( 0.283 0.000 0.725) 0.778 6.698 ( -0.161 0.000 -1.092) 1.104 6.705 ( 0.785 0.000 -0.114) 0.793 6.719 ( -0.478 0.000 0.092) 0.487 6.734 ( 0.679 0.000 1.196) 1.375 6.750 ( -0.480 0.000 -0.887) 1.009 8.626 ( 1.241 0.000 2.210) 2.535 8.650 ( 1.351 0.000 -1.417) 1.958 8.669 ( 0.196 0.000 -1.072) 1.090 8.720 ( -2.440 0.000 0.357) 2.466 8.806 ( 0.590 0.000 -0.918) 1.091 8.838 ( -1.914 0.000 -0.360) 1.947 8.931 ( 0.448 0.000 -0.570) 0.725 8.936 ( -0.190 0.000 1.127) 1.143 9.121 ( 0.795 0.000 1.304) 1.527 9.141 ( -0.599 0.000 -1.397) 1.520 9.209 ( 1.215 0.000 -2.271) 2.576 9.223 ( -0.589 0.000 1.838) 1.930 9.387 ( 0.614 0.000 -0.128) 0.627 9.391 ( 0.288 0.000 -0.598) 0.664 9.411 ( -0.407 0.000 0.871) 0.961 9.415 ( -0.712 0.000 0.236) 0.750 9.858 ( -0.165 0.000 2.439) 2.445 9.869 ( -0.513 0.000 -2.462) 2.515 9.909 ( -0.334 0.000 1.700) 1.732 9.910 ( 0.056 0.000 -1.765) 1.766 10.224 ( 0.699 0.000 1.330) 1.502 10.246 ( -1.115 0.000 -0.019) 1.115 10.370 ( 2.495 0.000 -0.630) 2.574 10.414 ( -1.443 0.000 0.103) 1.446 10.557 ( -0.450 0.000 2.101) 2.149 10.559 ( -0.029 0.000 -2.161) 2.161 10.742 ( 0.384 0.000 0.066) 0.390 10.754 ( -0.689 0.000 -0.121) 0.700 11.172 ( 0.618 0.000 -0.152) 0.636 11.175 ( 0.564 0.000 0.098) 0.572 11.188 ( -0.531 0.000 0.068) 0.535 11.192 ( -0.754 0.000 0.639) 0.988 ======================= Grid point 81 (43/48) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -2.647 -0.211 -6.706) 7.213 0.803 ( 2.647 -0.211 6.706) 7.213 0.942 ( -0.687 -0.674 -4.007) 4.121 0.942 ( 0.687 -0.674 4.007) 4.121 1.028 ( -3.681 1.596 -1.866) 4.425 1.028 ( 3.681 1.596 1.866) 4.425 1.074 ( 3.766 3.908 -6.831) 8.724 1.074 ( -3.766 3.908 6.831) 8.724 1.230 ( -1.865 -4.515 -2.101) 5.317 1.230 ( 1.865 -4.515 2.101) 5.317 1.294 ( -0.707 -2.397 -3.223) 4.079 1.294 ( 0.707 -2.397 3.223) 4.079 1.415 ( -2.199 -1.344 -2.525) 3.608 1.415 ( 2.199 -1.344 2.525) 3.608 1.548 ( -1.675 1.313 -1.307) 2.498 1.548 ( 1.675 1.313 1.307) 2.498 1.617 ( -3.952 -1.573 -1.096) 4.393 1.617 ( 3.952 -1.573 1.096) 4.393 1.691 ( -1.994 0.418 -1.632) 2.611 1.691 ( 1.994 0.418 1.632) 2.611 1.856 ( -0.051 4.429 -4.853) 6.570 1.856 ( 0.051 4.429 4.853) 6.570 2.053 ( -4.029 -0.563 -3.554) 5.402 2.053 ( 4.029 -0.563 3.554) 5.402 3.350 ( -0.322 0.441 -0.722) 0.906 3.350 ( 0.322 0.441 0.722) 0.906 3.383 ( -0.112 -0.685 -1.512) 1.664 3.383 ( 0.112 -0.685 1.512) 1.664 3.600 ( -1.368 -0.089 -1.753) 2.225 3.600 ( 1.368 -0.089 1.753) 2.225 3.614 ( -1.432 -0.106 -0.582) 1.549 3.614 ( 1.432 -0.106 0.582) 1.549 3.991 ( 0.423 -0.250 -2.548) 2.595 3.991 ( -0.423 -0.250 2.548) 2.595 4.014 ( -0.047 -0.216 -2.198) 2.209 4.014 ( 0.047 -0.216 2.198) 2.209 4.244 ( 2.249 0.739 -1.171) 2.641 4.244 ( -2.249 0.739 1.171) 2.641 4.350 ( -3.226 -1.472 0.235) 3.554 4.350 ( 3.226 -1.472 -0.235) 3.554 4.795 ( 0.059 1.208 -1.544) 1.962 4.795 ( -0.059 1.208 1.544) 1.962 4.916 ( -0.373 -1.058 -0.691) 1.317 4.916 ( 0.373 -1.058 0.691) 1.317 5.310 ( 0.240 -0.547 -2.074) 2.158 5.310 ( -0.240 -0.547 2.074) 2.158 5.379 ( 0.455 -0.375 -1.437) 1.554 5.379 ( -0.455 -0.375 1.437) 1.554 5.596 ( 0.451 1.214 -1.365) 1.882 5.596 ( -0.451 1.214 1.365) 1.882 5.681 ( -0.094 0.080 -2.016) 2.020 5.681 ( 0.094 0.080 2.016) 2.020 6.309 ( 1.041 -0.239 -2.599) 2.810 6.309 ( -1.041 -0.239 2.599) 2.810 6.361 ( -0.248 -0.020 -0.871) 0.906 6.361 ( 0.248 -0.020 0.871) 0.906 6.662 ( -0.408 -0.361 -0.601) 0.811 6.662 ( 0.408 -0.361 0.601) 