----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:57:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.573522840062762 0.000000000000000 0.000000000000000 b 0.000000000000000 8.349614370000001 0.000000000000000 c -5.125088201538357 0.000000000000000 12.950490032031077 Atomic positions (fractional): *1 O 0.99484060898544 0.33632309413088 0.84749321580253 15.999 2 O 0.00515939101456 0.83632309413088 0.65250678419747 15.999 3 O 0.00515939101456 0.66367690586912 0.15250678419747 15.999 4 O 0.99484060898544 0.16367690586912 0.34749321580253 15.999 *5 O 0.34852751900589 0.54515537398714 0.80718068454995 15.999 6 O 0.65147248099411 0.04515537398714 0.69281931545005 15.999 7 O 0.65147248099411 0.45484462601286 0.19281931545005 15.999 8 O 0.34852751900589 0.95484462601286 0.30718068454995 15.999 *9 O 0.82582915723262 0.62112146446064 0.76128063584396 15.999 10 O 0.17417084276738 0.12112146446064 0.73871936415604 15.999 11 O 0.17417084276738 0.37887853553936 0.23871936415604 15.999 12 O 0.82582915723262 0.87887853553936 0.26128063584396 15.999 *13 O 0.85578510268422 0.85142395286245 0.98460858651925 15.999 14 O 0.14421489731578 0.35142395286245 0.51539141348075 15.999 15 O 0.14421489731578 0.14857604713755 0.01539141348075 15.999 16 O 0.85578510268422 0.64857604713755 0.48460858651925 15.999 *17 O 0.17522695759827 0.89599388874023 0.46702512730983 15.999 18 O 0.82477304240173 0.39599388874023 0.03297487269017 15.999 19 O 0.82477304240173 0.10400611125977 0.53297487269017 15.999 20 O 0.17522695759827 0.60400611125977 0.96702512730983 15.999 *21 O 0.21326086891963 0.59672164618872 0.39247358208893 15.999 22 O 0.78673913108037 0.09672164618872 0.10752641791107 15.999 23 O 0.78673913108037 0.40327835381128 0.60752641791107 15.999 24 O 0.21326086891963 0.90327835381128 0.89247358208893 15.999 *25 O 0.40565031354665 0.83041745405243 0.10728367225245 15.999 26 O 0.59434968645334 0.33041745405243 0.39271632774755 15.999 27 O 0.59434968645334 0.16958254594757 0.89271632774755 15.999 28 O 0.40565031354665 0.66958254594757 0.60728367225245 15.999 *29 Cu 0.82009025856306 0.63629949369445 0.61847457660460 63.546 30 Cu 0.17990974143694 0.13629949369445 0.88152542339540 63.546 31 Cu 0.17990974143694 0.36370050630555 0.38152542339540 63.546 32 Cu 0.82009025856306 0.86370050630555 0.11847457660460 63.546 *33 As 0.83585732422976 0.31286578289503 0.50652514503230 74.922 34 As 0.16414267577024 0.81286578289503 0.99347485496770 74.922 35 As 0.16414267577024 0.68713421710497 0.49347485496770 74.922 36 As 0.83585732422976 0.18713421710497 0.00652514503230 74.922 *37 As 0.90585710058548 0.02633973996825 0.65750239950561 74.922 38 As 0.09414289941452 0.52633973996825 0.84249760049439 74.922 39 As 0.09414289941452 0.97366026003175 0.34249760049439 74.922 40 As 0.90585710058548 0.47366026003175 0.15750239950561 74.922 *41 Pb 0.48232967806256 0.81993211198119 0.77634235604947 207.200 42 Pb 0.51767032193744 0.31993211198119 0.72365764395053 207.200 43 Pb 0.51767032193744 0.18006788801881 0.22365764395053 207.200 44 Pb 0.48232967806256 0.68006788801881 0.27634235604947 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.573522840062762 0.000000000000000 0.000000000000000 b 0.000000000000000 8.349614370000001 0.000000000000000 c -5.125088201538357 0.000000000000000 12.950490032031077 Atomic positions (fractional): *1 O 0.99484060898544 0.33632309413088 0.84749321580253 15.999 > 1 2 O 0.00515939101456 0.83632309413088 0.65250678419747 15.999 > 2 3 O 0.00515939101456 0.66367690586912 0.15250678419747 15.999 > 3 4 O 0.99484060898544 0.16367690586912 0.34749321580253 15.999 > 4 *5 O 0.34852751900589 0.54515537398714 0.80718068454995 15.999 > 5 6 O 0.65147248099411 0.04515537398714 0.69281931545005 15.999 > 6 7 O 0.65147248099411 0.45484462601286 0.19281931545005 15.999 > 7 8 O 0.34852751900589 0.95484462601286 0.30718068454995 15.999 > 8 *9 O 0.82582915723262 0.62112146446064 0.76128063584396 15.999 > 9 10 O 0.17417084276738 0.12112146446064 0.73871936415604 15.999 > 10 11 O 0.17417084276738 0.37887853553936 0.23871936415604 15.999 > 11 12 O 0.82582915723262 0.87887853553936 0.26128063584396 15.999 > 12 *13 O 0.85578510268422 0.85142395286245 0.98460858651925 15.999 > 13 14 O 0.14421489731578 0.35142395286245 0.51539141348075 15.999 > 14 15 O 0.14421489731578 0.14857604713755 0.01539141348075 15.999 > 15 16 O 0.85578510268422 0.64857604713755 0.48460858651925 15.999 > 16 *17 O 0.17522695759827 0.89599388874023 0.46702512730983 15.999 > 17 18 O 0.82477304240173 0.39599388874023 0.03297487269017 15.999 > 18 19 O 0.82477304240173 0.10400611125977 0.53297487269017 15.999 > 19 20 O 0.17522695759827 0.60400611125977 0.96702512730983 15.999 > 20 *21 O 0.21326086891963 0.59672164618872 0.39247358208893 15.999 > 21 22 O 0.78673913108037 0.09672164618872 0.10752641791107 15.999 > 22 23 O 0.78673913108037 0.40327835381128 0.60752641791107 15.999 > 23 24 O 0.21326086891963 0.90327835381128 0.89247358208893 15.999 > 24 *25 O 0.40565031354665 0.83041745405243 0.10728367225245 15.999 > 25 26 O 0.59434968645334 0.33041745405243 0.39271632774755 15.999 > 26 27 O 0.59434968645334 0.16958254594757 0.89271632774755 15.999 > 27 28 O 0.40565031354665 0.66958254594757 0.60728367225245 15.999 > 28 *29 Cu 0.82009025856306 0.63629949369445 0.61847457660460 63.546 > 29 30 Cu 0.17990974143694 0.13629949369445 0.88152542339540 63.546 > 30 31 Cu 0.17990974143694 0.36370050630555 0.38152542339540 63.546 > 31 32 Cu 0.82009025856306 0.86370050630555 0.11847457660460 63.546 > 32 *33 As 0.83585732422976 0.31286578289503 0.50652514503230 74.922 > 33 34 As 0.16414267577024 0.81286578289503 0.99347485496770 74.922 > 34 35 As 0.16414267577024 0.68713421710497 0.49347485496770 74.922 > 35 36 As 0.83585732422976 0.18713421710497 0.00652514503230 74.922 > 36 *37 As 0.90585710058548 0.02633973996825 0.65750239950561 74.922 > 37 38 As 0.09414289941452 0.52633973996825 0.84249760049439 74.922 > 38 39 As 0.09414289941452 0.97366026003175 0.34249760049439 74.922 > 39 40 As 0.90585710058548 0.47366026003175 0.15750239950561 74.922 > 40 *41 Pb 0.48232967806256 0.81993211198119 0.77634235604947 207.200 > 41 42 Pb 0.51767032193744 0.31993211198119 0.72365764395053 207.200 > 42 43 Pb 0.51767032193744 0.18006788801881 0.22365764395053 207.200 > 43 44 Pb 0.48232967806256 0.68006788801881 0.27634235604947 207.200 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.147045680125524 0.000000000000000 0.000000000000000 b 0.000000000000000 8.349614370000001 0.000000000000000 c -5.125088201538357 0.000000000000000 12.950490032031077 Atomic positions (fractional): *1 O 0.49742030449272 0.33632309413088 0.84749321580253 15.999 > 1 2 O 0.99742030449272 0.33632309413088 0.84749321580253 15.999 > 1 3 O 0.00257969550728 0.83632309413088 0.65250678419747 15.999 > 2 4 O 0.50257969550728 0.83632309413088 0.65250678419747 15.999 > 2 5 O 0.00257969550728 0.66367690586912 0.15250678419747 15.999 > 3 6 O 0.50257969550728 0.66367690586912 0.15250678419747 15.999 > 3 7 O 0.49742030449272 0.16367690586912 0.34749321580253 15.999 > 4 8 O 0.99742030449272 0.16367690586912 0.34749321580253 15.999 > 4 *9 O 0.17426375950295 0.54515537398714 0.80718068454995 15.999 > 5 10 O 0.67426375950295 0.54515537398714 0.80718068454995 15.999 > 5 11 O 0.32573624049705 0.04515537398714 0.69281931545005 15.999 > 6 12 O 0.82573624049705 0.04515537398714 0.69281931545005 15.999 > 6 13 O 0.32573624049705 0.45484462601286 0.19281931545005 15.999 > 7 14 O 0.82573624049705 0.45484462601286 0.19281931545005 15.999 > 7 15 O 0.17426375950295 0.95484462601286 0.30718068454995 15.999 > 8 16 O 0.67426375950295 0.95484462601286 0.30718068454995 15.999 > 8 *17 O 0.41291457861631 0.62112146446064 0.76128063584396 15.999 > 9 18 O 0.91291457861631 0.62112146446064 0.76128063584396 15.999 > 9 19 O 0.08708542138369 0.12112146446064 0.73871936415604 15.999 > 10 20 O 0.58708542138369 0.12112146446064 0.73871936415604 15.999 > 10 21 O 0.08708542138369 0.37887853553936 0.23871936415604 15.999 > 11 22 O 0.58708542138369 0.37887853553936 0.23871936415604 15.999 > 11 23 O 0.41291457861631 0.87887853553936 0.26128063584396 15.999 > 12 24 O 0.91291457861631 0.87887853553936 0.26128063584396 15.999 > 12 *25 O 0.42789255134211 0.85142395286245 0.98460858651925 15.999 > 13 26 O 0.92789255134211 0.85142395286245 0.98460858651925 15.999 > 13 27 O 0.07210744865789 0.35142395286245 0.51539141348075 15.999 > 14 28 O 0.57210744865789 0.35142395286245 0.51539141348075 15.999 > 14 29 O 0.07210744865789 0.14857604713755 0.01539141348075 15.999 > 15 30 O 0.57210744865789 0.14857604713755 0.01539141348075 15.999 > 15 31 O 0.42789255134211 0.64857604713755 0.48460858651925 15.999 > 16 32 O 0.92789255134211 0.64857604713755 0.48460858651925 15.999 > 16 *33 O 0.08761347879913 0.89599388874023 0.46702512730983 15.999 > 17 34 O 0.58761347879913 0.89599388874023 0.46702512730983 15.999 > 17 35 O 0.41238652120087 0.39599388874023 0.03297487269017 15.999 > 18 36 O 0.91238652120087 0.39599388874023 0.03297487269017 15.999 > 18 37 O 0.41238652120087 0.10400611125977 0.53297487269017 15.999 > 19 38 O 0.91238652120087 0.10400611125977 0.53297487269017 15.999 > 19 39 O 0.08761347879913 0.60400611125977 0.96702512730983 15.999 > 20 40 O 0.58761347879913 0.60400611125977 0.96702512730983 15.999 > 20 *41 O 0.10663043445981 0.59672164618872 0.39247358208893 15.999 > 21 42 O 0.60663043445981 0.59672164618872 0.39247358208893 15.999 > 21 43 O 0.39336956554019 0.09672164618872 0.10752641791107 15.999 > 22 44 O 0.89336956554019 0.09672164618872 0.10752641791107 15.999 > 22 45 O 0.39336956554019 0.40327835381128 0.60752641791107 15.999 > 23 46 O 0.89336956554019 0.40327835381128 0.60752641791107 15.999 > 23 47 O 0.10663043445981 0.90327835381128 0.89247358208893 15.999 > 24 48 O 0.60663043445981 0.90327835381128 0.89247358208893 15.999 > 24 *49 O 0.20282515677333 0.83041745405243 0.10728367225245 15.999 > 25 50 O 0.70282515677333 0.83041745405243 0.10728367225245 15.999 > 25 51 O 0.29717484322667 0.33041745405243 0.39271632774755 15.999 > 26 52 O 0.79717484322667 0.33041745405243 0.39271632774755 15.999 > 26 53 O 0.29717484322667 0.16958254594757 0.89271632774755 15.999 > 27 54 O 0.79717484322667 0.16958254594757 0.89271632774755 15.999 > 27 55 O 0.20282515677333 0.66958254594757 0.60728367225245 15.999 > 28 56 O 0.70282515677333 0.66958254594757 0.60728367225245 15.999 > 28 *57 Cu 0.41004512928153 0.63629949369445 0.61847457660460 63.546 > 29 58 Cu 0.91004512928153 0.63629949369445 0.61847457660460 63.546 > 29 59 Cu 0.08995487071847 0.13629949369445 0.88152542339540 63.546 > 30 60 Cu 0.58995487071847 0.13629949369445 0.88152542339540 63.546 > 30 61 Cu 0.08995487071847 0.36370050630555 0.38152542339540 63.546 > 31 62 Cu 0.58995487071847 0.36370050630555 0.38152542339540 63.546 > 31 63 Cu 0.41004512928153 0.86370050630555 0.11847457660460 63.546 > 32 64 Cu 0.91004512928153 0.86370050630555 0.11847457660460 63.546 > 32 *65 As 0.41792866211488 0.31286578289503 0.50652514503230 74.922 > 33 66 As 0.91792866211488 0.31286578289503 0.50652514503230 74.922 > 33 67 As 0.08207133788512 0.81286578289503 0.99347485496770 74.922 > 34 68 As 0.58207133788512 0.81286578289503 0.99347485496770 74.922 > 34 69 As 0.08207133788512 0.68713421710497 0.49347485496770 74.922 > 35 70 As 0.58207133788512 0.68713421710497 0.49347485496770 74.922 > 35 71 As 0.41792866211488 0.18713421710497 0.00652514503230 74.922 > 36 72 As 0.91792866211488 0.18713421710497 0.00652514503230 74.922 > 36 *73 As 0.45292855029274 0.02633973996825 0.65750239950561 74.922 > 37 74 As 0.95292855029274 0.02633973996825 0.65750239950561 74.922 > 37 75 As 0.04707144970726 0.52633973996825 0.84249760049439 74.922 > 38 76 As 0.54707144970726 0.52633973996825 0.84249760049439 74.922 > 38 77 As 0.04707144970726 0.97366026003175 0.34249760049439 74.922 > 39 78 As 0.54707144970726 0.97366026003175 0.34249760049439 74.922 > 39 79 As 0.45292855029274 0.47366026003175 0.15750239950561 74.922 > 40 80 As 0.95292855029274 0.47366026003175 0.15750239950561 74.922 > 40 *81 Pb 0.24116483903128 0.81993211198119 0.77634235604947 207.200 > 41 82 Pb 0.74116483903128 0.81993211198119 0.77634235604947 207.200 > 41 83 Pb 0.25883516096872 0.31993211198119 0.72365764395053 207.200 > 42 84 Pb 0.75883516096872 0.31993211198119 0.72365764395053 207.200 > 42 85 Pb 0.25883516096872 0.18006788801881 0.22365764395053 207.200 > 43 86 Pb 0.75883516096872 0.18006788801881 0.22365764395053 207.200 > 43 87 Pb 0.24116483903128 0.68006788801881 0.27634235604947 207.200 > 44 88 Pb 0.74116483903128 0.68006788801881 0.27634235604947 207.200 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 26.9702397 0.0000000 -22.1802430 0.0000000 69.6259842 0.0000000 -22.5484767 0.0000000 78.4004598 -------------------------- Born effective charges -------------------------- 1 O -1.3826602 -0.4711863 0.1532856 -0.7198840 -3.0554399 0.2985146 0.0413258 -0.4831571 -1.2126702 2 O -1.3826602 0.4711863 0.1532856 0.7198840 -3.0554399 -0.2985146 0.0413258 0.4831571 -1.2126702 3 O -1.3826602 -0.4711863 0.1532856 -0.7198840 -3.0554399 0.2985146 0.0413258 -0.4831571 -1.2126702 4 O -1.3826602 0.4711863 0.1532856 0.7198840 -3.0554399 -0.2985146 0.0413258 0.4831571 -1.2126702 5 O -2.5040771 -0.1874125 0.6468219 -0.4159490 -2.4196744 -0.2543062 0.4301316 0.0019487 -1.2051330 6 O -2.5040771 0.1874125 0.6468219 0.4159490 -2.4196744 0.2543062 0.4301316 -0.0019487 -1.2051330 7 O -2.5040771 -0.1874125 0.6468219 -0.4159490 -2.4196744 -0.2543062 0.4301316 0.0019487 -1.2051330 8 O -2.5040771 0.1874125 0.6468219 0.4159490 -2.4196744 0.2543062 0.4301316 -0.0019487 -1.2051330 9 O -1.8404587 0.1109354 -0.0362183 0.1346504 -1.2338332 -0.3424558 -0.6853619 0.5450626 -1.9207867 10 O -1.8404587 -0.1109354 -0.0362183 -0.1346504 -1.2338332 0.3424558 -0.6853619 -0.5450626 -1.9207867 11 O -1.8404587 0.1109354 -0.0362183 0.1346504 -1.2338332 -0.3424558 -0.6853619 0.5450626 -1.9207867 12 O -1.8404587 -0.1109354 -0.0362183 -0.1346504 -1.2338332 0.3424558 -0.6853619 -0.5450626 -1.9207867 13 O -1.8826757 0.2629499 -0.3290271 0.9550255 -1.3973869 -0.4680797 0.9652397 -0.2028672 -2.5375547 14 O -1.8826757 -0.2629499 -0.3290271 -0.9550255 -1.3973869 0.4680797 0.9652397 0.2028672 -2.5375547 15 O -1.8826757 0.2629499 -0.3290271 0.9550255 -1.3973869 -0.4680797 0.9652397 -0.2028672 -2.5375547 16 O -1.8826757 -0.2629499 -0.3290271 -0.9550255 -1.3973869 0.4680797 0.9652397 0.2028672 -2.5375547 17 O -0.8304851 -0.1647613 -0.0150615 -0.7487360 -3.0958397 1.6009645 0.1347888 0.8571663 -1.3585099 18 O -0.8304851 0.1647613 -0.0150615 0.7487360 -3.0958397 -1.6009645 0.1347888 -0.8571663 -1.3585099 19 O -0.8304851 -0.1647613 -0.0150615 -0.7487360 -3.0958397 1.6009645 0.1347888 0.8571663 -1.3585099 20 O -0.8304851 0.1647613 -0.0150615 0.7487360 -3.0958397 -1.6009645 0.1347888 -0.8571663 -1.3585099 21 O -1.6107127 -0.4669526 0.6905398 -0.0599640 -1.8258394 -0.2538669 0.6306729 -1.2497597 -1.6619730 22 O -1.6107127 0.4669526 0.6905398 0.0599640 -1.8258394 0.2538669 0.6306729 1.2497597 -1.6619730 23 O -1.6107127 -0.4669526 0.6905398 -0.0599640 -1.8258394 -0.2538669 0.6306729 -1.2497597 -1.6619730 24 O -1.6107127 0.4669526 0.6905398 0.0599640 -1.8258394 0.2538669 0.6306729 1.2497597 -1.6619730 25 O -1.6454495 -0.0786338 -0.4093573 -0.3089887 -1.4108409 0.2636338 -0.5537020 0.0974500 -2.8091294 26 O -1.6454495 0.0786338 -0.4093573 0.3089887 -1.4108409 -0.2636338 -0.5537020 -0.0974500 -2.8091294 27 O -1.6454495 -0.0786338 -0.4093573 -0.3089887 -1.4108409 0.2636338 -0.5537020 0.0974500 -2.8091294 28 O -1.6454495 0.0786338 -0.4093573 0.3089887 -1.4108409 -0.2636338 -0.5537020 -0.0974500 -2.8091294 29 Cu 1.3670297 0.7128165 -0.7457344 0.2303735 2.5013132 0.4849341 -0.4176580 -0.3455955 2.1819657 30 Cu 1.3670297 -0.7128165 -0.7457344 -0.2303735 2.5013132 -0.4849341 -0.4176580 0.3455955 2.1819657 31 Cu 1.3670297 0.7128165 -0.7457344 0.2303735 2.5013132 0.4849341 -0.4176580 -0.3455955 2.1819657 32 Cu 1.3670297 -0.7128165 -0.7457344 -0.2303735 2.5013132 -0.4849341 -0.4176580 0.3455955 2.1819657 33 As 3.1927700 0.2672249 0.4529834 0.4826937 3.8857170 0.4658146 -0.5748030 -0.9230738 3.5607313 34 As 3.1927700 -0.2672249 0.4529834 -0.4826937 3.8857170 -0.4658146 -0.5748030 0.9230738 3.5607313 35 As 3.1927700 0.2672249 0.4529834 0.4826937 3.8857170 0.4658146 -0.5748030 -0.9230738 3.5607313 36 As 3.1927700 -0.2672249 0.4529834 -0.4826937 3.8857170 -0.4658146 -0.5748030 0.9230738 3.5607313 37 As 3.4613750 -0.6698554 0.0691589 -1.3182980 4.3944050 -1.8456842 0.2026266 0.8866759 3.2454371 38 As 3.4613750 0.6698554 0.0691589 1.3182980 4.3944050 1.8456842 0.2026266 -0.8866759 3.2454371 39 As 3.4613750 -0.6698554 0.0691589 -1.3182980 4.3944050 -1.8456842 0.2026266 0.8866759 3.2454371 40 As 3.4613750 0.6698554 0.0691589 1.3182980 4.3944050 1.8456842 0.2026266 -0.8866759 3.2454371 41 Pb 3.6753441 0.1332782 -0.4773911 -0.3056353 3.6574194 0.2498428 -0.1732603 0.4103891 3.7176229 42 Pb 3.6753441 -0.1332782 -0.4773911 0.3056353 3.6574194 -0.2498428 -0.1732603 -0.4103891 3.7176229 43 Pb 3.6753441 0.1332782 -0.4773911 -0.3056353 3.6574194 0.2498428 -0.1732603 0.4103891 3.7176229 44 Pb 3.6753441 -0.1332782 -0.4773911 0.3056353 3.6574194 -0.2498428 -0.1732603 -0.4103891 3.7176229 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 0.938 Solver_block: 200 / 1360 - Time: 0.815 Solver_block: 300 / 1360 - Time: 1.551 Solver_block: 400 / 1360 - Time: 1.885 Solver_block: 500 / 1360 - Time: 0.769 Solver_block: 600 / 1360 - Time: 0.803 Solver_block: 700 / 1360 - Time: 0.759 Solver_block: 800 / 1360 - Time: 1.696 Solver_block: 900 / 1360 - Time: 1.450 Solver_block: 1000 / 1360 - Time: 0.793 Solver_block: 1100 / 1360 - Time: 0.799 Solver_block: 1200 / 1360 - Time: 0.780 Solver_block: 1300 / 1360 - Time: 1.473 Solver_block: 1360 / 1360 - Time: 1.355 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.542 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:58:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:58:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.573522840062762 0.000000000000000 0.000000000000000 b 0.000000000000000 8.349614370000001 0.000000000000000 c -5.125088201538357 0.000000000000000 12.950490032031077 Atomic positions (fractional): 1 O 0.99484060898544 0.33632309413088 0.84749321580253 15.999 2 O 0.00515939101456 0.83632309413088 0.65250678419747 15.999 3 O 0.00515939101456 0.66367690586912 0.15250678419747 15.999 4 O 0.99484060898544 0.16367690586912 0.34749321580253 15.999 5 O 0.34852751900589 0.54515537398714 0.80718068454995 15.999 6 O 0.65147248099411 0.04515537398714 0.69281931545005 15.999 7 O 0.65147248099411 0.45484462601286 0.19281931545005 15.999 8 O 0.34852751900589 0.95484462601286 0.30718068454995 15.999 9 O 0.82582915723262 0.62112146446064 0.76128063584396 15.999 10 O 0.17417084276738 0.12112146446064 0.73871936415604 15.999 11 O 0.17417084276738 0.37887853553936 0.23871936415604 15.999 12 O 0.82582915723262 0.87887853553936 0.26128063584396 15.999 13 O 0.85578510268422 0.85142395286245 0.98460858651925 15.999 14 O 0.14421489731578 0.35142395286245 0.51539141348075 15.999 15 O 0.14421489731578 0.14857604713755 0.01539141348075 15.999 16 O 0.85578510268422 0.64857604713755 0.48460858651925 15.999 17 O 0.17522695759827 0.89599388874023 0.46702512730983 15.999 18 O 0.82477304240173 0.39599388874023 0.03297487269017 15.999 19 O 0.82477304240173 0.10400611125977 0.53297487269017 15.999 20 O 0.17522695759827 0.60400611125977 0.96702512730983 15.999 21 O 0.21326086891963 0.59672164618872 0.39247358208893 15.999 22 O 0.78673913108037 0.09672164618872 0.10752641791107 15.999 23 O 0.78673913108037 0.40327835381128 0.60752641791107 15.999 24 O 0.21326086891963 0.90327835381128 0.89247358208893 15.999 25 O 0.40565031354665 0.83041745405243 0.10728367225245 15.999 26 O 0.59434968645334 0.33041745405243 0.39271632774755 15.999 27 O 0.59434968645334 0.16958254594757 0.89271632774755 15.999 28 O 0.40565031354665 0.66958254594757 0.60728367225245 15.999 29 Cu 0.82009025856306 0.63629949369445 0.61847457660460 63.546 30 Cu 0.17990974143694 0.13629949369445 0.88152542339540 63.546 31 Cu 0.17990974143694 0.36370050630555 0.38152542339540 63.546 32 Cu 0.82009025856306 0.86370050630555 0.11847457660460 63.546 33 As 0.83585732422976 0.31286578289503 0.50652514503230 74.922 34 As 0.16414267577024 0.81286578289503 0.99347485496770 74.922 35 As 0.16414267577024 0.68713421710497 0.49347485496770 74.922 36 As 0.83585732422976 0.18713421710497 0.00652514503230 74.922 37 As 0.90585710058548 0.02633973996825 0.65750239950561 74.922 38 As 0.09414289941452 0.52633973996825 0.84249760049439 74.922 39 As 0.09414289941452 0.97366026003175 0.34249760049439 74.922 40 As 0.90585710058548 0.47366026003175 0.15750239950561 74.922 41 Pb 0.48232967806256 0.81993211198119 0.77634235604947 207.200 42 Pb 0.51767032193744 0.31993211198119 0.72365764395053 207.200 43 Pb 0.51767032193744 0.18006788801881 0.22365764395053 207.200 44 Pb 0.48232967806256 0.68006788801881 0.27634235604947 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.147045680125524 0.000000000000000 0.000000000000000 b 0.000000000000000 8.349614370000001 0.000000000000000 c -5.125088201538357 0.000000000000000 12.950490032031077 Atomic positions (fractional): 1 O 0.49742030449272 0.33632309413088 0.84749321580253 15.999 > 1 2 O 0.99742030449272 0.33632309413088 0.84749321580253 15.999 > 1 3 O 0.00257969550728 0.83632309413088 0.65250678419747 15.999 > 3 4 O 0.50257969550728 0.83632309413088 0.65250678419747 15.999 > 3 5 O 0.00257969550728 0.66367690586912 0.15250678419747 15.999 > 5 6 O 0.50257969550728 0.66367690586912 0.15250678419747 15.999 > 5 7 O 0.49742030449272 0.16367690586912 0.34749321580253 15.999 > 7 8 O 0.99742030449272 0.16367690586912 0.34749321580253 15.999 > 7 9 O 0.17426375950295 0.54515537398714 0.80718068454995 15.999 > 9 10 O 0.67426375950295 0.54515537398714 0.80718068454995 15.999 > 9 11 O 0.32573624049705 0.04515537398714 0.69281931545005 15.999 > 11 12 O 0.82573624049705 0.04515537398714 0.69281931545005 15.999 > 11 13 O 0.32573624049705 0.45484462601286 0.19281931545005 15.999 > 13 14 O 0.82573624049705 0.45484462601286 0.19281931545005 15.999 > 13 15 O 0.17426375950295 0.95484462601286 0.30718068454995 15.999 > 15 16 O 0.67426375950295 0.95484462601286 0.30718068454995 15.999 > 15 17 O 0.41291457861631 0.62112146446064 0.76128063584396 15.999 > 17 18 O 0.91291457861631 0.62112146446064 0.76128063584396 15.999 > 17 19 O 0.08708542138369 0.12112146446064 0.73871936415604 15.999 > 19 20 O 0.58708542138369 0.12112146446064 0.73871936415604 15.999 > 19 21 O 0.08708542138369 0.37887853553936 0.23871936415604 15.999 > 21 22 O 0.58708542138369 0.37887853553936 0.23871936415604 15.999 > 21 23 O 0.41291457861631 0.87887853553936 0.26128063584396 15.999 > 23 24 O 0.91291457861631 0.87887853553936 0.26128063584396 15.999 > 23 25 O 0.42789255134211 0.85142395286245 0.98460858651925 15.999 > 25 26 O 0.92789255134211 0.85142395286245 0.98460858651925 15.999 > 25 27 O 0.07210744865789 0.35142395286245 0.51539141348075 15.999 > 27 28 O 0.57210744865789 0.35142395286245 0.51539141348075 15.999 > 27 29 O 0.07210744865789 0.14857604713755 0.01539141348075 15.999 > 29 30 O 0.57210744865789 0.14857604713755 0.01539141348075 15.999 > 29 31 O 0.42789255134211 0.64857604713755 0.48460858651925 15.999 > 31 32 O 0.92789255134211 0.64857604713755 0.48460858651925 15.999 > 31 33 O 0.08761347879913 0.89599388874023 0.46702512730983 15.999 > 33 34 O 0.58761347879913 0.89599388874023 0.46702512730983 15.999 > 33 35 O 0.41238652120087 0.39599388874023 0.03297487269017 15.999 > 35 36 O 0.91238652120087 0.39599388874023 0.03297487269017 15.999 > 35 37 O 0.41238652120087 0.10400611125977 0.53297487269017 15.999 > 37 38 O 0.91238652120087 0.10400611125977 0.53297487269017 15.999 > 37 39 O 0.08761347879913 0.60400611125977 0.96702512730983 15.999 > 39 40 O 0.58761347879913 0.60400611125977 0.96702512730983 15.999 > 39 41 O 0.10663043445981 0.59672164618872 0.39247358208893 15.999 > 41 42 O 0.60663043445981 0.59672164618872 0.39247358208893 15.999 > 41 43 O 0.39336956554019 0.09672164618872 0.10752641791107 15.999 > 43 44 O 0.89336956554019 0.09672164618872 0.10752641791107 15.999 > 43 45 O 0.39336956554019 0.40327835381128 0.60752641791107 15.999 > 45 46 O 0.89336956554019 0.40327835381128 0.60752641791107 15.999 > 45 47 O 0.10663043445981 0.90327835381128 0.89247358208893 15.999 > 47 48 O 0.60663043445981 0.90327835381128 0.89247358208893 15.999 > 47 49 O 0.20282515677333 0.83041745405243 0.10728367225245 15.999 > 49 50 O 0.70282515677333 