0.811 6.682 ( 0.152 -0.221 -0.206) 0.338 6.682 ( -0.152 -0.221 0.206) 0.338 6.717 ( -0.027 0.508 -0.745) 0.902 6.717 ( 0.027 0.508 0.745) 0.902 6.761 ( -0.119 1.065 -0.609) 1.233 6.761 ( 0.119 1.065 0.609) 1.233 8.592 ( 0.401 0.039 -1.792) 1.836 8.592 ( -0.401 0.039 1.792) 1.836 8.711 ( -0.151 -0.343 -0.507) 0.630 8.711 ( 0.151 -0.343 0.507) 0.630 8.876 ( -0.302 -0.352 -0.414) 0.622 8.876 ( 0.302 -0.352 0.414) 0.622 8.910 ( -0.194 -1.132 -1.959) 2.271 8.910 ( 0.194 -1.132 1.959) 2.271 9.114 ( 0.853 -0.209 -0.584) 1.054 9.114 ( -0.853 -0.209 0.584) 1.054 9.207 ( -0.569 -0.109 -0.482) 0.753 9.207 ( 0.569 -0.109 0.482) 0.753 9.385 ( 0.306 0.715 -0.768) 1.093 9.385 ( -0.306 0.715 0.768) 1.093 9.429 ( -0.004 -0.108 -0.265) 0.286 9.429 ( 0.004 -0.108 0.265) 0.286 9.878 ( 0.827 -0.811 -1.182) 1.654 9.878 ( -0.827 -0.811 1.182) 1.654 9.913 ( -0.064 0.140 -0.305) 0.342 9.913 ( 0.064 0.140 0.305) 0.342 10.225 ( -1.102 0.107 -0.972) 1.473 10.225 ( 1.102 0.107 0.972) 1.473 10.365 ( -1.327 -1.504 -0.461) 2.058 10.365 ( 1.327 -1.504 0.461) 2.058 10.598 ( 0.442 2.209 -1.331) 2.616 10.598 ( -0.442 2.209 1.331) 2.616 10.739 ( -0.432 -1.351 -1.322) 1.939 10.739 ( 0.432 -1.351 1.322) 1.939 11.156 ( 0.055 -0.197 -0.482) 0.523 11.156 ( -0.055 -0.197 0.482) 0.523 11.199 ( 0.099 -0.530 -0.632) 0.831 11.199 ( -0.099 -0.530 0.632) 0.831 ======================= Grid point 83 (44/48) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -2.800 -3.778 -6.155) 7.746 0.842 ( -3.377 0.625 1.150) 3.621 0.887 ( 1.573 5.198 0.208) 5.435 0.907 ( -2.988 -2.295 -5.786) 6.904 0.936 ( -4.843 -3.045 2.429) 6.215 1.051 ( -0.409 -0.817 -0.215) 0.939 1.097 ( 1.164 2.792 3.219) 4.418 1.122 ( -2.651 -0.492 -0.513) 2.745 1.194 ( 1.691 -0.214 -3.884) 4.241 1.216 ( -2.164 -3.795 -0.709) 4.426 1.273 ( -0.949 -2.361 -5.035) 5.642 1.291 ( 1.636 -0.001 -0.523) 1.718 1.373 ( -1.715 -0.168 2.576) 3.099 1.418 ( -5.012 -2.761 -0.471) 5.741 1.482 ( -5.940 0.332 -0.753) 5.997 1.514 ( -4.072 -0.367 0.480) 4.117 1.538 ( 2.492 1.940 -2.726) 4.172 1.641 ( -1.198 2.662 -0.946) 3.069 1.674 ( -0.389 0.638 0.366) 0.832 1.698 ( -0.475 -1.375 -0.937) 1.730 1.898 ( 2.871 4.234 2.955) 5.907 1.939 ( 4.365 3.260 0.330) 5.458 2.027 ( 2.909 -0.844 1.401) 3.338 2.139 ( 2.603 -0.742 3.265) 4.241 3.341 ( -0.164 0.432 -1.311) 1.390 3.352 ( -0.304 0.647 0.238) 0.754 3.377 ( 0.158 -0.796 -0.687) 1.064 3.390 ( -0.076 -0.644 1.331) 1.480 3.572 ( -0.660 -0.232 -1.224) 1.410 3.584 ( -1.042 0.046 -0.096) 1.048 3.643 ( 1.885 -0.238 1.585) 2.475 3.652 ( 1.731 -0.068 0.545) 1.816 3.989 ( 0.110 -0.557 0.918) 1.080 3.999 ( 0.211 -0.059 0.461) 0.511 4.010 ( 0.351 -0.711 -1.138) 1.387 4.025 ( 0.219 -0.456 1.143) 1.250 4.199 ( -1.556 0.670 1.000) 1.968 4.270 ( -3.153 -0.743 -0.180) 3.245 4.317 ( 3.267 0.529 -0.933) 3.439 4.405 ( 1.748 -1.222 -0.133) 2.137 4.797 ( 0.518 1.029 -1.004) 1.528 4.807 ( 0.680 1.222 1.192) 1.838 4.898 ( -0.825 -0.966 -0.300) 1.305 4.923 ( -0.185 -1.005 0.170) 1.036 5.304 ( -0.040 -0.703 -0.181) 0.727 5.319 ( 0.400 -0.425 -0.479) 0.755 5.372 ( -0.198 -0.453 1.067) 1.176 5.390 ( 0.472 -0.321 -0.757) 0.948 5.593 ( 0.002 1.088 1.362) 1.743 5.608 ( 0.590 1.054 -0.490) 1.304 5.678 ( 0.437 0.078 -2.059) 2.106 5.690 ( 0.225 0.092 1.602) 1.620 6.297 ( -0.615 0.146 2.090) 2.184 6.325 ( 1.109 -0.674 -2.341) 2.677 6.342 ( -1.086 0.374 -0.484) 1.247 6.367 ( -0.184 -0.489 0.551) 0.759 6.655 ( -0.015 -0.207 -0.727) 0.756 6.672 ( 0.387 -0.490 0.254) 0.674 6.683 ( -0.083 -0.193 0.812) 0.838 6.689 ( 0.406 -0.391 -0.152) 0.583 6.712 ( -0.122 0.631 -0.068) 0.646 6.725 ( 0.488 0.685 0.450) 0.954 6.751 ( -0.472 1.238 -0.188) 1.338 6.766 ( 0.054 0.849 -0.251) 0.887 8.599 ( 0.651 -0.056 1.591) 1.720 8.610 ( 1.635 0.027 -0.902) 1.867 8.694 ( -1.044 -0.078 -0.641) 1.228 8.724 ( 0.520 -0.576 -0.069) 0.779 8.836 ( -2.387 -0.274 -0.822) 2.540 8.865 ( -1.133 -0.574 -1.446) 1.924 8.914 ( 0.535 -0.829 -0.407) 1.067 8.924 ( 0.379 -0.668 1.642) 1.813 9.107 ( 0.205 0.025 0.347) 0.403 9.137 ( 1.117 -0.486 -1.174) 1.691 9.195 ( -0.301 -0.159 -0.815) 0.883 9.216 ( 0.069 -0.430 0.975) 1.067 9.384 ( 0.120 0.656 0.278) 0.723 9.393 ( 0.524 0.639 -0.746) 1.114 9.421 ( -0.570 0.037 0.604) 0.831 9.427 ( -0.419 -0.153 0.320) 0.549 9.860 ( -0.958 -0.429 1.556) 1.877 9.881 ( -0.306 -0.711 -1.104) 1.348 9.907 ( -0.187 -0.015 -0.078) 0.204 9.915 ( -0.024 0.041 -0.640) 0.642 10.213 ( -0.017 0.037 0.631) 0.633 10.257 ( 1.261 0.485 2.229) 2.606 10.328 ( -1.243 -1.511 -1.474) 2.450 10.386 ( 0.325 -2.377 -0.592) 2.471 10.589 ( -0.495 2.089 1.210) 2.464 10.603 ( 0.091 2.563 -0.991) 2.749 10.725 ( -0.308 -1.400 -0.172) 1.443 10.752 ( 0.074 -1.162 0.259) 1.193 11.159 ( 0.342 -0.215 0.044) 0.406 11.161 ( 0.431 -0.172 0.226) 0.516 11.193 ( -0.464 -0.461 0.426) 0.781 11.198 ( -0.274 -0.437 0.237) 0.568 ======================= Grid point 84 (45/48) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 1.250 -5.767 -3.586) 6.905 0.763 ( -5.171 -4.597 -0.371) 6.929 0.812 ( -1.018 -1.803 -4.334) 4.803 0.856 ( -3.879 -2.250 -0.245) 4.490 0.947 ( 3.196 3.068 1.158) 4.579 1.033 ( -3.062 -3.247 -0.774) 4.529 1.065 ( 0.167 -2.735 1.802) 3.280 1.100 ( -0.815 -0.355 1.186) 1.482 1.179 ( -0.319 2.144 2.434) 3.259 1.228 ( -2.291 3.253 -4.263) 5.831 1.257 ( 0.861 -2.510 -1.595) 3.097 1.272 ( -0.966 -0.303 -1.254) 1.612 1.288 ( -1.891 -1.207 -0.277) 2.260 1.342 ( -3.699 -1.710 1.134) 4.230 1.462 ( 3.136 4.379 -3.776) 6.578 1.485 ( 0.316 -0.463 3.818) 3.859 1.579 ( 0.272 -0.766 -1.026) 1.309 1.585 ( -2.720 1.121 -1.450) 3.280 1.656 ( -0.378 1.364 -0.768) 1.610 1.672 ( -1.127 1.998 0.842) 2.444 1.970 ( 2.439 3.435 4.220) 5.963 1.996 ( 1.093 3.241 -2.334) 4.141 2.113 ( 3.825 -1.001 1.046) 4.090 2.163 ( -0.886 -1.011 1.321) 1.885 3.338 ( 0.245 0.573 -1.277) 1.421 3.344 ( -0.535 0.671 0.760) 1.147 3.382 ( 0.512 -0.756 -1.357) 1.636 3.388 ( -0.447 -0.700 1.603) 1.805 3.565 ( 0.088 -0.159 -0.699) 0.722 3.569 ( -0.489 -0.017 0.319) 0.584 3.676 ( 0.883 -0.259 0.839) 1.245 3.679 ( 0.699 -0.180 0.036) 0.723 3.998 ( 0.512 -0.709 0.337) 0.937 4.003 ( 0.052 -0.323 0.502) 0.599 4.017 ( 0.382 -1.145 -0.334) 1.252 4.025 ( -0.411 -1.017 0.375) 1.159 4.188 ( 0.245 0.484 0.645) 0.843 4.213 ( -2.078 -0.112 -0.256) 2.097 4.380 ( 2.740 0.423 -0.925) 2.923 4.415 ( -0.777 -0.354 0.365) 0.928 4.808 ( 0.791 0.921 -0.957) 1.546 4.818 ( -0.173 1.034 1.040) 1.477 4.892 ( 0.494 -0.881 -0.025) 1.010 4.910 ( -0.947 -0.871 -0.024) 1.287 5.309 ( 0.514 -0.727 0.071) 0.893 5.320 ( -0.251 -0.566 -0.461) 0.772 5.377 ( 0.440 -0.388 0.968) 1.131 5.389 ( -0.330 -0.270 -0.759) 0.871 5.602 ( 0.372 0.867 1.363) 1.658 5.611 ( -0.110 0.811 -0.865) 1.191 5.686 ( 0.756 0.111 -1.531) 1.712 5.694 ( -0.277 0.083 1.281) 1.313 6.298 ( 0.247 0.417 1.521) 1.596 6.315 ( -1.007 0.412 -0.948) 1.443 6.344 ( 1.051 -0.804 -1.793) 2.228 6.359 ( -0.755 -0.838 1.106) 1.580 6.659 ( 0.572 -0.151 -0.676) 0.898 6.672 ( -0.670 -0.305 0.594) 0.946 6.684 ( 0.262 -0.319 0.588) 0.718 6.691 ( -0.133 -0.487 -0.600) 0.784 6.719 ( 0.714 0.968 0.361) 1.255 6.733 ( -0.288 1.042 -0.141) 1.090 6.746 ( 0.429 0.838 0.675) 1.159 6.761 ( -0.491 0.745 -0.714) 1.143 8.624 ( 1.304 -0.086 1.682) 2.130 8.646 ( 1.065 -0.352 -0.886) 1.429 8.671 ( 0.143 0.203 -0.797) 0.834 8.713 ( -2.058 -0.641 0.120) 2.159 8.807 ( 0.422 0.129 -0.895) 0.998 8.833 ( -1.636 -0.405 -0.457) 1.746 8.923 ( 0.501 -0.558 -0.390) 0.846 8.929 ( -0.186 -0.570 0.969) 1.140 9.121 ( 0.919 0.077 0.545) 1.071 9.140 ( -0.526 -0.078 -0.753) 0.922 9.198 ( 0.969 -0.798 -1.854) 2.239 9.213 ( -0.755 -0.816 1.685) 2.019 9.391 ( 0.518 0.424 -0.252) 0.715 9.399 ( 0.043 0.488 -0.345) 0.599 9.413 ( -0.264 0.125 0.453) 0.539 9.417 ( -0.518 0.106 0.389) 0.656 9.854 ( -0.053 -0.287 1.906) 1.928 9.866 ( -0.579 -0.392 -1.726) 1.863 9.905 ( -0.048 -0.111 0.898) 0.906 9.910 ( -0.162 -0.025 -1.141) 1.153 10.226 ( 1.012 0.317 1.280) 1.662 10.256 ( -1.421 0.778 -0.355) 1.659 10.337 ( 1.910 -2.547 0.258) 3.194 10.374 ( -1.256 -2.822 -0.813) 3.194 10.588 ( 0.038 2.363 1.508) 2.803 10.597 ( -0.324 2.641 -1.383) 2.998 10.728 ( 0.517 -1.203 0.544) 1.418 10.743 ( -0.693 -1.056 -0.517) 1.365 11.169 ( 0.599 -0.219 -0.050) 0.640 11.174 ( 0.634 -0.125 0.118) 0.657 11.183 ( -0.566 -0.380 0.344) 0.763 11.189 ( -0.649 -0.292 0.145) 0.726 ======================= Grid point 87 (46/48) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -3.099 0.948 -2.582) 4.143 0.816 ( 3.099 0.948 2.582) 4.143 0.916 ( -0.232 -0.192 -3.038) 3.053 0.916 ( 0.232 -0.192 3.038) 3.053 1.055 ( -2.737 -1.092 -0.897) 3.081 1.055 ( 2.737 -1.092 0.897) 3.081 1.126 ( -1.384 -0.827 -1.118) 1.962 1.126 ( 1.384 -0.827 1.118) 1.962 1.193 ( 1.236 3.116 -7.550) 8.261 1.193 ( -1.236 3.116 7.550) 8.261 1.247 ( 0.062 -1.887 -3.451) 3.933 1.247 ( -0.062 -1.887 3.451) 3.933 1.374 ( -2.113 -1.268 -0.207) 2.473 1.374 ( 2.113 -1.268 0.207) 2.473 1.560 ( 0.025 -0.288 -1.423) 1.452 1.560 ( -0.025 -0.288 1.423) 1.452 1.617 ( -4.899 1.790 -2.121) 5.631 1.617 ( 4.899 1.790 2.121) 5.631 1.677 ( -1.996 -2.095 -0.897) 3.030 1.677 ( 1.996 -2.095 0.897) 3.030 1.953 ( -2.340 4.328 -5.837) 7.634 1.953 ( 2.340 4.328 5.837) 7.634 2.026 ( -3.596 -2.196 -4.985) 6.527 2.026 ( 3.596 -2.196 4.985) 6.527 3.357 ( -0.097 0.131 -0.692) 0.711 3.357 ( 0.097 0.131 0.692) 0.711 3.372 ( 0.134 -0.195 -1.158) 1.182 3.372 ( -0.134 -0.195 1.158) 1.182 3.598 ( -0.746 0.017 -1.679) 1.837 3.598 ( 0.746 0.017 1.679) 1.837 3.610 ( -0.541 -0.238 -1.117) 1.264 3.610 ( 0.541 -0.238 1.117) 1.264 3.987 ( 0.354 -0.081 -1.440) 1.485 3.987 ( -0.354 -0.081 1.440) 1.485 4.009 ( 0.111 -0.203 -1.253) 1.274 4.009 ( -0.111 -0.203 1.253) 1.274 4.269 ( -0.298 1.593 -0.382) 1.665 4.269 ( 0.298 1.593 0.382) 1.665 4.310 ( -2.408 -2.019 0.077) 3.143 4.310 ( 2.408 -2.019 -0.077) 3.143 4.828 ( -0.006 1.542 -1.163) 1.932 4.828 ( 0.006 1.542 1.163) 1.932 4.887 ( -0.148 -1.426 -0.939) 1.714 4.887 ( 0.148 -1.426 0.939) 1.714 5.298 ( 0.060 -0.377 -0.751) 0.842 5.298 ( -0.060 -0.377 0.751) 0.842 5.371 ( 0.082 -0.220 -0.492) 0.545 5.371 ( -0.082 -0.220 0.492) 0.545 5.625 ( 0.335 1.089 -1.193) 1.650 5.625 ( -0.335 1.089 1.193) 1.650 5.677 ( -0.047 -0.330 -1.021) 1.074 5.677 ( 0.047 -0.330 1.021) 1.074 6.304 ( 0.352 -0.160 -1.226) 1.286 6.304 ( -0.352 -0.160 1.226) 1.286 6.361 ( 