0.83041745405243 0.10728367225245 15.999 > 49 51 O 0.29717484322667 0.33041745405243 0.39271632774755 15.999 > 51 52 O 0.79717484322667 0.33041745405243 0.39271632774755 15.999 > 51 53 O 0.29717484322667 0.16958254594757 0.89271632774755 15.999 > 53 54 O 0.79717484322667 0.16958254594757 0.89271632774755 15.999 > 53 55 O 0.20282515677333 0.66958254594757 0.60728367225245 15.999 > 55 56 O 0.70282515677333 0.66958254594757 0.60728367225245 15.999 > 55 57 Cu 0.41004512928153 0.63629949369445 0.61847457660460 63.546 > 57 58 Cu 0.91004512928153 0.63629949369445 0.61847457660460 63.546 > 57 59 Cu 0.08995487071847 0.13629949369445 0.88152542339540 63.546 > 59 60 Cu 0.58995487071847 0.13629949369445 0.88152542339540 63.546 > 59 61 Cu 0.08995487071847 0.36370050630555 0.38152542339540 63.546 > 61 62 Cu 0.58995487071847 0.36370050630555 0.38152542339540 63.546 > 61 63 Cu 0.41004512928153 0.86370050630555 0.11847457660460 63.546 > 63 64 Cu 0.91004512928153 0.86370050630555 0.11847457660460 63.546 > 63 65 As 0.41792866211488 0.31286578289503 0.50652514503230 74.922 > 65 66 As 0.91792866211488 0.31286578289503 0.50652514503230 74.922 > 65 67 As 0.08207133788512 0.81286578289503 0.99347485496770 74.922 > 67 68 As 0.58207133788512 0.81286578289503 0.99347485496770 74.922 > 67 69 As 0.08207133788512 0.68713421710497 0.49347485496770 74.922 > 69 70 As 0.58207133788512 0.68713421710497 0.49347485496770 74.922 > 69 71 As 0.41792866211488 0.18713421710497 0.00652514503230 74.922 > 71 72 As 0.91792866211488 0.18713421710497 0.00652514503230 74.922 > 71 73 As 0.45292855029274 0.02633973996825 0.65750239950561 74.922 > 73 74 As 0.95292855029274 0.02633973996825 0.65750239950561 74.922 > 73 75 As 0.04707144970726 0.52633973996825 0.84249760049439 74.922 > 75 76 As 0.54707144970726 0.52633973996825 0.84249760049439 74.922 > 75 77 As 0.04707144970726 0.97366026003175 0.34249760049439 74.922 > 77 78 As 0.54707144970726 0.97366026003175 0.34249760049439 74.922 > 77 79 As 0.45292855029274 0.47366026003175 0.15750239950561 74.922 > 79 80 As 0.95292855029274 0.47366026003175 0.15750239950561 74.922 > 79 81 Pb 0.24116483903128 0.81993211198119 0.77634235604947 207.200 > 81 82 Pb 0.74116483903128 0.81993211198119 0.77634235604947 207.200 > 81 83 Pb 0.25883516096872 0.31993211198119 0.72365764395053 207.200 > 83 84 Pb 0.75883516096872 0.31993211198119 0.72365764395053 207.200 > 83 85 Pb 0.25883516096872 0.18006788801881 0.22365764395053 207.200 > 85 86 Pb 0.75883516096872 0.18006788801881 0.22365764395053 207.200 > 85 87 Pb 0.24116483903128 0.68006788801881 0.27634235604947 207.200 > 87 88 Pb 0.74116483903128 0.68006788801881 0.27634235604947 207.200 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 26.9702397 0.0000000 -22.1802430 0.0000000 69.6259842 0.0000000 -22.5484767 0.0000000 78.4004598 -------------------------- Born effective charges -------------------------- 1 O -1.3826602 -0.4711863 0.1532856 -0.7198840 -3.0554399 0.2985146 0.0413258 -0.4831571 -1.2126702 2 O -1.3826602 0.4711863 0.1532856 0.7198840 -3.0554399 -0.2985146 0.0413258 0.4831571 -1.2126702 3 O -1.3826602 -0.4711863 0.1532856 -0.7198840 -3.0554399 0.2985146 0.0413258 -0.4831571 -1.2126702 4 O -1.3826602 0.4711863 0.1532856 0.7198840 -3.0554399 -0.2985146 0.0413258 0.4831571 -1.2126702 5 O -2.5040771 -0.1874125 0.6468219 -0.4159490 -2.4196744 -0.2543062 0.4301316 0.0019487 -1.2051330 6 O -2.5040771 0.1874125 0.6468219 0.4159490 -2.4196744 0.2543062 0.4301316 -0.0019487 -1.2051330 7 O -2.5040771 -0.1874125 0.6468219 -0.4159490 -2.4196744 -0.2543062 0.4301316 0.0019487 -1.2051330 8 O -2.5040771 0.1874125 0.6468219 0.4159490 -2.4196744 0.2543062 0.4301316 -0.0019487 -1.2051330 9 O -1.8404587 0.1109354 -0.0362183 0.1346504 -1.2338332 -0.3424558 -0.6853619 0.5450626 -1.9207867 10 O -1.8404587 -0.1109354 -0.0362183 -0.1346504 -1.2338332 0.3424558 -0.6853619 -0.5450626 -1.9207867 11 O -1.8404587 0.1109354 -0.0362183 0.1346504 -1.2338332 -0.3424558 -0.6853619 0.5450626 -1.9207867 12 O -1.8404587 -0.1109354 -0.0362183 -0.1346504 -1.2338332 0.3424558 -0.6853619 -0.5450626 -1.9207867 13 O -1.8826757 0.2629499 -0.3290271 0.9550255 -1.3973869 -0.4680797 0.9652397 -0.2028672 -2.5375547 14 O -1.8826757 -0.2629499 -0.3290271 -0.9550255 -1.3973869 0.4680797 0.9652397 0.2028672 -2.5375547 15 O -1.8826757 0.2629499 -0.3290271 0.9550255 -1.3973869 -0.4680797 0.9652397 -0.2028672 -2.5375547 16 O -1.8826757 -0.2629499 -0.3290271 -0.9550255 -1.3973869 0.4680797 0.9652397 0.2028672 -2.5375547 17 O -0.8304851 -0.1647613 -0.0150615 -0.7487360 -3.0958397 1.6009645 0.1347888 0.8571663 -1.3585099 18 O -0.8304851 0.1647613 -0.0150615 0.7487360 -3.0958397 -1.6009645 0.1347888 -0.8571663 -1.3585099 19 O -0.8304851 -0.1647613 -0.0150615 -0.7487360 -3.0958397 1.6009645 0.1347888 0.8571663 -1.3585099 20 O -0.8304851 0.1647613 -0.0150615 0.7487360 -3.0958397 -1.6009645 0.1347888 -0.8571663 -1.3585099 21 O -1.6107127 -0.4669526 0.6905398 -0.0599640 -1.8258394 -0.2538669 0.6306729 -1.2497597 -1.6619730 22 O -1.6107127 0.4669526 0.6905398 0.0599640 -1.8258394 0.2538669 0.6306729 1.2497597 -1.6619730 23 O -1.6107127 -0.4669526 0.6905398 -0.0599640 -1.8258394 -0.2538669 0.6306729 -1.2497597 -1.6619730 24 O -1.6107127 0.4669526 0.6905398 0.0599640 -1.8258394 0.2538669 0.6306729 1.2497597 -1.6619730 25 O -1.6454495 -0.0786338 -0.4093573 -0.3089887 -1.4108409 0.2636338 -0.5537020 0.0974500 -2.8091294 26 O -1.6454495 0.0786338 -0.4093573 0.3089887 -1.4108409 -0.2636338 -0.5537020 -0.0974500 -2.8091294 27 O -1.6454495 -0.0786338 -0.4093573 -0.3089887 -1.4108409 0.2636338 -0.5537020 0.0974500 -2.8091294 28 O -1.6454495 0.0786338 -0.4093573 0.3089887 -1.4108409 -0.2636338 -0.5537020 -0.0974500 -2.8091294 29 Cu 1.3670297 0.7128165 -0.7457344 0.2303735 2.5013132 0.4849341 -0.4176580 -0.3455955 2.1819657 30 Cu 1.3670297 -0.7128165 -0.7457344 -0.2303735 2.5013132 -0.4849341 -0.4176580 0.3455955 2.1819657 31 Cu 1.3670297 0.7128165 -0.7457344 0.2303735 2.5013132 0.4849341 -0.4176580 -0.3455955 2.1819657 32 Cu 1.3670297 -0.7128165 -0.7457344 -0.2303735 2.5013132 -0.4849341 -0.4176580 0.3455955 2.1819657 33 As 3.1927700 0.2672249 0.4529834 0.4826937 3.8857170 0.4658146 -0.5748030 -0.9230738 3.5607313 34 As 3.1927700 -0.2672249 0.4529834 -0.4826937 3.8857170 -0.4658146 -0.5748030 0.9230738 3.5607313 35 As 3.1927700 0.2672249 0.4529834 0.4826937 3.8857170 0.4658146 -0.5748030 -0.9230738 3.5607313 36 As 3.1927700 -0.2672249 0.4529834 -0.4826937 3.8857170 -0.4658146 -0.5748030 0.9230738 3.5607313 37 As 3.4613750 -0.6698554 0.0691589 -1.3182980 4.3944050 -1.8456842 0.2026266 0.8866759 3.2454371 38 As 3.4613750 0.6698554 0.0691589 1.3182980 4.3944050 1.8456842 0.2026266 -0.8866759 3.2454371 39 As 3.4613750 -0.6698554 0.0691589 -1.3182980 4.3944050 -1.8456842 0.2026266 0.8866759 3.2454371 40 As 3.4613750 0.6698554 0.0691589 1.3182980 4.3944050 1.8456842 0.2026266 -0.8866759 3.2454371 41 Pb 3.6753441 0.1332782 -0.4773911 -0.3056353 3.6574194 0.2498428 -0.1732603 0.4103891 3.7176229 42 Pb 3.6753441 -0.1332782 -0.4773911 0.3056353 3.6574194 -0.2498428 -0.1732603 -0.4103891 3.7176229 43 Pb 3.6753441 0.1332782 -0.4773911 -0.3056353 3.6574194 0.2498428 -0.1732603 0.4103891 3.7176229 44 Pb 3.6753441 -0.1332782 -0.4773911 0.3056353 3.6574194 -0.2498428 -0.1732603 -0.4103891 3.7176229 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 9, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 41, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 57, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:59:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:59:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.573522840062762 0.000000000000000 0.000000000000000 b 0.000000000000000 8.349614370000001 0.000000000000000 c -5.125088201538357 0.000000000000000 12.950490032031077 Atomic positions (fractional): 1 O 0.99484060898544 0.33632309413088 0.84749321580253 15.999 2 O 0.00515939101456 0.83632309413088 0.65250678419747 15.999 3 O 0.00515939101456 0.66367690586912 0.15250678419747 15.999 4 O 0.99484060898544 0.16367690586912 0.34749321580253 15.999 5 O 0.34852751900589 0.54515537398714 0.80718068454995 15.999 6 O 0.65147248099411 0.04515537398714 0.69281931545005 15.999 7 O 0.65147248099411 0.45484462601286 0.19281931545005 15.999 8 O 0.34852751900589 0.95484462601286 0.30718068454995 15.999 9 O 0.82582915723262 0.62112146446064 0.76128063584396 15.999 10 O 0.17417084276738 0.12112146446064 0.73871936415604 15.999 11 O 0.17417084276738 0.37887853553936 0.23871936415604 15.999 12 O 0.82582915723262 0.87887853553936 0.26128063584396 15.999 13 O 0.85578510268422 0.85142395286245 0.98460858651925 15.999 14 O 0.14421489731578 0.35142395286245 0.51539141348075 15.999 15 O 0.14421489731578 0.14857604713755 0.01539141348075 15.999 16 O 0.85578510268422 0.64857604713755 0.48460858651925 15.999 17 O 0.17522695759827 0.89599388874023 0.46702512730983 15.999 18 O 0.82477304240173 0.39599388874023 0.03297487269017 15.999 19 O 0.82477304240173 0.10400611125977 0.53297487269017 15.999 20 O 0.17522695759827 0.60400611125977 0.96702512730983 15.999 21 O 0.21326086891963 0.59672164618872 0.39247358208893 15.999 22 O 0.78673913108037 0.09672164618872 0.10752641791107 15.999 23 O 0.78673913108037 0.40327835381128 0.60752641791107 15.999 24 O 0.21326086891963 0.90327835381128 0.89247358208893 15.999 25 O 0.40565031354665 0.83041745405243 0.10728367225245 15.999 26 O 0.59434968645334 0.33041745405243 0.39271632774755 15.999 27 O 0.59434968645334 0.16958254594757 0.89271632774755 15.999 28 O 0.40565031354665 0.66958254594757 0.60728367225245 15.999 29 Cu 0.82009025856306 0.63629949369445 0.61847457660460 63.546 30 Cu 0.17990974143694 0.13629949369445 0.88152542339540 63.546 31 Cu 0.17990974143694 0.36370050630555 0.38152542339540 63.546 32 Cu 0.82009025856306 0.86370050630555 0.11847457660460 63.546 33 As 0.83585732422976 0.31286578289503 0.50652514503230 74.922 34 As 0.16414267577024 0.81286578289503 0.99347485496770 74.922 35 As 0.16414267577024 0.68713421710497 0.49347485496770 74.922 36 As 0.83585732422976 0.18713421710497 0.00652514503230 74.922 37 As 0.90585710058548 0.02633973996825 0.65750239950561 74.922 38 As 0.09414289941452 0.52633973996825 0.84249760049439 74.922 39 As 0.09414289941452 0.97366026003175 0.34249760049439 74.922 40 As 0.90585710058548 0.47366026003175 0.15750239950561 74.922 41 Pb 0.48232967806256 0.81993211198119 0.77634235604947 207.200 42 Pb 0.51767032193744 0.31993211198119 0.72365764395053 207.200 43 Pb 0.51767032193744 0.18006788801881 0.22365764395053 207.200 44 Pb 0.48232967806256 0.68006788801881 0.27634235604947 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.147045680125524 0.000000000000000 0.000000000000000 b 0.000000000000000 8.349614370000001 0.000000000000000 c -5.125088201538357 0.000000000000000 12.950490032031077 Atomic positions (fractional): 1 O 0.49742030449272 0.33632309413088 0.84749321580253 15.999 > 1 2 O 0.99742030449272 0.33632309413088 0.84749321580253 15.999 > 1 3 O 0.00257969550728 0.83632309413088 0.65250678419747 15.999 > 3 4 O 0.50257969550728 0.83632309413088 0.65250678419747 15.999 > 3 5 O 0.00257969550728 0.66367690586912 0.15250678419747 15.999 > 5 6 O 0.50257969550728 0.66367690586912 0.15250678419747 15.999 > 5 7 O 0.49742030449272 0.16367690586912 0.34749321580253 15.999 > 7 8 O 0.99742030449272 0.16367690586912 0.34749321580253 15.999 > 7 9 O 0.17426375950295 0.54515537398714 0.80718068454995 15.999 > 9 10 O 0.67426375950295 0.54515537398714 0.80718068454995 15.999 > 9 11 O 0.32573624049705 0.04515537398714 0.69281931545005 15.999 > 11 12 O 0.82573624049705 0.04515537398714 0.69281931545005 15.999 > 11 13 O 0.32573624049705 0.45484462601286 0.19281931545005 15.999 > 13 14 O 0.82573624049705 0.45484462601286 0.19281931545005 15.999 > 13 15 O 0.17426375950295 0.95484462601286 0.30718068454995 15.999 > 15 16 O 0.67426375950295 0.95484462601286 0.30718068454995 15.999 > 15 17 O 0.41291457861631 0.62112146446064 0.76128063584396 15.999 > 17 18 O 0.91291457861631 0.62112146446064 0.76128063584396 15.999 > 17 19 O 0.08708542138369 0.12112146446064 0.73871936415604 15.999 > 19 20 O 0.58708542138369 0.12112146446064 0.73871936415604 15.999 > 19 21 O 0.08708542138369 0.37887853553936 0.23871936415604 15.999 > 21 22 O 0.58708542138369 