0.002 0.021 -0.744) 0.744 6.361 ( -0.002 0.021 0.744) 0.744 6.659 ( -0.224 -0.013 -0.142) 0.266 6.659 ( 0.224 -0.013 0.142) 0.266 6.677 ( 0.077 -0.202 -0.164) 0.272 6.677 ( -0.077 -0.202 0.164) 0.272 6.724 ( -0.027 0.148 -0.139) 0.205 6.724 ( 0.027 0.148 0.139) 0.205 6.782 ( -0.015 0.639 -0.319) 0.714 6.782 ( 0.015 0.639 0.319) 0.714 8.592 ( 0.185 -0.002 -0.714) 0.737 8.592 ( -0.185 -0.002 0.714) 0.737 8.705 ( 0.128 -0.205 -0.334) 0.412 8.705 ( -0.128 -0.205 0.334) 0.412 8.871 ( -0.830 -0.021 -0.696) 1.084 8.871 ( 0.830 -0.021 0.696) 1.084 8.886 ( -0.534 -0.828 -1.572) 1.856 8.886 ( 0.534 -0.828 1.572) 1.856 9.111 ( 0.300 -0.099 -0.248) 0.401 9.111 ( -0.300 -0.099 0.248) 0.401 9.205 ( -0.244 -0.054 -0.154) 0.294 9.205 ( 0.244 -0.054 0.154) 0.294 9.400 ( 0.137 0.484 -0.559) 0.752 9.400 ( -0.137 0.484 0.559) 0.752 9.425 ( 0.078 -0.192 -0.363) 0.418 9.425 ( -0.078 -0.192 0.363) 0.418 9.863 ( 0.302 -0.393 -0.336) 0.599 9.863 ( -0.302 -0.393 0.336) 0.599 9.915 ( -0.056 0.087 -0.159) 0.190 9.915 ( 0.056 0.087 0.159) 0.190 10.227 ( -0.668 0.100 -0.604) 0.906 10.227 ( 0.668 0.100 0.604) 0.906 10.337 ( -0.476 -0.811 -0.346) 1.002 10.337 ( 0.476 -0.811 0.346) 1.002 10.650 ( 0.400 2.450 -1.100) 2.716 10.650 ( -0.400 2.450 1.100) 2.716 10.701 ( 0.065 -2.119 -0.996) 2.342 10.701 ( -0.065 -2.119 0.996) 2.342 11.152 ( 0.049 -0.123 -0.205) 0.244 11.152 ( -0.049 -0.123 0.205) 0.244 11.188 ( 0.114 -0.321 -0.230) 0.411 11.188 ( -0.114 -0.321 0.230) 0.411 ======================= Grid point 89 (47/48) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -5.803 2.289 -3.859) 7.335 0.802 ( -4.539 -5.291 -5.018) 8.589 0.845 ( -5.551 -0.491 -2.200) 5.991 0.868 ( -5.868 -2.577 2.007) 6.716 1.017 ( -1.746 4.177 -5.185) 6.884 1.049 ( -0.965 0.650 3.275) 3.476 1.055 ( -4.535 -2.323 -3.117) 5.973 1.137 ( 1.143 -3.525 -1.929) 4.178 1.173 ( 0.224 2.668 0.696) 2.766 1.221 ( 1.167 3.651 2.659) 4.665 1.237 ( 0.303 -2.206 -3.187) 3.888 1.281 ( 1.047 -1.033 1.105) 1.839 1.344 ( -1.370 -0.372 3.033) 3.349 1.394 ( -0.892 -3.267 4.302) 5.475 1.488 ( -5.096 3.063 -2.832) 6.586 1.535 ( -1.629 -0.153 -1.712) 2.368 1.580 ( 0.516 2.719 -2.044) 3.441 1.652 ( -1.096 -2.732 0.536) 2.992 1.681 ( -0.586 0.855 -2.192) 2.425 1.690 ( 1.208 0.364 -0.022) 1.262 1.960 ( 3.727 1.653 -2.017) 4.548 1.983 ( 2.166 -0.298 -1.552) 2.682 2.046 ( 3.346 3.232 4.105) 6.204 2.109 ( 2.412 -2.172 4.284) 5.375 3.352 ( -0.035 0.463 -0.869) 0.985 3.362 ( 0.016 -0.534 -0.221) 0.578 3.366 ( -0.153 0.546 0.449) 0.723 3.377 ( -0.020 -0.513 0.367) 0.631 3.573 ( -0.676 0.381 -0.539) 0.944 3.582 ( -0.876 -0.264 -0.000) 0.915 3.638 ( 1.662 -0.083 1.113) 2.002 3.644 ( 1.610 -0.565 0.217) 1.720 3.983 ( -0.148 0.105 0.830) 0.849 3.993 ( 0.183 -0.687 -0.371) 0.802 4.002 ( -0.321 0.230 0.473) 0.616 4.012 ( -0.152 -0.656 0.441) 0.805 4.219 ( -1.875 1.173 0.712) 2.323 4.247 ( -2.683 -1.320 0.311) 3.007 4.338 ( 3.374 1.370 -0.895) 3.750 4.372 ( 2.591 -1.718 -0.355) 3.129 4.826 ( 0.249 1.565 -0.434) 1.643 4.839 ( 0.700 1.356 0.606) 1.642 4.873 ( -0.735 -0.975 -0.315) 1.261 4.892 ( -0.100 -1.735 0.254) 1.756 5.295 ( 0.127 0.022 -0.466) 0.483 5.305 ( 0.387 -0.710 -0.516) 0.959 5.368 ( -0.139 0.163 0.602) 0.639 5.378 ( 0.182 -0.681 0.255) 0.750 5.620 ( -0.217 1.170 1.130) 1.641 5.629 ( 0.097 0.557 -0.184) 0.594 5.679 ( 0.495 0.074 -0.981) 1.101 5.686 ( 0.420 -0.453 0.392) 0.732 6.302 ( -0.003 0.287 0.601) 0.666 6.311 ( 0.579 -0.585 -1.150) 1.414 6.350 ( -0.833 0.365 -0.157) 0.923 6.357 ( -0.635 -0.352 0.572) 0.924 6.655 ( 0.035 0.236 -0.214) 0.321 6.663 ( 0.217 -0.399 -0.065) 0.459 6.679 ( 0.071 -0.068 0.344) 0.358 6.681 ( 0.203 -0.295 -0.100) 0.372 6.725 ( 0.316 0.555 0.343) 0.725 6.732 ( 0.606 -0.038 0.318) 0.685 6.776 ( -0.418 0.870 -0.281) 1.006 6.782 ( -0.196 0.334 -0.257) 0.465 8.600 ( 0.807 0.214 0.746) 1.120 8.607 ( 1.230 -0.301 -0.064) 1.268 8.696 ( -0.608 0.366 -0.155) 0.726 8.709 ( 0.035 -0.746 -0.148) 0.761 8.836 ( -1.648 0.295 -1.459) 2.221 8.849 ( -1.319 -0.837 -1.645) 2.268 8.901 ( 0.812 -0.170 0.438) 0.939 8.908 ( 0.644 -0.662 1.240) 1.546 9.112 ( 0.516 0.400 -0.400) 0.766 9.123 ( 0.929 -0.654 -0.924) 1.464 9.196 ( -0.647 0.272 0.224) 0.737 9.205 ( -0.405 -0.553 0.810) 1.061 9.399 ( 0.062 0.602 -0.075) 0.610 9.404 ( 0.303 0.253 -0.529) 0.660 9.421 ( -0.426 -0.060 0.703) 0.824 9.422 ( -0.247 -0.201 0.012) 0.318 9.854 ( -0.586 -0.001 0.803) 0.994 9.863 ( -0.333 -0.746 0.101) 0.823 9.911 ( -0.190 0.280 -0.499) 0.603 9.915 ( -0.104 -0.054 -0.477) 0.491 10.223 ( 0.330 0.993 0.335) 1.098 10.251 ( 1.327 -1.255 1.148) 2.157 10.312 ( -1.521 0.480 -0.707) 1.745 10.339 ( -0.451 -1.832 -0.559) 1.967 10.639 ( -0.427 2.307 0.947) 2.530 10.659 ( 0.122 2.319 -0.988) 2.524 10.688 ( -0.204 -1.697 0.798) 1.886 10.715 ( 0.322 -2.164 -0.426) 2.229 11.155 ( 0.319 -0.067 0.303) 0.445 11.157 ( 0.420 -0.193 0.183) 0.497 11.185 ( -0.276 -0.137 0.282) 0.417 11.188 ( -0.122 -0.395 -0.051) 0.416 ======================= Grid point 90 (48/48) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -2.703 -1.425 -1.710) 3.501 0.642 ( -6.652 -5.059 -4.777) 9.626 0.756 ( -2.419 -2.850 -0.414) 3.762 0.765 ( -3.041 -4.000 -0.922) 5.109 0.953 ( -1.443 -0.455 -2.328) 2.776 0.969 ( -3.163 -2.001 -0.008) 3.743 1.074 ( 1.217 2.324 1.000) 2.808 1.107 ( -1.684 -0.594 -1.349) 2.238 1.227 ( 2.257 0.178 1.665) 2.810 1.236 ( 0.716 1.377 1.989) 2.523 1.249 ( 1.019 0.549 -2.559) 2.809 1.270 ( -1.500 -0.481 0.721) 1.732 1.329 ( -0.863 2.195 3.399) 4.137 1.365 ( -3.328 4.848 -4.129) 7.185 1.440 ( 2.384 -2.497 4.609) 5.759 1.512 ( -1.577 -4.844 -4.807) 7.004 1.560 ( -0.251 3.355 -0.090) 3.366 1.599 ( -2.996 -0.378 -0.017) 3.020 1.691 ( 1.646 1.723 -1.846) 3.014 1.707 ( 0.027 0.650 0.717) 0.969 2.033 ( 3.052 1.973 -0.049) 3.634 2.050 ( 2.200 0.843 -0.891) 2.519 2.102 ( 1.812 0.705 1.542) 2.481 2.134 ( -0.800 -1.618 2.308) 2.930 3.352 ( 0.323 0.610 -1.052) 1.258 3.358 ( -0.403 0.419 0.859) 1.037 3.368 ( 0.302 -0.374 -0.643) 0.803 3.374 ( -0.363 -0.573 0.651) 0.940 3.567 ( 0.035 0.345 -0.162) 0.383 3.571 ( -0.342 0.078 0.099) 0.364 3.666 ( 0.732 -0.462 0.837) 1.204 3.669 ( 0.657 -0.625 -0.287) 0.951 3.986 ( 0.277 -0.204 0.386) 0.517 3.992 ( -0.175 -0.638 0.186) 0.687 4.000 ( 0.069 -0.191 0.121) 0.236 4.006 ( -0.451 -0.667 0.208) 0.831 4.198 ( -0.332 0.459 0.347) 0.664 4.207 ( -1.183 -0.366 -0.063) 1.240 4.391 ( 1.853 0.602 -0.571) 2.031 4.405 ( 0.499 -0.605 0.089) 0.789 4.835 ( 0.640 1.453 -0.306) 1.617 4.848 ( -0.497 1.631 0.328) 1.736 4.867 ( 0.662 -1.393 0.038) 1.542 4.884 ( -0.715 -1.542 0.014) 1.700 5.302 ( 0.504 0.076 -0.288) 0.585 5.308 ( -0.025 -0.434 -0.292) 0.524 5.369 ( 0.217 -0.137 0.398) 0.473 5.377 ( -0.339 -0.710 0.128) 0.797 5.622 ( 0.086 0.805 0.856) 1.178 5.627 ( -0.180 0.417 -0.328) 0.560 5.688 ( 0.542 0.093 -0.736) 0.919 5.692 ( 0.014 -0.238 0.422) 0.484 6.308 ( 0.556 0.525 0.309) 0.824 6.319 ( 0.212 -0.311 -0.874) 0.951 6.333 ( -0.371 0.106 -0.351) 0.522 6.342 ( -0.926 -0.624 0.831) 1.392 6.660 ( 0.377 0.206 -0.108) 0.443 6.666 ( -0.071 -0.286 -0.079) 0.305 6.678 ( -0.049 -0.132 0.333) 0.362 6.681 ( -0.139 -0.353 -0.236) 0.447 6.740 ( 0.884 0.826 0.575) 1.340 6.749 ( 0.652 0.123 0.410) 0.780 6.764 ( -0.505 0.770 -0.273) 0.961 6.772 ( -0.639 0.127 -0.569) 0.865 8.626 ( 1.300 0.276 0.874) 1.590 8.636 ( 1.094 -0.571 0.067) 1.236 8.680 ( -0.495 0.598 -0.494) 0.920 8.696 ( -1.307 -0.861 -0.258) 1.586 8.812 ( -0.093 0.367 -0.800) 0.885 8.823 ( -0.900 -0.537 -0.630) 1.223 8.914 ( 0.369 -0.216 0.018) 0.428 8.917 ( 0.031 -0.470 0.576) 0.744 9.127 ( 0.925 0.423 -0.448) 1.112 9.136 ( 0.247 -0.349 -0.486) 0.647 9.185 ( -0.087 -0.165 -0.378) 0.422 9.194 ( -0.876 -0.819 1.159) 1.667 9.402 ( 0.231 0.441 -0.370) 0.620 9.406 ( -0.114 0.092 -0.104) 0.180 9.416 ( -0.077 0.136 0.226) 0.274 9.418 ( -0.222 -0.048 0.286) 0.365 9.849 ( -0.096 -0.076 0.866) 0.874 9.854 ( -0.381 -0.528 -0.208) 0.684 9.907 ( -0.054 0.205 -0.080) 0.226 9.910 ( -0.192 -0.013 -0.587) 0.618 10.241 ( 1.192 1.170 1.053) 1.975 10.272 ( -1.056 -0.444 -1.201) 1.659 10.288 ( 0.932 -0.509 1.365) 1.729 10.318 ( -1.243 -2.155 -1.111) 2.724 10.640 ( 0.254 2.286 1.293) 2.638 10.652 ( -0.396 2.146 -1.292) 2.536 10.696 ( 0.508 -1.534 1.079) 1.943 10.710 ( -0.504 -1.926 -0.895) 2.183 11.166 ( 0.566 -0.039 0.185) 0.597 11.169 ( 0.593 -0.296 0.259) 0.712 11.178 ( -0.470 0.016 0.078) 0.476 11.182 ( -0.486 -0.315 -0.079) 0.585 =================== 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 3/14400 10.0 1.094 1.003 1.911 0.000 0.262 0.000 3/14400 20.0 0.425 0.390 0.674 0.000 0.085 0.000 3/14400 30.0 0.282 0.259 0.432 0.000 0.051 0.000 3/14400 40.0 0.217 0.200 0.327 0.000 0.037 0.000 3/14400 50.0 0.179 0.165 0.268 0.000 0.029 0.000 3/14400 60.0 0.153 0.142 0.229 0.000 0.023 0.000 3/14400 70.0 0.135 0.126 0.201 0.000 0.020 0.000 3/14400 80.0 0.120 0.113 0.179 0.000 0.017 0.000 3/14400 90.0 0.109 0.103 0.162 0.000 0.015 0.000 3/14400 100.0 0.100 0.095 0.149 0.000 0.013 0.000 3/14400 110.0 0.092 0.088 0.137 0.000 0.012 0.000 3/14400 120.0 0.086 0.082 0.127 0.000 0.011 0.000 3/14400 130.0 0.080 0.077 0.119 0.000 0.010 0.000 3/14400 140.0 0.075 0.072 0.112 0.000 0.009 0.000 3/14400 150.0 0.071 0.068 0.105 0.000 0.008 0.000 3/14400 160.0 0.067 0.065 0.100 0.000 0.008 0.000 3/14400 170.0 0.063 0.061 0.094 0.000 0.007 0.000 3/14400 180.0 0.060 0.059 0.090 0.000 0.007 0.000 3/14400 190.0 0.057 0.056 0.086 0.000 0.006 0.000 3/14400 200.0 0.055 0.054 0.082 0.000 0.006 0.000 3/14400 210.0 0.052 0.051 0.078 0.000 0.006 0.000 3/14400 220.0 0.050 0.049 0.075 0.000 0.006 0.000 3/14400 230.0 0.048 0.047 0.072 0.000 0.005 0.000 3/14400 240.0 0.046 0.046 0.069 0.000 0.005 0.000 3/14400 250.0 0.045 0.044 0.067 0.000 0.005 0.000 3/14400 260.0 0.043 0.043 0.064 0.000 0.005 0.000 3/14400 270.0 0.042 0.041 0.062 0.000 0.004 0.000 3/14400 280.0 0.040 0.040 0.060 0.000 0.004 0.000 3/14400 290.0 0.039 0.039 0.058 0.000 0.004 0.000 3/14400 300.0 0.038 0.037 0.056 0.000 0.004 0.000 3/14400 310.0 0.037 0.036 0.055 0.000 0.004 0.000 3/14400 320.0 0.036 0.035 0.053 0.000 0.004 0.000 3/14400 330.0 0.035 0.034 0.052 0.000 0.004 0.000 3/14400 340.0 0.034 0.033 0.050 0.000 0.004 0.000 3/14400 350.0 0.033 0.032 0.049 0.000 0.003 0.000 3/14400 360.0 0.032 0.032 0.048 0.000 0.003 0.000 