0.37887853553936 0.23871936415604 15.999 > 21 23 O 0.41291457861631 0.87887853553936 0.26128063584396 15.999 > 23 24 O 0.91291457861631 0.87887853553936 0.26128063584396 15.999 > 23 25 O 0.42789255134211 0.85142395286245 0.98460858651925 15.999 > 25 26 O 0.92789255134211 0.85142395286245 0.98460858651925 15.999 > 25 27 O 0.07210744865789 0.35142395286245 0.51539141348075 15.999 > 27 28 O 0.57210744865789 0.35142395286245 0.51539141348075 15.999 > 27 29 O 0.07210744865789 0.14857604713755 0.01539141348075 15.999 > 29 30 O 0.57210744865789 0.14857604713755 0.01539141348075 15.999 > 29 31 O 0.42789255134211 0.64857604713755 0.48460858651925 15.999 > 31 32 O 0.92789255134211 0.64857604713755 0.48460858651925 15.999 > 31 33 O 0.08761347879913 0.89599388874023 0.46702512730983 15.999 > 33 34 O 0.58761347879913 0.89599388874023 0.46702512730983 15.999 > 33 35 O 0.41238652120087 0.39599388874023 0.03297487269017 15.999 > 35 36 O 0.91238652120087 0.39599388874023 0.03297487269017 15.999 > 35 37 O 0.41238652120087 0.10400611125977 0.53297487269017 15.999 > 37 38 O 0.91238652120087 0.10400611125977 0.53297487269017 15.999 > 37 39 O 0.08761347879913 0.60400611125977 0.96702512730983 15.999 > 39 40 O 0.58761347879913 0.60400611125977 0.96702512730983 15.999 > 39 41 O 0.10663043445981 0.59672164618872 0.39247358208893 15.999 > 41 42 O 0.60663043445981 0.59672164618872 0.39247358208893 15.999 > 41 43 O 0.39336956554019 0.09672164618872 0.10752641791107 15.999 > 43 44 O 0.89336956554019 0.09672164618872 0.10752641791107 15.999 > 43 45 O 0.39336956554019 0.40327835381128 0.60752641791107 15.999 > 45 46 O 0.89336956554019 0.40327835381128 0.60752641791107 15.999 > 45 47 O 0.10663043445981 0.90327835381128 0.89247358208893 15.999 > 47 48 O 0.60663043445981 0.90327835381128 0.89247358208893 15.999 > 47 49 O 0.20282515677333 0.83041745405243 0.10728367225245 15.999 > 49 50 O 0.70282515677333 0.83041745405243 0.10728367225245 15.999 > 49 51 O 0.29717484322667 0.33041745405243 0.39271632774755 15.999 > 51 52 O 0.79717484322667 0.33041745405243 0.39271632774755 15.999 > 51 53 O 0.29717484322667 0.16958254594757 0.89271632774755 15.999 > 53 54 O 0.79717484322667 0.16958254594757 0.89271632774755 15.999 > 53 55 O 0.20282515677333 0.66958254594757 0.60728367225245 15.999 > 55 56 O 0.70282515677333 0.66958254594757 0.60728367225245 15.999 > 55 57 Cu 0.41004512928153 0.63629949369445 0.61847457660460 63.546 > 57 58 Cu 0.91004512928153 0.63629949369445 0.61847457660460 63.546 > 57 59 Cu 0.08995487071847 0.13629949369445 0.88152542339540 63.546 > 59 60 Cu 0.58995487071847 0.13629949369445 0.88152542339540 63.546 > 59 61 Cu 0.08995487071847 0.36370050630555 0.38152542339540 63.546 > 61 62 Cu 0.58995487071847 0.36370050630555 0.38152542339540 63.546 > 61 63 Cu 0.41004512928153 0.86370050630555 0.11847457660460 63.546 > 63 64 Cu 0.91004512928153 0.86370050630555 0.11847457660460 63.546 > 63 65 As 0.41792866211488 0.31286578289503 0.50652514503230 74.922 > 65 66 As 0.91792866211488 0.31286578289503 0.50652514503230 74.922 > 65 67 As 0.08207133788512 0.81286578289503 0.99347485496770 74.922 > 67 68 As 0.58207133788512 0.81286578289503 0.99347485496770 74.922 > 67 69 As 0.08207133788512 0.68713421710497 0.49347485496770 74.922 > 69 70 As 0.58207133788512 0.68713421710497 0.49347485496770 74.922 > 69 71 As 0.41792866211488 0.18713421710497 0.00652514503230 74.922 > 71 72 As 0.91792866211488 0.18713421710497 0.00652514503230 74.922 > 71 73 As 0.45292855029274 0.02633973996825 0.65750239950561 74.922 > 73 74 As 0.95292855029274 0.02633973996825 0.65750239950561 74.922 > 73 75 As 0.04707144970726 0.52633973996825 0.84249760049439 74.922 > 75 76 As 0.54707144970726 0.52633973996825 0.84249760049439 74.922 > 75 77 As 0.04707144970726 0.97366026003175 0.34249760049439 74.922 > 77 78 As 0.54707144970726 0.97366026003175 0.34249760049439 74.922 > 77 79 As 0.45292855029274 0.47366026003175 0.15750239950561 74.922 > 79 80 As 0.95292855029274 0.47366026003175 0.15750239950561 74.922 > 79 81 Pb 0.24116483903128 0.81993211198119 0.77634235604947 207.200 > 81 82 Pb 0.74116483903128 0.81993211198119 0.77634235604947 207.200 > 81 83 Pb 0.25883516096872 0.31993211198119 0.72365764395053 207.200 > 83 84 Pb 0.75883516096872 0.31993211198119 0.72365764395053 207.200 > 83 85 Pb 0.25883516096872 0.18006788801881 0.22365764395053 207.200 > 85 86 Pb 0.75883516096872 0.18006788801881 0.22365764395053 207.200 > 85 87 Pb 0.24116483903128 0.68006788801881 0.27634235604947 207.200 > 87 88 Pb 0.74116483903128 0.68006788801881 0.27634235604947 207.200 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 26.9702397 0.0000000 -22.1802430 0.0000000 69.6259842 0.0000000 -22.5484767 0.0000000 78.4004598 -------------------------- Born effective charges -------------------------- 1 O -1.3826602 -0.4711863 0.1532856 -0.7198840 -3.0554399 0.2985146 0.0413258 -0.4831571 -1.2126702 2 O -1.3826602 0.4711863 0.1532856 0.7198840 -3.0554399 -0.2985146 0.0413258 0.4831571 -1.2126702 3 O -1.3826602 -0.4711863 0.1532856 -0.7198840 -3.0554399 0.2985146 0.0413258 -0.4831571 -1.2126702 4 O -1.3826602 0.4711863 0.1532856 0.7198840 -3.0554399 -0.2985146 0.0413258 0.4831571 -1.2126702 5 O -2.5040771 -0.1874125 0.6468219 -0.4159490 -2.4196744 -0.2543062 0.4301316 0.0019487 -1.2051330 6 O -2.5040771 0.1874125 0.6468219 0.4159490 -2.4196744 0.2543062 0.4301316 -0.0019487 -1.2051330 7 O -2.5040771 -0.1874125 0.6468219 -0.4159490 -2.4196744 -0.2543062 0.4301316 0.0019487 -1.2051330 8 O -2.5040771 0.1874125 0.6468219 0.4159490 -2.4196744 0.2543062 0.4301316 -0.0019487 -1.2051330 9 O -1.8404587 0.1109354 -0.0362183 0.1346504 -1.2338332 -0.3424558 -0.6853619 0.5450626 -1.9207867 10 O -1.8404587 -0.1109354 -0.0362183 -0.1346504 -1.2338332 0.3424558 -0.6853619 -0.5450626 -1.9207867 11 O -1.8404587 0.1109354 -0.0362183 0.1346504 -1.2338332 -0.3424558 -0.6853619 0.5450626 -1.9207867 12 O -1.8404587 -0.1109354 -0.0362183 -0.1346504 -1.2338332 0.3424558 -0.6853619 -0.5450626 -1.9207867 13 O -1.8826757 0.2629499 -0.3290271 0.9550255 -1.3973869 -0.4680797 0.9652397 -0.2028672 -2.5375547 14 O -1.8826757 -0.2629499 -0.3290271 -0.9550255 -1.3973869 0.4680797 0.9652397 0.2028672 -2.5375547 15 O -1.8826757 0.2629499 -0.3290271 0.9550255 -1.3973869 -0.4680797 0.9652397 -0.2028672 -2.5375547 16 O -1.8826757 -0.2629499 -0.3290271 -0.9550255 -1.3973869 0.4680797 0.9652397 0.2028672 -2.5375547 17 O -0.8304851 -0.1647613 -0.0150615 -0.7487360 -3.0958397 1.6009645 0.1347888 0.8571663 -1.3585099 18 O -0.8304851 0.1647613 -0.0150615 0.7487360 -3.0958397 -1.6009645 0.1347888 -0.8571663 -1.3585099 19 O -0.8304851 -0.1647613 -0.0150615 -0.7487360 -3.0958397 1.6009645 0.1347888 0.8571663 -1.3585099 20 O -0.8304851 0.1647613 -0.0150615 0.7487360 -3.0958397 -1.6009645 0.1347888 -0.8571663 -1.3585099 21 O -1.6107127 -0.4669526 0.6905398 -0.0599640 -1.8258394 -0.2538669 0.6306729 -1.2497597 -1.6619730 22 O -1.6107127 0.4669526 0.6905398 0.0599640 -1.8258394 0.2538669 0.6306729 1.2497597 -1.6619730 23 O -1.6107127 -0.4669526 0.6905398 -0.0599640 -1.8258394 -0.2538669 0.6306729 -1.2497597 -1.6619730 24 O -1.6107127 0.4669526 0.6905398 0.0599640 -1.8258394 0.2538669 0.6306729 1.2497597 -1.6619730 25 O -1.6454495 -0.0786338 -0.4093573 -0.3089887 -1.4108409 0.2636338 -0.5537020 0.0974500 -2.8091294 26 O -1.6454495 0.0786338 -0.4093573 0.3089887 -1.4108409 -0.2636338 -0.5537020 -0.0974500 -2.8091294 27 O -1.6454495 -0.0786338 -0.4093573 -0.3089887 -1.4108409 0.2636338 -0.5537020 0.0974500 -2.8091294 28 O -1.6454495 0.0786338 -0.4093573 0.3089887 -1.4108409 -0.2636338 -0.5537020 -0.0974500 -2.8091294 29 Cu 1.3670297 0.7128165 -0.7457344 0.2303735 2.5013132 0.4849341 -0.4176580 -0.3455955 2.1819657 30 Cu 1.3670297 -0.7128165 -0.7457344 -0.2303735 2.5013132 -0.4849341 -0.4176580 0.3455955 2.1819657 31 Cu 1.3670297 0.7128165 -0.7457344 0.2303735 2.5013132 0.4849341 -0.4176580 -0.3455955 2.1819657 32 Cu 1.3670297 -0.7128165 -0.7457344 -0.2303735 2.5013132 -0.4849341 -0.4176580 0.3455955 2.1819657 33 As 3.1927700 0.2672249 0.4529834 0.4826937 3.8857170 0.4658146 -0.5748030 -0.9230738 3.5607313 34 As 3.1927700 -0.2672249 0.4529834 -0.4826937 3.8857170 -0.4658146 -0.5748030 0.9230738 3.5607313 35 As 3.1927700 0.2672249 0.4529834 0.4826937 3.8857170 0.4658146 -0.5748030 -0.9230738 3.5607313 36 As 3.1927700 -0.2672249 0.4529834 -0.4826937 3.8857170 -0.4658146 -0.5748030 0.9230738 3.5607313 37 As 3.4613750 -0.6698554 0.0691589 -1.3182980 4.3944050 -1.8456842 0.2026266 0.8866759 3.2454371 38 As 3.4613750 0.6698554 0.0691589 1.3182980 4.3944050 1.8456842 0.2026266 -0.8866759 3.2454371 39 As 3.4613750 -0.6698554 0.0691589 -1.3182980 4.3944050 -1.8456842 0.2026266 0.8866759 3.2454371 40 As 3.4613750 0.6698554 0.0691589 1.3182980 4.3944050 1.8456842 0.2026266 -0.8866759 3.2454371 41 Pb 3.6753441 0.1332782 -0.4773911 -0.3056353 3.6574194 0.2498428 -0.1732603 0.4103891 3.7176229 42 Pb 3.6753441 -0.1332782 -0.4773911 0.3056353 3.6574194 -0.2498428 -0.1732603 -0.4103891 3.7176229 43 Pb 3.6753441 0.1332782 -0.4773911 -0.3056353 3.6574194 0.2498428 -0.1732603 0.4103891 3.7176229 44 Pb 3.6753441 -0.1332782 -0.4773911 0.3056353 3.6574194 -0.2498428 -0.1732603 -0.4103891 3.7176229 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 6 4 ] 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: 0.49, Number of G-points: 295, Lambda: 0.39 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.100 ( 0.000 0.000 0.000) 0.000 1.324 ( 0.000 0.000 0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.309 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.839 ( 0.000 0.000 0.000) 0.000 8.859 ( 0.000 0.000 0.000) 0.000 9.073 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 9.994 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.184 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 10.612 ( 0.000 0.000 0.000) 0.000 11.022 ( 0.000 0.000 0.000) 0.000 11.085 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 12.139 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.582 ( 0.000 0.000 0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 13.259 ( 0.000 0.000 0.000) 0.000 13.419 ( 0.000 0.000 0.000) 0.000 13.481 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.793 ( 0.000 0.000 0.000) 0.000 13.798 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 13.904 ( 0.000 0.000 0.000) 0.000 15.550 ( 0.000 0.000 0.000) 0.000 15.679 ( 0.000 0.000 0.000) 0.000 16.313 ( 0.000 0.000 0.000) 0.000 16.327 ( 0.000 0.000 0.000) 0.000 20.682 ( 0.000 0.000 0.000) 0.000 20.712 ( 0.000 0.000 0.000) 0.000 20.728 ( 0.000 0.000 0.000) 0.000 20.847 ( 0.000 0.000 0.000) 0.000 21.044 ( 0.000 0.000 0.000) 0.000 21.401 ( 0.000 0.000 0.000) 0.000 21.568 ( 0.000 0.000 0.000) 0.000 21.669 ( 0.000 0.000 0.000) 0.000 21.860 ( 0.000 0.000 0.000) 0.000 22.098 ( 0.000 0.000 0.000) 0.000 22.186 ( 0.000 0.000 0.000) 0.000 22.192 ( 0.000 0.000 0.000) 0.000 22.527 ( 0.000 0.000 0.000) 0.000 22.730 ( 0.000 0.000 0.000) 0.000 22.820 ( 0.000 0.000 0.000) 0.000 23.020 ( 0.000 0.000 0.000) 0.000 23.579 ( 0.000 0.000 0.000) 0.000 23.603 ( 0.000 0.000 0.000) 0.000 23.754 ( 0.000 0.000 0.000) 0.000 23.772 ( 0.000 0.000 0.000) 0.000 23.887 ( 0.000 0.000 0.000) 0.000 23.913 ( 0.000 0.000 0.000) 0.000 24.112 ( 0.000 0.000 0.000) 0.000 24.159 ( 0.000 0.000 0.000) 0.000 24.312 ( 0.000 0.000 0.000) 0.000 24.446 ( 0.000 0.000 0.000) 0.000 24.576 ( 0.000 0.000 0.000) 0.000 24.844 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 19.897 0.000 -0.346) 19.900 0.455 ( 23.600 0.000 2.100) 23.694 0.661 ( 29.402 0.000 12.355) 31.893 1.125 ( 2.319 0.000 1.472) 2.747 1.318 ( 1.754 0.000 -5.191) 5.479 1.431 ( 0.524 0.000 -1.065) 1.187 1.528 ( -0.739 0.000 -0.724) 1.035 1.576 ( -0.851 0.000 0.822) 1.183 1.751 ( -9.796 0.000 5.933) 11.453 1.870 ( -1.208 0.000 2.982) 3.218 1.896 ( 1.631 0.000 -0.996) 1.911 1.989 ( 0.389 0.000 0.160) 0.421 2.186 ( 6.795 0.000 0.592) 6.821 2.188 ( 0.036 0.000 -5.275) 5.275 2.220 ( -5.418 0.000 -3.363) 6.377 2.273 ( -2.491 0.000 8.409) 8.770 2.393 ( 0.572 0.000 3.515) 3.561 2.625 ( -7.132 0.000 4.169) 8.261 2.632 ( -0.386 0.000 -4.235) 4.252 2.817 ( -0.920 0.000 0.549) 1.072 2.829 ( 4.146 0.000 -6.248) 7.499 2.982 ( 0.724 0.000 3.119) 3.202 2.989 ( 10.934 0.000 -3.103) 11.366 3.124 ( 0.468 0.000 -3.074) 3.109 3.373 ( -5.454 0.000 5.382) 7.663 3.399 ( -0.832 0.000 -2.431) 2.569 3.637 ( -2.124 0.000 -4.893) 5.334 3.718 ( 1.571 0.000 -4.390) 4.663 3.765 ( 9.790 0.000 -10.203) 14.141 3.930 ( -7.151 0.000 8.735) 11.289 4.058 ( -0.597 0.000 -2.372) 2.446 4.111 ( 6.249 0.000 -6.942) 9.340 4.126 ( -3.517 0.000 3.739) 5.133 4.196 ( -3.018 0.000 10.729) 11.145 4.279 ( 2.341 0.000 -5.697) 6.159 4.369 ( -0.457 0.000 -1.877) 1.932 4.472 ( -2.179 0.000 8.802) 9.067 4.554 ( 6.496 0.000 -4.789) 8.070 4.596 ( 0.373 0.000 8.810) 8.817 4.814 ( 3.166 0.000 -4.748) 5.707 4.835 ( 2.848 0.000 -1.047) 3.035 5.091 ( 3.546 0.000 0.045) 3.546 5.156 ( 1.453 0.000 -1.943) 2.426 5.375 ( 0.528 0.000 1.993) 2.062 5.387 ( 1.260 0.000 2.179) 2.517 5.556 ( -2.619 0.000 -3.057) 4.026 5.644 ( 1.145 0.000 0.378) 1.206 5.679 ( -4.391 0.000 -2.157) 4.893 5.928 ( -0.159 0.000 -1.566) 1.574 6.032 ( 0.910 0.000 8.502) 8.550 6.284 ( 2.647 0.000 -2.856) 3.894 6.419 ( -6.145 0.000 4.860) 7.835 6.616 ( -2.002 0.000 -0.630) 2.099 6.645 ( -1.883 0.000 -2.421) 3.068 6.757 ( 4.054 0.000 -5.084) 6.502 6.914 ( 0.243 0.000 1.629) 1.647 7.277 ( 1.279 0.000 -1.718) 2.142 7.298 ( -2.387 0.000 -2.630) 3.552 7.426 ( -1.052 0.000 -6.311) 6.398 7.518 ( -0.972 0.000 -1.237) 1.573 7.605 ( -0.655 0.000 5.672) 5.709 7.671 ( -10.419 0.000 5.757) 11.904 7.969 ( 3.423 0.000 -4.279) 5.479 8.076 ( -1.131 0.000 5.918) 6.025 8.137 ( 6.481 0.000 -2.106) 6.815 8.302 ( -0.593 0.000 -1.039) 1.197 8.487 ( -1.522 0.000 1.834) 2.384 8.624 ( -1.439 0.000 0.583) 1.553 8.650 ( 1.962 0.000 -2.262) 2.994 8.771 ( -1.903 0.000 -2.499) 3.141 8.949 ( 4.399 0.000 2.768) 5.198 9.060 ( 0.050 0.000 -3.678) 3.679 9.107 ( -0.445 0.000 0.993) 1.088 9.129 ( 0.349 0.000 1.651) 1.687 9.765 ( -5.754 0.000 -2.942) 6.463 9.817 ( -10.454 0.000 3.337) 10.974 10.056 ( 3.941 0.000 0.909) 4.044 10.173 ( 8.973 0.000 -2.547) 9.328 10.186 ( 1.131 0.000 -0.129) 1.138 10.201 ( 3.062 0.000 -0.238) 3.071 10.542 ( 1.470 0.000 0.083) 1.472 10.625 ( 0.712 0.000 1.488) 1.650 10.926 ( -3.832 0.000 -4.602) 5.989 11.041 ( -7.752 0.000 5.894) 9.738 11.218 ( 8.121 0.000 4.275) 9.178 11.248 ( 8.241 0.000 -4.982) 9.630 11.592 ( -1.900 0.000 0.649) 2.008 11.730 ( -2.307 0.000 -2.366) 3.305 12.142 ( 0.922 0.000 -1.332) 1.620 12.444 ( 0.738 0.000 -3.936) 4.005 12.580 ( -1.074 0.000 2.548) 2.765 13.100 ( -1.860 0.000 -6.133) 6.409 13.272 ( 1.708 0.000 -1.431) 2.228 13.472 ( -2.039 0.000 2.842) 3.497 13.475 ( -4.352 0.000 10.941) 11.775 13.570 ( 3.073 0.000 -0.092) 3.074 13.705 ( -6.316 0.000 -1.282) 6.444 13.787 ( -0.225 0.000 -1.021) 1.046 13.932 ( 3.136 0.000 -1.534) 3.491 14.004 ( 7.030 0.000 0.007) 7.030 15.565 ( 1.053 0.000 0.780) 1.310 15.684 ( 0.745 0.000 -0.585) 0.947 16.298 ( -1.639 0.000 0.148) 1.645 16.313 ( -1.480 0.000 -0.138) 1.487 20.677 ( -0.377 0.000 -0.357) 0.519 20.725 ( -0.525 0.000 0.410) 0.666 20.737 ( 1.977 0.000 -5.917) 6.238 20.849 ( -0.183 0.000 0.808) 0.828 21.137 ( 1.656 0.000 2.673) 3.145 21.400 ( 0.629 0.000 -1.766) 1.874 21.583 ( 1.652 0.000 -0.007) 1.652 21.677 ( 0.790 0.000 -0.217) 0.819 21.872 ( 1.571 0.000 -0.012) 1.572 22.109 ( 0.318 0.000 1.962) 1.988 22.172 ( -0.750 0.000 -1.798) 1.948 22.225 ( -2.220 0.000 4.327) 4.864 22.527 ( -0.656 0.000 2.134) 2.233 22.744 ( -0.661 0.000 2.972) 3.045 22.801 ( -1.142 0.000 -2.312) 2.579 23.013 ( -1.057 0.000 0.510) 1.174 23.600 ( -0.160 0.000 0.181) 0.242 23.731 ( -2.465 0.000 -0.573) 2.531 23.740 ( 1.541 0.000 -7.970) 8.118 23.767 ( -1.667 0.000 3.154) 3.568 23.882 ( 0.115 0.000 -1.536) 1.540 23.907 ( -0.470 0.000 0.699) 0.842 24.158 ( 4.058 0.000 0.604) 4.103 24.167 ( 1.165 0.000 -1.103) 1.604 24.407 ( -1.197 0.000 3.375) 3.581 24.434 ( -0.603 0.000 -1.480) 1.598 24.625 ( 4.197 0.000 2.819) 5.056 24.851 ( 1.593 0.000 -1.769) 2.380 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 17.778 0.000 -0.972) 17.805 0.857 ( 18.465 0.000 3.184) 18.738 1.099 ( 8.102 0.000 2.221) 8.401 1.266 ( 12.540 0.000 6.245) 14.009 1.333 ( 4.979 0.000 -7.032) 8.616 1.469 ( 6.737 0.000 -0.687) 6.772 1.511 ( -0.010 0.000 -1.254) 1.254 1.526 ( -7.590 0.000 3.167) 8.224 1.641 ( -5.245 0.000 5.778) 7.804 1.848 ( -3.155 0.000 2.046) 3.760 1.920 ( 1.620 0.000 -1.136) 1.979 1.973 ( -1.594 0.000 -0.872) 1.817 2.097 ( -5.000 0.000 -3.043) 5.853 2.174 ( 3.867 0.000 -7.999) 8.884 2.281 ( 2.804 0.000 -0.541) 2.856 2.288 ( -1.150 0.000 5.785) 5.898 2.462 ( 3.708 0.000 5.578) 6.698 2.564 ( -4.707 0.000 10.559) 11.560 2.655 ( 5.258 0.000 -3.314) 6.215 2.812 ( -1.264 0.000 5.387) 5.534 2.817 ( 2.453 0.000 -11.215) 11.480 3.014 ( 0.205 0.000 1.651) 1.664 3.115 ( 3.336 0.000 -2.179) 3.985 3.130 ( 2.374 0.000 -2.147) 3.201 3.326 ( 1.522 0.000 0.388) 1.571 3.437 ( 2.990 0.000 2.372) 3.816 3.529 ( -4.326 0.000 -8.213) 9.283 3.691 ( -0.655 0.000 -5.515) 5.554 3.830 ( 4.555 0.000 -8.595) 9.727 3.878 ( -4.722 0.000 8.032) 9.317 4.044 ( 1.712 0.000 -2.848) 3.323 4.114 ( -1.097 0.000 4.547) 4.678 4.131 ( 2.842 0.000 -8.265) 8.740 4.235 ( 0.163 0.000 7.795) 7.797 4.329 ( 3.581 0.000 1.695) 3.962 4.350 ( 0.071 0.000 -2.894) 2.895 4.492 ( -3.566 0.000 11.479) 12.020 4.600 ( 2.734 0.000 -6.508) 7.059 4.659 ( -0.263 0.000 6.518) 6.523 4.853 ( 1.863 0.000 2.100) 2.807 4.914 ( 6.634 0.000 -1.691) 6.846 5.173 ( 4.563 0.000 -8.324) 9.493 5.174 ( 5.373 0.000 -0.306) 5.382 5.401 ( -0.585 0.000 3.862) 3.906 5.432 ( -5.928 0.000 -5.897) 8.362 5.438 ( 2.143 0.000 2.996) 3.684 5.615 ( -2.537 0.000 -0.733) 2.641 5.676 ( 1.664 0.000 0.973) 1.928 5.910 ( -0.079 0.000 -2.474) 2.476 6.067 ( -5.569 0.000 11.988) 13.218 6.311 ( -11.153 0.000 8.936) 14.291 6.340 ( 6.118 0.000 -3.589) 7.094 6.573 ( -1.571 0.000 -1.860) 2.435 6.584 ( -2.261 0.000 -3.631) 4.277 6.797 ( 5.799 0.000 -8.973) 10.684 6.932 ( 0.809 0.000 0.583) 0.997 7.216 ( -3.693 0.000 -3.787) 5.289 7.280 ( 0.870 0.000 -3.656) 3.758 7.347 ( -2.307 0.000 -7.882) 8.213 7.485 ( -2.367 0.000 1.180) 2.645 7.518 ( -11.235 0.000 7.822) 13.690 7.634 ( -1.430 0.000 8.026) 8.152 8.002 ( 3.523 0.000 -4.242) 5.514 8.107 ( -1.746 0.000 9.998) 10.149 8.251 ( 7.743 0.000 -2.821) 8.241 8.279 ( -0.230 0.000 -3.147) 3.156 8.475 ( -1.851 0.000 3.864) 4.284 8.596 ( -1.959 0.000 1.128) 2.261 8.669 ( 2.564 0.000 -4.585) 5.253 8.745 ( 0.477 0.000 -1.952) 2.010 9.021 ( -0.949 0.000 -5.127) 5.214 9.038 ( 3.448 0.000 1.952) 3.962 9.106 ( -0.720 0.000 1.663) 1.813 9.147 ( 0.359 0.000 1.581) 1.621 9.640 ( -5.462 0.000 -3.006) 6.234 9.661 ( -9.215 0.000 3.191) 9.752 10.125 ( 4.249 0.000 -1.031) 4.373 10.200 ( 1.241 0.000 1.407) 1.875 10.278 ( 5.014 0.000 0.289) 5.022 10.324 ( 9.093 0.000 -3.402) 9.709 10.578 ( 2.145 0.000 0.307) 2.167 10.650 ( 0.201 0.000 2.325) 2.333 10.840 ( -2.347 0.000 -4.116) 4.738 10.939 ( -7.981 0.000 4.825) 9.327 11.366 ( 8.125 0.000 -3.366) 8.794 11.410 ( 9.761 0.000 3.785) 10.470 11.551 ( -3.373 0.000 1.372) 3.641 11.648 ( -4.497 0.000 -2.822) 5.309 12.157 ( 2.228 0.000 -2.500) 3.349 12.440 ( 0.402 0.000 0.647) 0.762 12.587 ( -0.742 0.000 4.414) 4.476 13.005 ( -2.113 0.000 -9.635) 9.864 13.290 ( 1.593 0.000 -2.272) 2.775 13.439 ( -3.897 0.000 1.964) 4.364 13.459 ( -4.601 0.000 7.061) 8.428 13.600 ( -3.715 0.000 0.521) 3.752 13.635 ( 2.908 0.000 0.221) 2.917 13.772 ( -0.169 0.000 -1.745) 1.753 13.990 ( 2.854 0.000 1.611) 3.278 14.121 ( 6.025 0.000 -0.581) 6.053 15.600 ( 2.117 0.000 0.902) 2.301 15.699 ( 1.562 0.000 -0.974) 1.841 16.257 ( -3.001 0.000 0.231) 3.010 16.273 ( -2.700 0.000 -0.247) 2.711 20.663 ( -0.876 0.000 -0.669) 1.102 20.714 ( -1.015 0.000 0.323) 1.065 20.733 ( 0.539 0.000 -1.412) 1.511 20.851 ( -0.379 0.000 0.939) 1.012 21.201 ( 3.521 0.000 1.784) 3.948 21.401 ( 1.237 0.000 -2.421) 2.719 21.621 ( 2.406 0.000 -0.009) 2.406 21.688 ( 0.616 0.000 -0.473) 0.777 21.922 ( 3.693 0.000 0.521) 3.730 22.133 ( 0.441 0.000 2.876) 2.909 22.141 ( -0.664 0.000 -2.711) 2.791 22.209 ( -1.487 0.000 0.351) 1.528 22.538 ( -0.379 0.000 3.703) 3.722 22.751 ( -2.004 0.000 -3.687) 4.196 22.751 ( -0.768 0.000 2.189) 2.319 22.985 ( -2.442 0.000 0.219) 2.452 23.604 ( 0.006 0.000 0.699) 0.699 23.673 ( -2.445 0.000 -1.092) 2.678 23.699 ( -1.899 0.000 -2.421) 3.077 23.760 ( -0.910 0.000 1.568) 1.813 23.873 ( 0.382 0.000 -1.895) 1.933 23.905 ( -0.803 0.000 1.068) 1.336 24.175 ( 0.424 0.000 -1.204) 1.276 24.238 ( 3.479 0.000 1.303) 3.715 24.408 ( -0.700 0.000 -2.427) 2.526 24.412 ( -0.193 0.000 1.589) 1.601 24.757 ( 7.512 0.000 3.538) 8.303 24.884 ( 4.150 0.000 -2.939) 5.085 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 13.370 0.000 -1.974) 13.515 1.115 ( 5.097 0.000 3.644) 6.265 1.196 ( 6.713 0.000 0.194) 6.716 1.326 ( -6.240 0.000 -2.003) 6.554 1.419 ( -0.285 0.000 0.829) 0.877 1.424 ( 3.862 0.000 2.002) 4.350 1.557 ( 5.294 0.000 -1.026) 5.393 1.635 ( 0.635 0.000 3.686) 3.740 1.686 ( 12.750 0.000 -0.679) 12.768 1.804 ( -2.933 0.000 2.748) 4.019 1.924 ( -3.313 0.000 -1.702) 3.725 1.935 ( 0.573 0.000 0.069) 0.577 1.996 ( -4.161 0.000 -1.072) 4.297 2.196 ( 4.306 0.000 -8.260) 9.315 2.284 ( -0.776 0.000 -2.734) 2.842 2.313 ( 0.837 0.000 1.021) 1.321 2.488 ( -6.747 0.000 12.699) 14.380 2.724 ( 12.781 0.000 5.779) 14.027 2.724 ( 1.783 0.000 1.054) 2.071 2.792 ( 5.359 0.000 -13.603) 14.620 2.871 ( 3.836 0.000 6.978) 7.963 3.005 ( -1.178 0.000 -1.182) 1.669 3.128 ( 0.660 0.000 1.136) 1.314 3.155 ( 1.849 0.000 -3.569) 4.019 3.345 ( 1.230 0.000 -4.572) 4.734 3.407 ( -2.958 0.000 -4.726) 5.575 3.564 ( 7.398 0.000 3.858) 8.343 3.639 ( -0.279 0.000 -3.797) 3.807 3.811 ( -1.025 0.000 -4.750) 4.860 3.888 ( 0.751 0.000 4.982) 5.038 4.081 ( 4.161 0.000 -2.044) 4.636 4.124 ( 0.399 0.000 -1.014) 1.090 4.134 ( 0.502 0.000 0.540) 0.737 4.298 ( 2.713 0.000 0.746) 2.814 4.331 ( 0.325 0.000 -3.345) 3.361 4.397 ( 0.494 0.000 6.761) 6.779 4.508 ( -3.562 0.000 11.165) 11.719 4.567 ( -0.599 0.000 -6.938) 6.963 4.674 ( -1.451 0.000 2.514) 2.903 4.885 ( -2.959 0.000 8.184) 8.702 5.032 ( 7.562 0.000 -1.901) 7.797 5.194 ( 4.572 0.000 -12.617) 13.420 5.261 ( 4.470 0.000 -1.161) 4.619 5.285 ( -3.028 0.000 -6.466) 7.140 5.422 ( -0.023 0.000 0.724) 0.725 5.500 ( 2.708 0.000 1.848) 3.278 5.559 ( -4.228 0.000 3.459) 5.463 5.711 ( 1.451 0.000 0.704) 1.612 5.896 ( -0.342 0.000 -0.180) 0.386 6.008 ( -8.921 0.000 9.156) 12.783 6.157 ( -12.902 0.000 9.833) 16.222 6.429 ( 5.167 0.000 -1.718) 5.445 6.520 ( -1.788 0.000 -3.882) 4.274 6.539 ( -1.124 0.000 -0.655) 1.301 6.838 ( 6.960 0.000 -11.544) 13.480 6.951 ( 1.592 0.000 -1.229) 2.012 7.128 ( -2.950 0.000 -3.355) 4.467 7.234 ( -4.848 0.000 -4.915) 6.903 7.250 ( -0.856 0.000 -4.564) 4.644 7.399 ( -8.410 0.000 8.759) 12.143 7.458 ( -1.409 0.000 0.988) 1.721 7.668 ( -0.831 0.000 6.993) 7.042 8.036 ( 3.557 0.000 -4.013) 5.363 8.146 ( -2.362 0.000 10.461) 10.725 8.253 ( -0.058 0.000 -3.183) 3.184 8.366 ( 6.500 0.000 -1.221) 6.614 8.487 ( -0.339 0.000 5.576) 5.586 8.582 ( -0.685 0.000 2.116) 2.224 8.669 ( 1.892 0.000 -7.051) 7.300 8.745 ( 0.909 0.000 -2.352) 2.522 8.953 ( -2.445 0.000 -4.889) 5.467 9.096 ( 1.474 0.000 1.511) 2.111 9.105 ( -0.519 0.000 1.442) 1.532 9.165 ( 0.409 0.000 1.465) 1.521 9.532 ( -4.293 0.000 -2.736) 5.090 9.539 ( -6.548 0.000 2.804) 7.123 10.208 ( 6.325 0.000 -1.877) 6.598 10.255 ( 3.836 0.000 1.486) 4.114 10.371 ( 4.919 0.000 0.330) 4.930 10.448 ( 6.925 0.000 -2.619) 7.403 10.615 ( 1.455 0.000 0.354) 1.498 10.653 ( -1.677 0.000 1.775) 2.442 10.783 ( -1.316 0.000 -2.624) 2.935 10.822 ( -8.262 0.000 3.537) 8.987 11.484 ( 6.469 0.000 -1.347) 6.608 11.498 ( -3.267 0.000 1.297) 3.515 11.526 ( -4.350 0.000 -2.215) 4.882 11.625 ( 8.864 0.000 2.522) 9.216 12.185 ( 2.873 0.000 -2.843) 4.042 12.473 ( 1.391 0.000 4.152) 4.379 12.616 ( 0.197 0.000 4.632) 4.636 12.895 ( -1.836 0.000 -11.219) 11.368 13.295 ( 1.039 0.000 -2.741) 2.931 13.364 ( -4.667 0.000 0.043) 4.667 13.412 ( -5.140 0.000 4.906) 7.105 13.557 ( -2.106 0.000 1.728) 2.725 13.689 ( 2.295 0.000 0.666) 2.390 13.758 ( 0.051 0.000 -1.791) 1.791 14.046 ( 1.667 0.000 2.194) 2.755 14.209 ( 4.188 0.000 -0.626) 4.235 15.650 ( 2.629 0.000 0.829) 2.757 15.726 ( 2.261 0.000 -1.012) 2.477 16.198 ( -3.674 0.000 0.241) 3.681 16.217 ( -3.217 0.000 -0.270) 3.229 20.638 ( -1.201 0.000 -0.809) 1.449 20.694 ( -1.173 0.000 -0.090) 1.176 20.738 ( 0.399 0.000 0.528) 0.662 20.846 ( -0.660 0.000 0.223) 0.697 21.281 ( 3.800 0.000 1.516) 4.091 21.410 ( 1.430 0.000 -1.913) 2.389 21.663 ( 2.051 0.000 -0.014) 2.051 21.694 ( 0.367 0.000 -0.307) 0.478 22.003 ( 4.508 0.000 0.652) 4.555 22.116 ( -0.142 0.000 -2.097) 