3/14400 370.0 0.031 0.031 0.046 0.000 0.003 0.000 3/14400 380.0 0.030 0.030 0.045 0.000 0.003 0.000 3/14400 390.0 0.030 0.029 0.044 0.000 0.003 0.000 3/14400 400.0 0.029 0.029 0.043 0.000 0.003 0.000 3/14400 410.0 0.028 0.028 0.042 0.000 0.003 0.000 3/14400 420.0 0.028 0.027 0.041 0.000 0.003 0.000 3/14400 430.0 0.027 0.027 0.040 0.000 0.003 0.000 3/14400 440.0 0.026 0.026 0.039 0.000 0.003 0.000 3/14400 450.0 0.026 0.026 0.038 0.000 0.003 0.000 3/14400 460.0 0.025 0.025 0.038 0.000 0.003 0.000 3/14400 470.0 0.025 0.025 0.037 0.000 0.003 0.000 3/14400 480.0 0.024 0.024 0.036 0.000 0.003 0.000 3/14400 490.0 0.024 0.024 0.035 0.000 0.002 0.000 3/14400 500.0 0.023 0.023 0.035 0.000 0.002 0.000 3/14400 510.0 0.023 0.023 0.034 0.000 0.002 0.000 3/14400 520.0 0.022 0.022 0.033 0.000 0.002 0.000 3/14400 530.0 0.022 0.022 0.033 0.000 0.002 0.000 3/14400 540.0 0.022 0.022 0.032 0.000 0.002 0.000 3/14400 550.0 0.021 0.021 0.032 0.000 0.002 0.000 3/14400 560.0 0.021 0.021 0.031 0.000 0.002 0.000 3/14400 570.0 0.021 0.021 0.031 0.000 0.002 0.000 3/14400 580.0 0.020 0.020 0.030 0.000 0.002 0.000 3/14400 590.0 0.020 0.020 0.030 0.000 0.002 0.000 3/14400 600.0 0.020 0.020 0.029 0.000 0.002 0.000 3/14400 610.0 0.019 0.019 0.029 0.000 0.002 0.000 3/14400 620.0 0.019 0.019 0.028 0.000 0.002 0.000 3/14400 630.0 0.019 0.019 0.028 0.000 0.002 0.000 3/14400 640.0 0.018 0.018 0.027 0.000 0.002 0.000 3/14400 650.0 0.018 0.018 0.027 0.000 0.002 0.000 3/14400 660.0 0.018 0.018 0.027 0.000 0.002 0.000 3/14400 670.0 0.018 0.018 0.026 0.000 0.002 0.000 3/14400 680.0 0.017 0.017 0.026 0.000 0.002 0.000 3/14400 690.0 0.017 0.017 0.025 0.000 0.002 0.000 3/14400 700.0 0.017 0.017 0.025 0.000 0.002 0.000 3/14400 710.0 0.017 0.017 0.025 0.000 0.002 0.000 3/14400 720.0 0.016 0.016 0.024 0.000 0.002 0.000 3/14400 730.0 0.016 0.016 0.024 0.000 0.002 0.000 3/14400 740.0 0.016 0.016 0.024 0.000 0.002 0.000 3/14400 750.0 0.016 0.016 0.023 0.000 0.002 0.000 3/14400 760.0 0.016 0.016 0.023 0.000 0.002 0.000 3/14400 770.0 0.015 0.015 0.023 0.000 0.002 0.000 3/14400 780.0 0.015 0.015 0.023 0.000 0.002 0.000 3/14400 790.0 0.015 0.015 0.022 0.000 0.002 0.000 3/14400 800.0 0.015 0.015 0.022 0.000 0.002 0.000 3/14400 810.0 0.015 0.015 0.022 0.000 0.001 0.000 3/14400 820.0 0.014 0.014 0.021 0.000 0.001 0.000 3/14400 830.0 0.014 0.014 0.021 0.000 0.001 0.000 3/14400 840.0 0.014 0.014 0.021 0.000 0.001 0.000 3/14400 850.0 0.014 0.014 0.021 0.000 0.001 0.000 3/14400 860.0 0.014 0.014 0.021 0.000 0.001 0.000 3/14400 870.0 0.014 0.014 0.020 0.000 0.001 0.000 3/14400 880.0 0.013 0.013 0.020 0.000 0.001 0.000 3/14400 890.0 0.013 0.013 0.020 0.000 0.001 0.000 3/14400 900.0 0.013 0.013 0.020 0.000 0.001 0.000 3/14400 910.0 0.013 0.013 0.019 0.000 0.001 0.000 3/14400 920.0 0.013 0.013 0.019 0.000 0.001 0.000 3/14400 930.0 0.013 0.013 0.019 0.000 0.001 0.000 3/14400 940.0 0.013 0.013 0.019 0.000 0.001 0.000 3/14400 950.0 0.012 0.013 0.019 0.000 0.001 0.000 3/14400 960.0 0.012 0.012 0.018 0.000 0.001 0.000 3/14400 970.0 0.012 0.012 0.018 0.000 0.001 0.000 3/14400 980.0 0.012 0.012 0.018 0.000 0.001 0.000 3/14400 990.0 0.012 0.012 0.018 0.000 0.001 0.000 3/14400 1000.0 0.012 0.012 0.018 0.000 0.001 0.000 3/14400 Thermal conductivity related properties were written into "kappa-m556.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:40:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|