2.101 22.164 ( 0.712 0.000 2.897) 2.983 22.178 ( -1.502 0.000 -1.159) 1.897 22.566 ( 0.383 0.000 4.101) 4.119 22.684 ( -2.315 0.000 -3.714) 4.377 22.745 ( -1.265 0.000 1.294) 1.809 22.929 ( -3.470 0.000 -0.486) 3.504 23.585 ( -2.403 0.000 0.809) 2.536 23.644 ( -2.560 0.000 -1.011) 2.752 23.666 ( 2.215 0.000 -0.908) 2.394 23.753 ( -0.865 0.000 0.722) 1.127 23.873 ( 0.986 0.000 -1.356) 1.677 23.886 ( -2.028 0.000 0.857) 2.201 24.166 ( -0.488 0.000 -0.777) 0.917 24.290 ( 1.120 0.000 1.784) 2.106 24.379 ( -0.477 0.000 -2.691) 2.733 24.421 ( 0.104 0.000 1.069) 1.075 24.923 ( 7.781 0.000 2.918) 8.310 24.956 ( 5.872 0.000 -2.815) 6.512 ======================= Grid point 4 (5/88) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 2.945 0.000 -2.176) 3.662 1.154 ( -0.325 0.000 2.082) 2.107 1.204 ( -2.834 0.000 -0.691) 2.917 1.311 ( 4.401 0.000 -0.511) 4.431 1.462 ( 3.135 0.000 1.147) 3.339 1.488 ( 2.222 0.000 0.686) 2.326 1.604 ( 0.124 0.000 1.834) 1.838 1.726 ( 4.283 0.000 -1.530) 4.548 1.790 ( 0.310 0.000 2.016) 2.040 1.831 ( -4.342 0.000 0.374) 4.358 1.844 ( 2.886 0.000 1.087) 3.084 1.959 ( 3.544 0.000 -0.954) 3.670 1.973 ( 2.881 0.000 0.177) 2.887 2.199 ( 0.735 0.000 -3.751) 3.823 2.220 ( -4.010 0.000 -3.349) 5.224 2.320 ( 0.485 0.000 -2.471) 2.518 2.459 ( -4.801 0.000 9.171) 10.352 2.736 ( 2.115 0.000 -4.566) 5.032 2.790 ( -0.575 0.000 -2.271) 2.343 2.901 ( 4.386 0.000 0.039) 4.386 2.980 ( 0.419 0.000 -2.406) 2.442 3.088 ( 11.164 0.000 6.425) 12.880 3.144 ( 1.217 0.000 -5.685) 5.813 3.187 ( 3.920 0.000 2.745) 4.786 3.336 ( 1.999 0.000 -3.017) 3.619 3.355 ( -2.599 0.000 2.186) 3.396 3.657 ( 4.737 0.000 -3.184) 5.707 3.699 ( 4.587 0.000 1.749) 4.909 3.730 ( -5.046 0.000 -2.246) 5.523 3.966 ( 3.959 0.000 3.338) 5.178 4.125 ( -2.767 0.000 5.053) 5.760 4.129 ( 0.503 0.000 -2.524) 2.574 4.162 ( 5.371 0.000 0.450) 5.390 4.312 ( 0.022 0.000 -3.561) 3.561 4.316 ( 0.791 0.000 -5.459) 5.516 4.428 ( -2.678 0.000 5.135) 5.791 4.518 ( 0.502 0.000 -2.433) 2.484 4.522 ( -2.458 0.000 7.710) 8.093 4.653 ( -2.242 0.000 2.022) 3.019 4.866 ( -3.478 0.000 4.459) 5.655 5.117 ( -2.683 0.000 -6.469) 7.003 5.145 ( 5.931 0.000 -1.370) 6.087 5.255 ( 2.431 0.000 -8.559) 8.897 5.310 ( 2.133 0.000 -1.618) 2.677 5.399 ( -1.764 0.000 -0.971) 2.014 5.555 ( 3.008 0.000 -1.343) 3.294 5.560 ( 0.951 0.000 5.826) 5.903 5.730 ( 0.312 0.000 -0.216) 0.379 5.889 ( -3.929 0.000 7.778) 8.714 5.892 ( -8.635 0.000 4.117) 9.566 6.019 ( -6.363 0.000 2.809) 6.955 6.469 ( -1.042 0.000 -2.765) 2.955 6.486 ( 2.958 0.000 -3.014) 4.223 6.526 ( -1.289 0.000 2.909) 3.182 6.883 ( 6.580 0.000 -10.196) 12.135 6.970 ( 1.494 0.000 -1.632) 2.213 7.070 ( -1.420 0.000 -1.661) 2.185 7.121 ( -5.260 0.000 -0.182) 5.263 7.203 ( -1.140 0.000 -2.348) 2.611 7.334 ( -4.567 0.000 5.393) 7.067 7.447 ( -0.389 0.000 0.314) 0.500 7.699 ( -0.290 0.000 4.070) 4.080 8.069 ( 2.712 0.000 -3.011) 4.052 8.166 ( -2.200 0.000 6.939) 7.279 8.234 ( 0.016 0.000 -1.905) 1.905 8.462 ( 3.584 0.000 2.588) 4.421 8.536 ( 1.108 0.000 4.841) 4.966 8.598 ( 0.419 0.000 2.405) 2.442 8.636 ( 0.843 0.000 -8.641) 8.682 8.739 ( 0.326 0.000 -2.565) 2.586 8.878 ( -2.469 0.000 -2.838) 3.762 9.106 ( -0.606 0.000 1.824) 1.922 9.116 ( 0.357 0.000 -0.061) 0.362 9.184 ( 0.597 0.000 1.259) 1.393 9.449 ( -2.794 0.000 -2.096) 3.493 9.469 ( -3.116 0.000 1.749) 3.573 10.322 ( 7.386 0.000 -1.856) 7.616 10.354 ( 5.850 0.000 1.160) 5.963 10.450 ( 3.346 0.000 0.291) 3.359 10.522 ( 1.679 0.000 -0.738) 1.834 10.618 ( -1.853 0.000 -0.666) 1.969 10.630 ( 0.128 0.000 -0.229) 0.263 10.697 ( -7.781 0.000 2.738) 8.249 10.755 ( -0.688 0.000 -0.468) 0.832 11.431 ( -3.545 0.000 -1.743) 3.951 11.453 ( -2.278 0.000 1.271) 2.609 11.576 ( 4.025 0.000 -0.697) 4.085 11.788 ( 6.363 0.000 1.734) 6.595 12.213 ( 1.986 0.000 -1.879) 2.734 12.545 ( 1.937 0.000 7.327) 7.578 12.652 ( 0.564 0.000 2.916) 2.970 12.782 ( -1.817 0.000 -11.220) 11.367 13.290 ( -3.060 0.000 -0.390) 3.085 13.295 ( 1.222 0.000 -2.603) 2.875 13.354 ( -4.312 0.000 3.295) 5.426 13.539 ( -1.182 0.000 1.277) 1.740 13.724 ( 1.161 0.000 0.390) 1.225 13.750 ( 0.132 0.000 -1.117) 1.125 14.078 ( 0.508 0.000 1.418) 1.506 14.262 ( 2.098 0.000 -0.338) 2.125 15.699 ( 2.040 0.000 0.503) 2.101 15.761 ( 2.057 0.000 -0.662) 2.161 16.137 ( -2.908 0.000 0.179) 2.914 16.162 ( -2.411 0.000 -0.181) 2.418 20.613 ( -0.896 0.000 -0.587) 1.071 20.674 ( -0.791 0.000 -0.243) 0.827 20.753 ( 0.452 0.000 1.185) 1.268 20.831 ( -0.752 0.000 -0.591) 0.956 21.350 ( 2.581 0.000 1.018) 2.774 21.422 ( 0.956 0.000 -0.943) 1.343 21.691 ( 1.058 0.000 -0.004) 1.058 21.698 ( 0.220 0.000 -0.084) 0.236 22.078 ( 3.084 0.000 0.443) 3.116 22.106 ( 0.125 0.000 -0.740) 0.750 22.144 ( -1.046 0.000 -1.430) 1.771 22.197 ( 0.819 0.000 1.926) 2.093 22.605 ( 0.916 0.000 3.093) 3.226 22.624 ( -1.630 0.000 -2.349) 2.859 22.726 ( -1.366 0.000 0.198) 1.380 22.865 ( -2.813 0.000 -0.677) 2.893 23.555 ( -1.310 0.000 0.435) 1.381 23.600 ( -1.580 0.000 -0.528) 1.666 23.709 ( 2.595 0.000 -0.424) 2.630 23.740 ( -0.881 0.000 0.303) 0.932 23.850 ( -2.269 0.000 0.460) 2.316 23.886 ( 1.010 0.000 -0.680) 1.217 24.151 ( -0.573 0.000 -0.355) 0.674 24.312 ( 0.043 0.000 2.041) 2.041 24.352 ( -0.344 0.000 -2.572) 2.594 24.429 ( 0.126 0.000 0.579) 0.592 25.036 ( 4.200 0.000 -1.602) 4.496 25.056 ( 4.829 0.000 1.627) 5.096 ======================= Grid point 5 (6/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.003 0.000 0.002) 0.004 1.158 ( 0.001 0.000 0.000) 0.001 1.204 ( 0.000 0.000 0.001) 0.001 1.346 ( 0.001 0.000 -0.001) 0.002 1.507 ( 0.003 0.000 0.001) 0.004 1.511 ( 0.001 0.000 -0.000) 0.001 1.611 ( 0.000 0.000 -0.002) 0.002 1.718 ( -0.002 0.000 0.002) 0.003 1.811 ( 0.011 0.000 -0.001) 0.011 1.814 ( 0.000 0.000 -0.001) 0.002 1.848 ( 0.001 0.000 0.001) 0.002 2.010 ( 0.003 0.000 0.004) 0.005 2.091 ( 0.336 0.000 0.117) 0.356 2.097 ( -0.326 0.000 -0.119) 0.347 2.185 ( 0.002 0.000 -0.001) 0.002 2.310 ( 0.001 0.000 -0.000) 0.001 2.449 ( 0.002 0.000 -0.001) 0.002 2.753 ( -0.498 0.000 0.643) 0.813 2.754 ( 0.510 0.000 -0.649) 0.825 2.936 ( 0.010 0.000 -0.002) 0.011 2.979 ( 0.002 0.000 0.001) 0.002 3.133 ( 0.019 0.000 -0.007) 0.020 3.207 ( 0.001 0.000 0.001) 0.002 3.254 ( 0.007 0.000 0.006) 0.009 3.338 ( -0.000 0.000 0.000) 0.000 3.374 ( 0.003 0.000 0.000) 0.003 3.650 ( 0.004 0.000 0.005) 0.006 3.706 ( 0.003 0.000 0.002) 0.003 3.746 ( 0.002 0.000 -0.002) 0.002 4.027 ( -0.007 0.000 0.015) 0.017 4.116 ( 0.025 0.000 -0.068) 0.072 4.120 ( -0.003 0.000 0.057) 0.057 4.253 ( 0.013 0.000 0.002) 0.014 4.269 ( -0.002 0.000 -0.005) 0.006 4.282 ( -0.003 0.000 -0.004) 0.005 4.413 ( 0.001 0.000 0.015) 0.015 4.526 ( 0.011 0.000 -0.011) 0.016 4.527 ( 0.002 0.000 -0.003) 0.004 4.637 ( 0.001 0.000 0.011) 0.011 4.847 ( 0.002 0.000 -0.004) 0.005 5.064 ( 0.002 0.000 -0.002) 0.003 5.200 ( 0.001 0.000 -0.001) 0.002 5.236 ( 0.000 0.000 0.002) 0.002 5.322 ( 0.001 0.000 -0.001) 0.002 5.379 ( 0.007 0.000 -0.002) 0.008 5.579 ( 0.002 0.000 -0.002) 0.002 5.615 ( 0.003 0.000 0.000) 0.003 5.726 ( 0.000 0.000 -0.000) 0.000 5.807 ( -0.002 0.000 0.002) 0.003 5.874 ( 0.001 0.000 0.001) 0.001 5.979 ( 0.004 0.000 0.000) 0.004 6.449 ( 0.000 0.000 -0.000) 0.000 6.500 ( -0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.002 0.000 -0.000) 0.002 6.978 ( 0.000 0.000 0.000) 0.001 7.052 ( 0.002 0.000 -0.002) 0.003 7.066 ( 0.004 0.000 0.001) 0.004 7.184 ( 0.001 0.000 0.000) 0.001 7.312 ( -0.000 0.000 0.001) 0.001 7.446 ( 0.000 0.000 -0.000) 0.001 7.711 ( -0.000 0.000 0.001) 0.001 8.084 ( 0.002 0.000 -0.002) 0.003 8.170 ( -0.000 0.000 0.002) 0.002 8.227 ( 0.000 0.000 0.000) 0.000 8.516 ( 0.003 0.000 -0.002) 0.003 8.567 ( 0.000 0.000 -0.002) 0.002 8.601 ( -0.000 0.000 0.002) 0.002 8.615 ( 0.001 0.000 -0.001) 0.001 8.729 ( 0.000 0.000 0.001) 0.001 8.842 ( 0.002 0.000 -0.000) 0.002 9.108 ( 0.001 0.000 -0.000) 0.001 9.117 ( 0.000 0.000 -0.000) 0.001 9.196 ( 0.002 0.000 -0.000) 0.002 9.414 ( 0.000 0.000 0.000) 0.000 9.448 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 10.457 ( -0.001 0.000 -0.000) 0.001 10.481 ( 0.002 0.000 0.000) 0.002 10.483 ( 0.001 0.000 -0.000) 0.001 10.608 ( 0.000 0.000 0.000) 0.000 10.609 ( 0.000 0.000 -0.000) 0.000 10.635 ( -0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.001 11.391 ( 0.003 0.000 0.001) 0.003 11.437 ( 0.002 0.000 -0.001) 0.002 11.611 ( 0.000 0.000 0.000) 0.000 11.854 ( 0.000 0.000 -0.000) 0.000 12.225 ( 0.001 0.000 -0.000) 0.001 12.618 ( 0.001 0.000 0.001) 0.001 12.668 ( 0.000 0.000 0.001) 0.001 12.696 ( 0.000 0.000 -0.001) 0.001 13.260 ( 0.000 0.000 -0.000) 0.000 13.304 ( 0.010 0.000 -0.007) 0.013 13.317 ( -0.009 0.000 0.007) 0.011 13.533 ( 0.000 0.000 0.000) 0.000 13.736 ( 0.003 0.000 -0.000) 0.003 13.747 ( 0.001 0.000 -0.001) 0.001 14.087 ( 0.001 0.000 0.001) 0.001 14.280 ( 0.000 0.000 -0.000) 0.000 15.720 ( 0.000 0.000 -0.000) 0.000 15.780 ( -0.000 0.000 0.000) 0.000 16.109 ( 0.000 0.000 -0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 20.602 ( 0.000 0.000 0.000) 0.001 20.666 ( 0.001 0.000 -0.000) 0.001 20.763 ( 0.001 0.000 -0.002) 0.002 20.819 ( 0.001 0.000 0.002) 0.002 21.378 ( 0.000 0.000 0.001) 0.001 21.428 ( 0.001 0.000 -0.001) 0.001 21.700 ( 0.001 0.000 0.000) 0.001 21.700 ( 0.000 0.000 -0.000) 0.000 22.106 ( 0.002 0.000 -0.002) 0.003 22.109 ( 0.000 0.000 0.000) 0.000 22.128 ( -0.000 0.000 0.002) 0.002 22.213 ( 0.002 0.000 -0.000) 0.002 22.600 ( 0.000 0.000 -0.000) 0.000 22.629 ( -0.000 0.000 -0.000) 0.000 22.710 ( 0.001 0.000 0.001) 0.001 22.834 ( -0.000 0.000 -0.000) 0.000 23.545 ( 0.001 0.000 0.000) 0.001 23.584 ( 0.001 0.000 -0.000) 0.001 23.732 ( 0.000 0.000 -0.000) 0.000 23.736 ( 0.001 0.000 -0.000) 0.001 23.826 ( 0.000 0.000 -0.000) 0.000 23.893 ( 0.000 0.000 -0.000) 0.000 24.144 ( 0.000 0.000 -0.000) 0.000 24.324 ( 0.000 0.000 0.003) 0.003 24.334 ( 0.001 0.000 -0.003) 0.003 24.433 ( 0.000 0.000 0.000) 0.000 25.070 ( 0.001 0.000 -0.000) 0.001 25.107 ( 0.001 0.000 0.000) 0.001 ======================= Grid point 11 (7/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( 0.000 15.529 0.000) 15.529 0.454 ( 0.000 21.824 0.000) 21.824 0.703 ( 0.000 31.121 0.000) 31.121 1.199 ( 0.000 7.990 0.000) 7.990 1.345 ( 0.000 2.137 0.000) 2.137 1.406 ( 0.000 0.238 0.000) 0.238 1.525 ( 0.000 -1.720 0.000) 1.720 1.658 ( 0.000 -16.416 0.000) 16.416 1.728 ( 0.000 -7.413 0.000) 7.413 1.789 ( 0.000 10.051 0.000) 10.051 1.924 ( 0.000 -2.115 0.000) 2.115 1.950 ( 0.000 -3.627 0.000) 3.627 1.982 ( 0.000 1.108 0.000) 1.108 2.116 ( 0.000 0.914 0.000) 0.914 2.198 ( 0.000 -4.867 0.000) 4.867 2.304 ( 0.000 3.292 0.000) 3.292 2.434 ( 0.000 1.909 0.000) 1.909 2.606 ( 0.000 -6.280 0.000) 6.280 2.667 ( 0.000 -5.101 0.000) 5.101 2.790 ( 0.000 3.111 0.000) 3.111 2.820 ( 0.000 4.169 0.000) 4.169 2.936 ( 0.000 4.539 0.000) 4.539 3.032 ( 0.000 -6.399 0.000) 6.399 3.103 ( 0.000 5.670 0.000) 5.670 3.430 ( 0.000 8.865 0.000) 8.865 3.503 ( 0.000 0.764 0.000) 0.764 3.595 ( 0.000 1.011 0.000) 1.011 3.733 ( 0.000 1.236 0.000) 1.236 3.799 ( 0.000 7.383 0.000) 7.383 3.867 ( 0.000 -11.066 0.000) 11.066 3.970 ( 0.000 -3.679 0.000) 3.679 4.000 ( 0.000 -5.235 0.000) 5.235 4.068 ( 0.000 -11.032 0.000) 11.032 4.136 ( 0.000 -3.734 0.000) 3.734 4.213 ( 0.000 -4.976 0.000) 4.976 4.397 ( 0.000 3.541 0.000) 3.541 4.454 ( 0.000 -2.555 0.000) 2.555 4.562 ( 0.000 2.461 0.000) 2.461 4.616 ( 0.000 8.747 0.000) 8.747 4.685 ( 0.000 -10.702 0.000) 10.702 4.894 ( 0.000 2.354 0.000) 2.354 5.035 ( 0.000 -10.133 0.000) 10.133 5.082 ( 0.000 2.443 0.000) 2.443 5.209 ( 0.000 4.636 0.000) 4.636 5.552 ( 0.000 0.133 0.000) 0.133 5.592 ( 0.000 4.423 0.000) 4.423 5.709 ( 0.000 -4.731 0.000) 4.731 5.741 ( 0.000 10.367 0.000) 10.367 5.959 ( 0.000 0.563 0.000) 0.563 6.098 ( 0.000 11.022 0.000) 11.022 6.190 ( 0.000 -3.851 0.000) 3.851 6.504 ( 0.000 2.337 0.000) 2.337 6.584 ( 0.000 -4.041 0.000) 4.041 6.759 ( 0.000 6.921 0.000) 6.921 6.779 ( 0.000 3.387 0.000) 3.387 6.921 ( 0.000 0.908 0.000) 0.908 7.283 ( 0.000 -2.816 0.000) 2.816 7.338 ( 0.000 -1.094 0.000) 1.094 7.367 ( 0.000 -13.375 0.000) 13.375 7.402 ( 0.000 -4.018 0.000) 4.018 7.528 ( 0.000 -3.603 0.000) 3.603 7.745 ( 0.000 -1.453 0.000) 1.453 7.940 ( 0.000 -10.190 0.000) 10.190 7.988 ( 0.000 3.214 0.000) 3.214 8.077 ( 0.000 -1.175 0.000) 1.175 8.258 ( 0.000 -4.679 0.000) 4.679 8.425 ( 0.000 -13.108 0.000) 13.108 8.475 ( 0.000 -2.226 0.000) 2.226 8.635 ( 0.000 -15.498 0.000) 15.498 8.695 ( 0.000 0.561 0.000) 0.561 8.806 ( 0.000 -3.432 0.000) 3.432 9.050 ( 0.000 -3.414 0.000) 3.414 9.205 ( 0.000 8.628 0.000) 8.628 9.236 ( 0.000 6.565 0.000) 6.565 9.875 ( 0.000 2.724 0.000) 2.724 9.915 ( 0.000 -2.245 0.000) 2.245 10.021 ( 0.000 0.305 0.000) 0.305 10.092 ( 0.000 0.581 0.000) 0.581 10.332 ( 0.000 10.410 0.000) 10.410 10.388 ( 0.000 14.798 0.000) 14.798 10.555 ( 0.000 2.715 0.000) 2.715 10.631 ( 0.000 1.683 0.000) 1.683 11.030 ( 0.000 -0.350 0.000) 0.350 11.138 ( 0.000 -0.069 0.000) 0.069 11.216 ( 0.000 12.157 0.000) 12.157 11.254 ( 0.000 10.015 0.000) 10.015 11.596 ( 0.000 0.076 0.000) 0.076 11.865 ( 0.000 11.035 0.000) 11.035 12.176 ( 0.000 2.970 0.000) 2.970 12.373 ( 0.000 -2.047 0.000) 2.047 12.576 ( 0.000 -0.827 0.000) 0.827 13.158 ( 0.000 0.092 0.000) 0.092 13.186 ( 0.000 -5.671 0.000) 5.671 13.424 ( 0.000 0.309 0.000) 0.309 13.475 ( 0.000 -2.318 0.000) 2.318 13.530 ( 0.000 -1.020 0.000) 1.020 13.718 ( 0.000 -4.495 0.000) 4.495 13.747 ( 0.000 -4.631 0.000) 4.631 13.820 ( 0.000 -0.810 0.000) 0.810 13.849 ( 0.000 -4.974 0.000) 4.974 15.570 ( 0.000 1.892 0.000) 1.892 15.692 ( 0.000 0.014 0.000) 0.014 16.304 ( 0.000 -0.764 0.000) 0.764 16.316 ( 0.000 -0.980 0.000) 0.980 20.691 ( 0.000 0.969 0.000) 0.969 20.744 ( 0.000 2.919 0.000) 2.919 20.767 ( 0.000 -0.246 0.000) 0.246 20.850 ( 0.000 0.159 0.000) 0.159 21.032 ( 0.000 -0.988 0.000) 0.988 21.374 ( 0.000 -6.403 0.000) 6.403 21.600 ( 0.000 1.671 0.000) 1.671 21.659 ( 0.000 -0.969 0.000) 0.969 21.882 ( 0.000 2.142 0.000) 2.142 22.120 ( 0.000 -0.221 0.000) 0.221 22.176 ( 0.000 -0.599 0.000) 0.599 22.203 ( 0.000 0.918 0.000) 0.918 22.538 ( 0.000 1.092 0.000) 1.092 22.708 ( 0.000 -2.013 0.000) 2.013 22.838 ( 0.000 1.616 0.000) 1.616 23.032 ( 0.000 -1.544 0.000) 1.544 23.600 ( 0.000 2.541 0.000) 2.541 23.658 ( 0.000 4.682 0.000) 4.682 23.764 ( 0.000 -0.109 0.000) 0.109 23.782 ( 0.000 1.047 0.000) 1.047 23.891 ( 0.000 0.406 0.000) 0.406 23.917 ( 0.000 0.312 0.000) 0.312 24.090 ( 0.000 -2.570 0.000) 2.570 24.129 ( 0.000 -2.959 0.000) 2.959 24.312 ( 0.000 0.208 0.000) 0.208 24.477 ( 0.000 2.840 0.000) 2.840 24.547 ( 0.000 -2.784 0.000) 2.784 24.821 ( 0.000 -2.979 0.000) 2.979 ======================= Grid point 12 (8/88) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 15.449 11.296 3.605) 19.475 0.621 ( 13.803 13.033 6.657) 20.117 0.884 ( 17.554 20.090 2.271) 26.775 1.214 ( 0.903 7.250 2.173) 7.623 1.297 ( 0.037 -0.282 -6.129) 6.135 1.443 ( 2.215 2.509 -1.295) 3.589 1.514 ( -0.623 -2.219 -1.087) 2.548 1.632 ( -3.300 -9.483 1.890) 10.217 1.739 ( 1.210 1.936 -1.376) 2.665 1.791 ( -0.374 -0.813 2.851) 2.988 1.885 ( -2.215 -2.284 0.876) 3.300 1.953 ( -2.525 -0.577 4.722) 5.386 2.013 ( 2.105 -0.502 -0.164) 2.170 2.182 ( 4.618 -0.272 0.085) 4.626 2.241 ( 2.785 -7.415 1.527) 8.067 2.283 ( 0.976 2.961 -2.854) 4.226 2.402 ( -3.588 3.613 1.590) 5.334 2.546 ( -5.613 -5.062 4.775) 8.941 2.690 ( 0.409 3.194 -2.839) 4.293 2.741 ( 1.866 -3.372 -3.289) 5.067 2.901 ( 3.783 2.053 -2.746) 5.105 2.957 ( 2.699 3.308 0.861) 4.355 3.042 ( 1.182 -6.049 -1.134) 6.266 3.117 ( 1.025 4.585 0.718) 4.753 3.412 ( -6.156 5.001 5.421) 9.607 3.431 ( 0.339 6.886 -1.431) 7.041 3.642 ( 1.536 -2.225 -7.847) 8.300 3.741 ( 1.953 -0.818 -6.029) 6.390 3.785 ( 2.454 0.636 1.615) 3.006 3.885 ( -2.682 0.960 5.121) 5.860 3.922 ( -2.004 -10.049 -1.912) 10.424 4.033 ( 0.834 -7.018 -0.675) 7.099 4.082 ( 1.928 -5.865 1.970) 6.481 4.154 ( 1.315 -2.856 2.182) 3.827 4.227 ( 2.438 -4.336 -1.019) 5.077 4.371 ( -4.246 1.853 5.989) 7.572 4.465 ( -0.391 -2.210 1.419) 2.656 4.579 ( 3.492 0.926 -4.028) 5.411 4.650 ( 3.505 4.545 -2.981) 6.468 4.719 ( 3.002 -6.358 2.731) 7.543 4.887 ( -1.009 0.092 1.865) 2.123 5.024 ( 0.251 -6.188 0.584) 6.221 5.147 ( 5.385 -1.194 -1.059) 5.617 5.213 ( 1.078 5.357 -1.411) 5.643 5.525 ( -2.961 -0.210 -0.561) 3.021 5.603 ( 0.810 4.610 0.989) 4.784 5.690 ( 1.041 1.259 -4.457) 4.747 5.777 ( 2.726 6.174 -0.214) 6.752 5.913 ( -3.597 1.927 -0.464) 4.107 6.082 ( -7.378 1.519 12.230) 14.364 6.240 ( 6.488 1.964 -4.448) 8.108 6.484 ( -2.548 3.133 1.308) 4.245 6.557 ( -2.267 -3.387 -1.150) 4.234 6.738 ( -0.367 6.979 -3.358) 7.754 6.793 ( 0.440 2.716 1.154) 2.984 6.938 ( 2.088 1.962 -0.988) 3.031 7.261 ( -0.583 -3.309 -4.297) 5.455 7.303 ( -1.936 -3.194 -3.114) 4.863 7.376 ( -1.507 -10.342 4.422) 11.348 7.387 ( 0.408 -2.308 -4.907) 5.438 7.535 ( -1.112 -4.581 4.403) 6.450 7.653 ( -9.288 -1.332 4.075) 10.229 7.977 ( 0.675 -3.889 1.017) 4.076 8.026 ( 6.707 -3.847 -5.259) 9.351 8.092 ( -0.369 -1.321 5.586) 5.752 8.252 ( 0.716 -4.454 -3.078) 5.461 8.421 ( -1.095 -12.947 1.777) 13.114 8.462 ( -1.732 -2.513 1.204) 3.281 8.620 ( 0.089 -13.705 -3.272) 14.090 8.710 ( 1.039 1.127 0.818) 1.737 8.820 ( 1.518 -5.947 -0.819) 6.192 9.057 ( 0.732 -2.789 0.192) 2.890 9.183 ( -1.010 7.532 -1.681) 7.783 9.257 ( 1.151 7.089 1.041) 7.256 9.744 ( -8.230 -0.187 0.125) 8.233 9.870 ( -7.981 2.890 0.826) 8.529 10.085 ( 7.730 -2.574 -0.266) 8.152 10.188 ( 6.699 3.530 -1.345) 7.691 10.332 ( 0.839 9.135 -0.608) 9.194 10.377 ( -0.556 15.474 -0.489) 15.492 10.556 ( 0.383 1.894 -0.237) 1.947 10.651 ( 1.465 2.259 1.248) 2.968 10.996 ( -1.619 3.726 -3.382) 5.286 11.099 ( -5.448 3.378 4.753) 7.980 11.280 ( 5.489 7.397 1.483) 9.330 11.303 ( 5.588 6.465 -2.354) 8.863 11.589 ( -1.106 0.844 0.833) 1.621 11.845 ( -1.577 11.662 -1.567) 11.872 12.183 ( 1.142 3.395 -1.052) 3.734 12.375 ( 0.090 -3.256 0.399) 3.282 12.576 ( -0.743 -0.610 2.325) 2.516 13.105 ( -1.977 0.636 -7.709) 7.984 13.190 ( 0.261 -7.317 0.253) 7.326 13.436 ( -0.635 -0.821 2.099) 2.342 13.483 ( -1.249 -1.337 5.249) 5.559 13.560 ( 2.906 -1.138 0.019) 3.121 13.641 ( -6.149 -4.793 -0.410) 7.807 13.771 ( 1.089 -2.703 -2.851) 4.077 13.797 ( 1.444 -4.885 3.332) 6.087 13.956 ( 6.881 -4.444 0.038) 8.191 15.582 ( 1.146 1.800 0.456) 2.182 15.695 ( 0.661 0.283 -0.566) 0.915 16.289 ( -1.700 -0.842 0.105) 1.900 16.304 ( -1.350 -0.832 -0.076) 1.587 20.688 ( -0.358 0.985 -0.134) 1.056 20.723 ( -1.719 1.607 0.592) 2.427 20.769 ( 0.365 0.816 -1.332) 1.604 20.852 ( -0.057 0.268 0.789) 0.835 21.077 ( 3.640 -1.780 1.810) 4.437 21.373 ( 0.585 -5.108 -1.438) 5.338 21.605 ( 1.216 1.411 -1.056) 2.141 21.668 ( 0.906 -0.877 -0.134) 1.268 21.898 ( 1.524 2.304 0.625) 2.833 22.120 ( 0.051 0.132 0.229) 0.269 22.168 ( -0.428 -0.268 -1.203) 1.304 22.203 ( -0.474 -0.459 0.535) 0.849 22.539 ( -0.545 1.165 1.998) 2.376 22.716 ( -0.029 -2.068 1.848) 2.774 22.819 ( -1.231 1.582 -2.070) 2.882 23.016 ( -1.619 -1.215 -0.096) 2.026 23.616 ( 0.714 1.691 0.216) 1.848 23.677 ( 2.628 2.968 -1.174) 4.135 23.747 ( -1.931 0.384 -0.156) 1.975 23.775 ( -1.378 1.330 1.525) 2.448 23.885 ( -0.083 0.286 -1.292) 1.326 23.910 ( -0.537 0.221 0.664) 0.882 24.126 ( 2.324 -2.850 0.059) 3.678 24.143 ( 2.559 -2.669 -0.054) 3.698 24.326 ( 0.785 -1.015 1.344) 1.858 24.471 ( -0.207 2.767 -0.973) 2.940 24.580 ( 3.028 -3.229 2.020) 4.866 24.824 ( 1.194 -3.065 -1.733) 3.718 ======================= Grid point 13 (9/88) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 13.602 10.050 0.596) 16.922 0.925 ( 14.040 6.106 4.858) 16.062 1.154 ( 4.147 2.896 2.285) 5.550 1.286 ( 2.988 -0.145 -3.633) 4.706 1.328 ( 10.852 4.232 2.681) 11.952 1.453 ( 0.462 0.210 -2.928) 2.971 1.507 ( 1.538 -0.715 -1.079) 2.010 1.568 ( -3.901 2.279 2.009) 4.945 1.759 ( 1.972 7.434 0.047) 7.691 1.791 ( -2.059 -5.046 2.940) 6.192 1.892 ( 1.646 -3.958 -0.511) 4.317 1.927 ( -2.475 2.205 2.936) 4.428 2.045 ( 1.558 -0.539 -1.030) 1.944 2.156 ( -3.159 -1.553 -1.610) 3.871 2.333 ( 5.158 0.581 -3.945) 6.519 2.352 ( -1.909 2.458 1.479) 3.446 2.373 ( 7.658 -2.839 4.156) 9.163 2.499 ( -5.338 -2.503 9.175) 10.906 2.710 ( 6.474 3.451 -6.284) 9.660 2.773 ( 1.766 -2.462 2.089) 3.680 2.892 ( -0.069 3.626 -5.681) 6.740 2.996 ( -0.397 -2.067 -0.607) 2.191 3.070 ( 2.854 -3.800 -0.861) 4.830 3.132 ( -0.111 1.919 1.066) 2.198 3.391 ( 0.958 4.839 0.442) 4.953 3.465 ( 2.520 5.546 2.118) 6.449 3.530 ( -3.933 -0.578 -8.157) 9.074 3.767 ( 2.856 -2.090 -1.731) 3.940 3.808 ( 0.609 2.373 -7.081) 7.493 3.868 ( -2.429 0.177 5.158) 5.704 3.893 ( 1.213 -11.464 -2.289) 11.753 4.052 ( 1.172 -7.145 3.242) 7.933 4.126 ( 1.090 -2.323 1.031) 2.766 4.206 ( 2.962 -2.329 0.237) 3.775 4.280 ( 2.725 -2.348 0.879) 3.703 4.355 ( -1.677 -0.434 5.569) 5.833 4.461 ( -1.649 -2.887 3.310) 4.692 4.602 ( 1.479 1.071 -3.631) 4.064 4.667 ( 0.158 -2.348 -0.723) 2.462 4.817 ( 2.943 -1.906 6.241) 7.159 4.901 ( 2.562 -4.672 -1.557) 5.551 5.054 ( 2.059 -4.496 1.227) 5.095 5.220 ( 2.995 1.590 -0.287) 3.403 5.243 ( 5.437 2.595 -6.409) 8.796 5.443 ( -4.781 1.183 -1.879) 5.272 5.632 ( 1.433 5.339 1.296) 5.678 5.688 ( 1.702 2.383 -3.598) 4.639 5.813 ( 0.111 11.452 -0.121) 11.453 5.858 ( -1.045 -2.877 -0.167) 3.065 6.006 ( -10.288 -3.827 11.457) 15.866 6.305 ( -1.673 2.901 5.344) 6.306 6.457 ( 1.657 5.421 -2.732) 6.293 6.501 ( -2.390 -2.461 -1.984) 3.963 6.704 ( -0.270 7.728 -4.428) 8.911 6.806 ( 0.393 0.927 0.413) 1.088 6.971 ( 2.911 3.479 -2.836) 5.349 7.198 ( -2.698 -2.222 -4.843) 5.972 7.248 ( -0.428 -5.070 -5.831) 7.739 7.336 ( -2.262 -1.701 -4.255) 5.111 7.376 ( -2.001 -6.827 3.767) 8.050 7.519 ( -8.590 0.732 6.061) 10.538 7.554 ( -0.741 -5.930 5.229) 7.941 7.990 ( 1.385 -2.903 -1.716) 3.646 8.096 ( 2.032 -5.113 1.593) 5.728 8.140 ( 0.534 -5.047 5.753) 7.672 8.252 ( 3.393 -3.663 -6.043) 7.839 8.416 ( -1.298 -12.249 3.341) 12.763 8.441 ( -1.609 -2.757 2.224) 3.891 8.601 ( 0.717 -12.465 -3.976) 13.104 8.734 ( 1.124 3.005 -0.480) 3.244 8.834 ( 0.985 -9.701 -2.054) 9.965 9.076 ( 0.834 -1.971 0.785) 2.280 9.156 ( -0.465 7.196 -1.642) 7.395 9.281 ( 0.744 6.740 0.615) 6.809 9.610 ( -6.768 -0.013 0.506) 6.787 9.726 ( -7.926 2.784 0.120) 8.402 10.216 ( 5.800 1.788 1.321) 6.212 10.268 ( 4.680 5.369 -2.717) 7.623 10.375 ( 0.956 14.516 -0.448) 14.555 10.385 ( 5.351 3.732 -0.693) 6.560 10.568 ( 0.939 0.609 -0.086) 1.123 10.687 ( 0.945 2.961 1.616) 3.503 10.943 ( -1.278 7.102 -3.619) 8.073 11.022 ( -6.776 6.162 4.557) 10.230 11.389 ( 6.967 2.765 -3.426) 8.241 11.421 ( 6.718 2.693 3.464) 8.024 11.570 ( -1.768 3.066 1.457) 3.827 11.793 ( -2.461 13.546 -2.065) 13.922 12.199 ( 1.882 3.834 -2.366) 4.883 12.389 ( 0.816 -3.956 1.983) 4.500 12.587 ( -0.426 -0.241 3.947) 3.977 13.001 ( -2.336 -0.262 -9.966) 10.239 13.192 ( -0.327 -8.420 0.294) 8.431 13.419 ( -2.423 -2.097 0.789) 3.300 13.481 ( -3.442 1.326 3.138) 4.842 13.542 ( -3.812 -5.302 1.387) 6.675 13.618 ( 2.902 -1.535 0.642) 3.345 13.764 ( 0.726 -0.560 -2.722) 2.872 13.871 ( 2.700 -8.419 4.190) 9.784 14.071 ( 5.787 -4.764 -0.352) 7.504 15.616 ( 2.127 1.623 0.682) 2.761 15.710 ( 1.543 0.648 -0.879) 1.890 16.247 ( -2.979 -0.897 0.117) 3.114 16.267 ( -2.634 -0.628 -0.116) 2.710 20.673 ( -0.948 0.964 -0.765) 1.553 20.702 ( -1.407 0.350 1.076) 1.806 20.763 ( -0.042 1.396 -0.750) 1.586 20.857 ( -0.298 0.417 1.146) 1.256 21.167 ( 4.641 -1.873 1.679) 5.278 21.377 ( 1.257 -3.322 -2.096) 4.124 21.631 ( 2.310 0.838 -0.756) 2.571 21.684 ( 1.027 -0.436 -0.378) 1.178 21.946 ( 3.186 2.175 0.879) 3.957 22.126 ( 0.446 -0.159 -0.355) 0.592 22.148 ( -0.695 0.050 -0.623) 0.935 22.190 ( -1.033 -1.404 -0.096) 1.745 22.551 ( -0.373 1.244 3.649) 3.874 22.724 ( -0.716 -1.768 1.471) 2.409 22.769 ( -2.092 1.236 -2.666) 3.607 22.973 ( -2.924 -1.579 -0.530) 3.365 23.626 ( 0.379 2.203 0.211) 2.245 23.686 ( -1.476 1.548 -1.520) 2.624 23.724 ( 0.416 3.024 -0.883) 3.178 23.758 ( -1.487 1.042 2.197) 2.850 23.875 ( 0.261 0.330 -1.509) 1.567 23.906 ( -0.817 -0.036 0.958) 1.259 24.147 ( 0.804 -2.642 -0.790) 2.872 24.216 ( 3.764 -2.432 1.081) 4.610 24.349 ( 0.746 -1.602 0.804) 1.941 24.457 ( -0.369 2.602 -1.313) 2.938 24.687 ( 6.487 -5.124 3.508) 8.980 24.847 ( 3.341 -3.757 -2.895) 5.802 ======================= Grid point 14 (10/88) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 10.509 5.611 -1.066) 11.960 1.158 ( 6.568 4.025 3.743) 8.565 1.187 ( 1.046 -0.627 1.736) 2.122 1.289 ( -2.002 -3.212 -2.738) 4.672 1.378 ( -1.689 -2.355 0.742) 2.991 1.473 ( 2.808 3.142 -0.286) 4.223 1.569 ( 2.514 0.810 -0.699) 2.732 1.618 ( 7.450 1.962 0.509) 7.720 1.774 ( -1.267 -1.313 3.233) 3.713 1.820 ( 3.924 5.215 -0.151) 6.528 1.884 ( -2.669 1.960 2.976) 4.452 1.921 ( -0.128 -3.277 -2.492) 4.119 2.021 ( -1.588 2.141 -1.905) 3.277 2.151 ( 4.192 -0.708 -3.248) 5.350 2.313 ( -1.927 0.928 -0.272) 2.155 2.367 ( 1.601 4.651 -3.501) 6.037 2.461 ( -6.240 -2.034 9.863) 11.847 2.602 ( 10.861 -4.622 3.367) 12.275 2.799 ( 5.932 -1.633 -6.898) 9.243 2.830 ( 2.412 5.999 -3.699) 7.449 2.883 ( 5.207 0.605 4.421) 6.857 2.973 ( 0.358 -4.481 -2.599) 5.192 3.085 ( -0.428 -0.096 -0.220) 0.490 3.155 ( 2.062 0.285 0.632) 2.175 3.344 ( -5.690 -1.343 -3.492) 6.810 3.451 ( 3.745 4.912 -1.934) 6.472 3.600 ( 6.454 5.263 1.891) 8.540 3.752 ( -0.019 1.244 -6.582) 6.698 3.796 ( -0.200 3.373 0.802) 3.472 3.880 ( 1.221 -3.064 3.550) 4.845 3.919 ( 3.419 -10.745 -2.989) 11.665 4.110 ( 1.246 -5.264 5.242) 7.533 4.144 ( 0.977 -0.377 -0.312) 1.093 4.248 ( 1.903 -3.730 -1.111) 4.332 4.319 ( 1.146 -0.954 0.559) 1.592 4.388 ( 0.763 -1.257 3.567) 3.859 4.445 ( -2.305 -4.120 1.845) 5.068 4.582 ( -1.688 1.489 -0.388) 2.284 4.653 ( -2.474 -4.228 2.716) 5.601 4.879 ( -1.146 -3.472 6.749) 7.676 4.955 ( 6.113 -5.468 -6.816) 10.664 5.107 ( 2.785 -1.390 1.263) 3.360 5.269 ( 0.902 -3.961 -0.706) 4.123 5.286 ( 6.498 4.620 -9.141) 12.130 5.344 ( -4.200 3.104 -0.607) 5.258 5.665 ( 1.261 7.267 -0.902) 7.430 5.693 ( 0.183 0.303 0.836) 0.908 5.771 ( -3.297 10.151 0.550) 10.687 5.863 ( -5.447 -2.186 5.956) 8.362 5.903 ( -3.133 -3.579 3.538) 5.928 6.239 ( -9.625 4.424 8.154) 13.368 6.450 ( -1.201 -0.771 -2.760) 3.107 6.516 ( 5.568 4.187 -2.918) 7.553 6.666 ( -0.710 8.195 -3.868) 9.089 6.811 ( 0.295 -1.198 -0.876) 1.513 6.998 ( 2.657 3.901 -3.922) 6.137 7.112 ( -2.966 -1.703 -3.616) 4.977 7.191 ( -1.137 -3.948 -6.983) 8.102 7.266 ( -2.059 0.690 -2.285) 3.152 7.353 ( -3.353 -6.019 3.411) 7.688 7.445 ( -4.392 2.162 5.956) 7.710 7.585 ( 0.242 -6.415 4.306) 7.730 8.007 ( 2.150 -4.068 -2.422) 5.200 8.117 ( -0.785 -7.038 1.380) 7.215 8.181 ( -1.135 -3.881 8.125) 9.076 8.293 ( 5.594 -5.972 -6.077) 10.192 8.424 ( -0.968 -11.684 4.347) 12.504 8.447 ( 0.206 -2.225 3.502) 4.154 8.585 ( 0.547 -12.169 -4.059) 12.840 8.728 ( -0.439 1.759 -3.921) 4.320 8.832 ( 0.675 -8.208 -1.581) 8.386 9.088 ( -0.774 -1.860 1.885) 2.759 9.153 ( 1.665 7.033 -1.757) 7.438 9.290 ( -0.319 6.170 0.583) 6.206 9.512 ( -4.466 0.595 0.503) 4.534 9.598 ( -6.229 2.782 -0.064) 6.822 10.300 ( 3.988 8.283 0.333) 9.199 10.359 ( 6.169 -0.087 -1.100) 6.267 10.412 ( 3.773 12.210 -0.669) 12.797 10.478 ( 4.977 1.747 -0.649) 5.314 10.584 ( 0.607 -0.410 0.172) 0.753 10.697 ( -0.893 3.437 0.877) 3.658 10.901 ( -1.013 8.356 -2.466) 8.771 10.920 ( -7.690 7.747 3.448) 11.447 11.479 ( 4.441 0.792 -1.905) 4.897 11.544 ( 0.933 5.150 2.598) 5.843 11.564 ( 3.353 2.582 0.574) 4.270 11.750 ( -0.144 13.251 -0.616) 13.266 12.217 ( 2.187 3.110 -2.848) 4.751 12.437 ( 1.883 -3.412 4.596) 6.026 12.616 ( 0.298 -0.216 3.973) 3.990 12.885 ( -2.272 -1.010 -10.845) 11.127 13.185 ( -0.655 -8.581 0.616) 8.628 13.364 ( -4.101 -4.340 0.397) 5.985 13.408 ( -3.978 2.024 -0.775) 4.530 13.527 ( -1.074 -3.039 2.933) 4.358 13.667 ( 2.018 -2.111 0.563) 2.974 13.759 ( 0.647 0.445 -2.334) 2.463 13.938 ( 1.393 -9.107 3.829) 9.977 14.155 ( 3.915 -5.074 -0.390) 6.420 15.665 ( 2.670 1.476 0.638) 3.117 15.738 ( 2.260 0.914 -0.870) 2.588 16.188 ( -3.514 -0.848 0.113) 3.616 16.211 ( -3.333 -0.566 -0.136) 3.384 20.646 ( -1.259 0.715 -1.042) 1.784 20.683 ( -1.401 -0.312 0.717) 1.604 20.762 ( 0.172 1.653 0.256) 1.681 20.856 ( -0.495 0.760 0.619) 1.098 21.260 ( 4.306 -1.522 1.388) 4.773 21.388 ( 1.489 -2.366 -1.827) 3.339 21.669 ( 2.043 0.592 -0.234) 2.140 21.699 ( 0.899 0.399 -0.222) 1.009 22.015 ( 3.610 1.101 0.249) 3.782 22.115 ( -0.074 -0.081 -2.265) 2.268 22.152 ( 0.011 -0.949 1.443) 1.728 22.174 ( -0.330 -0.544 0.523) 0.824 22.577 ( 0.183 1.029 3.853) 3.993 22.687 ( -2.498 0.322 -3.014) 3.928 22.735 ( -1.249 -0.852 1.212) 1.938 22.904 ( -3.890 -2.430 -1.190) 4.738 23.616 ( -1.661 3.099 0.104) 3.517 23.671 ( 0.946 0.866 -1.046) 1.654 23.703 ( -1.622 4.672 0.346) 4.958 23.762 ( 0.218 1.438 0.285) 1.482 23.878 ( 0.608 0.753 -0.481) 1.081 23.890 ( -1.141 0.330 0.288) 1.222 24.146 ( -0.120 -1.943 -0.712) 2.072 24.275 ( 1.632 -1.915 1.566) 2.963 24.362 ( 0.492 -0.345 -0.463) 0.759 24.443 ( -0.285 1.980 -0.683) 2.113 24.841 ( 7.200 -6.989 3.216) 10.537 24.903 ( 5.016 -5.119 -2.843) 7.710 ======================= Grid point 15 (11/88) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -3.168 0.968 1.073) 3.482 1.190 ( -2.512 1.917 -0.078) 3.161 1.194 ( 4.201 0.971 -1.518) 4.571 1.282 ( 3.535 -2.268 -0.247) 4.208 1.435 ( 4.896 -1.300 1.052) 5.174 1.513 ( 1.782 2.037 -0.201) 2.714 1.592 ( 0.765 -1.882 -0.991) 2.260 1.694 ( 0.468 -1.699 1.733) 2.471 1.780 ( -4.470 -3.584 1.454) 5.911 1.840 ( -1.385 2.433 3.359) 4.373 1.861 ( 0.749 2.026 0.572) 2.234 1.947 ( 6.551 0.025 -2.014) 6.854 2.028 ( 3.446 4.795 -2.507) 6.415 2.193 ( 0.771 -0.536 -3.949) 4.059 2.268 ( -0.461 4.829 -2.369) 5.398 2.360 ( 0.677 3.807 -3.954) 5.530 2.409 ( -7.350 -1.881 10.748) 13.156 2.700 ( 0.899 -5.188 -4.683) 7.046 2.805 ( 1.658 3.181 -1.295) 3.814 2.890 ( 3.507 -2.750 -0.660) 4.505 2.976 ( 1.736 -1.681 -1.100) 2.655 3.042 ( 4.450 -4.576 -1.690) 6.603 3.132 ( 6.486 4.119 1.510) 7.830 3.200 ( 0.850 0.840 0.412) 1.264 3.266 ( 0.787 -1.096 2.572) 2.904 3.509 ( 3.302 7.475 -1.535) 8.315 3.686 ( -0.889 -0.232 2.178) 2.364 3.726 ( 0.022 0.373 -3.051) 3.074 3.787 ( 3.045 7.821 -1.962) 8.620 3.963 ( 3.819 -6.839 3.122) 8.432 3.972 ( 4.284 -5.506 -0.782) 7.020 4.139 ( -2.816 -0.596 6.079) 6.726 4.171 ( 2.043 -2.990 -1.190) 3.812 4.264 ( 0.757 -1.727 -0.453) 1.939 4.318 ( -0.138 -1.791 -3.702) 4.115 4.365 ( -2.568 -6.087 -2.363) 7.016 4.464 ( 1.381 -1.339 4.634) 5.017 4.553 ( -1.852 1.580 1.588) 2.907 4.619 ( -3.519 -5.666 3.388) 7.480 4.886 ( -1.345 0.514 2.589) 2.963 5.000 ( 4.472 -4.507 -7.391) 9.744 5.170 ( 2.787 0.027 1.010) 2.964 5.231 ( -2.180 0.860 -4.770) 5.315 5.265 ( -2.054 -7.077 2.520) 7.788 5.389 ( 7.367 4.204 -4.746) 9.720 5.613 ( -6.450 4.203 0.448) 7.712 5.717 ( -3.597 9.567 4.512) 11.172 5.723 ( 0.400 1.241 1.057) 1.678 5.787 ( -3.177 -5.167 3.356) 6.932 5.935 ( 3.306 2.591 -1.396) 4.427 6.111 ( -9.338 5.975 5.385) 12.325 6.419 ( -0.458 -0.302 -1.804) 1.885 6.585 ( 3.614 4.014 -1.849) 5.709 6.630 ( -0.878 7.888 -1.536) 8.084 6.803 ( -0.293 -4.196 -1.191) 4.371 7.005 ( 0.812 1.574 -3.409) 3.841 7.061 ( -0.748 0.390 -0.326) 0.905 7.121 ( -1.497 -0.008 -4.562) 4.802 7.237 ( 0.365 1.576 -2.416) 2.907 7.317 ( -3.195 -3.959 3.822) 6.363 7.428 ( -1.336 1.675 2.574) 3.349 7.617 ( 0.339 -6.759 2.633) 7.261 8.030 ( 2.129 -5.099 -2.368) 6.012 8.102 ( -1.560 -7.731 1.338) 7.999 8.214 ( -0.836 -1.426 5.869) 6.098 8.353 ( 5.057 -9.781 -4.563) 11.919 8.435 ( -1.496 -12.136 3.869) 12.825 8.494 ( 0.943 -2.035 5.855) 6.270 8.564 ( 0.419 -11.272 -3.487) 11.806 8.666 ( -1.997 -2.182 -6.246) 6.911 8.840 ( 0.832 -2.570 -0.541) 2.755 9.082 ( -1.064 -1.857 1.560) 2.648 9.182 ( 2.444 6.252 -1.289) 6.836 9.277 ( -1.583 5.335 0.880) 5.634 9.459 ( -1.618 1.676 -0.243) 2.342 9.507 ( -3.789 2.569 0.227) 4.584 10.383 ( 4.941 7.126 -0.182) 8.673 10.447 ( 3.790 0.310 -0.331) 3.817 10.498 ( 5.939 8.863 -0.726) 10.694 10.543 ( 2.279 1.745 0.129) 2.873 10.587 ( -0.586 -1.121 0.431) 1.336 10.672 ( -1.230 4.217 -1.218) 4.559 10.795 ( -8.505 8.963 2.995) 12.713 10.876 ( -0.496 8.395 -1.114) 8.483 11.492 ( -0.977 6.534 -0.129) 6.607 11.583 ( 2.755 2.788 -0.446) 3.945 11.603 ( 0.161 10.686 0.295) 10.691 11.795 ( 3.496 2.757 1.116) 4.590 12.234 ( 1.506 2.044 -1.918) 3.182 12.518 ( 2.338 -2.709 7.077) 7.931 12.647 ( 0.467 -0.655 2.362) 2.495 12.768 ( -2.222 -1.389 -10.427) 10.751 13.186 ( 0.472 -7.560 0.784) 7.615 13.285 ( -4.482 -5.441 0.224) 7.053 13.349 ( -1.742 2.272 -1.281) 3.136 13.528 ( -0.632 -2.068 1.551) 2.661 13.697 ( 0.993 -2.398 0.303) 2.614 13.756 ( 0.512 1.107 -1.452) 1.896 13.974 ( 0.249 -9.367 2.290) 9.646 14.205 ( 1.904 -5.374 -0.215) 5.705 15.714 ( 2.187 1.502 0.399) 2.683 15.773 ( 1.972 1.034 -0.567) 2.298 16.131 ( -2.631 -0.633 0.117) 2.709 16.154 ( -2.701 -0.787 -0.120) 2.816 20.618 ( -0.926 0.524 -0.724) 1.287 20.664 ( -0.950 -0.642 0.105) 1.151 20.771 ( 0.320 1.608 0.827) 1.836 20.848 ( -0.510 1.327 -0.125) 1.427 21.334 ( 2.788 -1.340 1.006) 3.252 21.401 ( 0.940 -2.037 -1.104) 2.501 21.696 ( 1.016 0.586 0.133) 1.180 21.711 ( 0.553 1.087 -0.158) 1.230 22.060 ( 1.272 -1.341 -0.776) 2.005 22.103 ( 0.062 -0.401 -1.017) 1.095 22.158 ( 0.633 0.978 0.420) 1.238 22.195 ( 0.986 -0.152 1.686) 1.959 22.602 ( -0.106 -0.101 0.670) 0.686 22.631 ( -1.295 0.651 -0.138) 1.456 22.721 ( -1.020 -0.522 0.562) 1.277 22.829 ( -3.157 -3.255 -1.150) 4.679 23.590 ( -0.999 3.612 0.022) 3.748 23.664 ( -0.797 4.726 -0.451) 4.814 23.702 ( 0.634 0.146 0.308) 0.720 23.763 ( 0.096 1.951 -0.251) 1.969 23.860 ( -1.596 1.244 0.543) 2.095 23.901 ( 1.276 1.684 -0.537) 2.180 24.137 ( -0.351 -1.432 -0.371) 1.520 24.300 ( 0.247 -1.639 1.310) 2.112 24.360 ( 0.116 1.444 -1.174) 1.864 24.439 ( -0.023 1.152 0.075) 1.155 24.962 ( 3.939 -7.670 0.026) 8.622 24.977 ( 4.332 -6.633 0.146) 7.924 ======================= Grid point 16 (12/88) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.004 0.428 0.003) 0.428 1.178 ( 0.002 1.351 -0.001) 1.351 1.224 ( 0.001 1.199 0.001) 1.199 1.316 ( 0.003 -2.617 -0.001) 2.617 1.499 ( 0.004 0.018 0.001) 0.019 1.530 ( 0.000 1.409 -0.000) 1.409 1.589 ( 0.001 -2.107 0.000) 2.107 1.709 ( -0.009 0.083 0.004) 0.084 1.714 ( 0.014 -7.045 -0.003) 7.045 1.838 ( 0.002 2.090 -0.002) 2.090 1.870 ( 0.001 -0.528 0.003) 0.528 2.058 ( 0.003 6.105 0.002) 6.105 2.090 ( 0.531 0.459 0.121) 0.712 2.094 ( -0.516 -0.653 -0.124) 0.841 2.278 ( 0.002 7.266 0.000) 7.266 2.348 ( -0.001 4.008 0.002) 4.008 2.372 ( 0.003 -3.564 -0.003) 3.564 2.678 ( 0.005 -5.025 0.005) 5.025 2.816 ( 0.005 2.796 -0.009) 2.796 2.921 ( 0.007 -2.743 -0.002) 2.743 2.991 ( 0.002 1.058 0.001) 1.058 3.078 ( 0.012 -7.033 -0.008) 7.033 3.138 ( 0.009 0.870 0.002) 0.870 3.244 ( 0.008 0.056 0.003) 0.056 3.344 ( 0.002 3.119 0.001) 3.119 3.557 ( -0.003 11.866 0.002) 11.866 3.606 ( 0.009 -5.867 0.002) 5.867 3.738 ( 0.003 0.785 -0.000) 0.785 3.832 ( 0.002 7.222 0.001) 7.222 3.999 ( 0.002 -8.843 -0.001) 8.843 4.075 ( -0.039 2.548 0.016) 2.549 4.087 ( 0.043 -4.593 -0.010) 4.593 4.179 ( 0.010 -3.003 -0.005) 3.003 4.273 ( 0.005 0.183 -0.002) 0.183 4.297 ( -0.003 -2.792 -0.000) 2.792 4.329 ( 0.004 -7.561 0.007) 7.561 4.509 ( 0.011 0.600 -0.003) 0.600 4.535 ( -0.000 0.195 -0.002) 0.195 4.592 ( 0.000 -6.592 0.004) 6.592 4.881 ( 0.002 3.065 -0.002) 3.065 5.013 ( 0.001 -1.471 -0.001) 1.471 5.184 ( -0.001 0.963 0.002) 0.963 5.200 ( 0.007 -4.331 -0.000) 4.331 5.268 ( 0.002 -7.095 -0.001) 7.095 5.482 ( 0.018 -1.488 -0.008) 1.488 5.502 ( -0.011 8.093 0.006) 8.093 5.688 ( 0.001 11.507 -0.002) 11.507 5.737 ( 0.002 -3.555 -0.003) 3.555 5.782 ( 0.001 -2.743 0.005) 2.743 5.995 ( -0.014 3.197 0.006) 3.197 6.005 ( 0.016 7.852 -0.005) 7.852 6.408 ( 0.000 0.047 -0.000) 0.047 6.613 ( -0.001 6.114 0.001) 6.114 6.615 ( 0.001 5.774 -0.001) 5.774 6.794 ( 0.002 -6.130 -0.000) 6.130 6.996 ( 0.001 -0.220 -0.000) 0.220 7.063 ( 0.000 2.193 -0.001) 2.193 7.086 ( 0.004 1.534 0.001) 1.534 7.234 ( 0.000 2.314 0.001) 2.314 7.301 ( 0.000 -3.274 0.000) 3.274 7.426 ( 0.000 1.457 0.000) 1.457 7.630 ( -0.000 -6.877 0.001) 6.877 8.043 ( 0.001 -5.479 -0.001) 5.479 8.091 ( -0.000 -7.866 0.000) 7.866 8.229 ( 0.001 -0.100 0.000) 0.100 8.396 ( 0.004 -11.665 -0.002) 11.665 8.423 ( -0.003 -12.730 0.002) 12.730 8.530 ( 0.001 -7.307 -0.005) 7.307 8.579 ( -0.007 -0.496 -0.012) 0.496 8.592 ( 0.008 -8.009 0.017) 8.009 8.847 ( 0.002 -0.600 -0.000) 0.600 9.077 ( 0.002 -2.156 -0.000) 2.156 9.206 ( -0.001 6.508 0.000) 6.508 9.259 ( 0.002 4.371 -0.000) 4.371 9.445 ( 0.000 2.806 -0.000) 2.806 9.472 ( 0.000 2.014 0.000) 2.014 10.445 ( -0.000 5.976 0.000) 5.976 10.475 ( 0.001 0.981 -0.000) 0.981 10.553 ( 0.000 4.880 0.000) 4.880 10.577 ( 0.000 -2.253 0.000) 2.253 10.584 ( 0.001 1.204 -0.000) 1.204 10.677 ( 0.002 14.482 -0.001) 14.482 10.679 ( -0.002 3.599 0.001) 3.599 10.867 ( 0.000 8.268 0.000) 8.268 11.480 ( 0.002 8.680 0.000) 8.680 11.599 ( 0.003 14.564 -0.001) 14.564 11.612 ( -0.000 0.868 0.001) 0.868 11.837 ( 0.000 -0.850 -0.000) 0.850 12.241 ( 0.001 1.587 -0.000) 1.587 12.591 ( 0.001 -2.775 0.000) 2.775 12.660 ( 0.000 -0.906 0.001) 0.906 12.685 ( 0.000 -1.184 -0.001) 1.184 13.218 ( 0.099 -3.713 0.016) 3.714 13.218 ( -0.098 -8.642 -0.017) 8.642 13.328 ( 0.001 1.992 0.000) 1.992 13.527 ( 0.000 -1.789 0.000) 1.789 13.707 ( 0.003 -2.432 -0.000) 2.432 13.756 ( 0.001 1.336 -0.001) 1.336 13.983 ( 0.001 -9.490 0.001) 9.490 14.222 ( 0.000 -5.507 -0.000) 5.507 15.738 ( 0.000 1.625 -0.000) 1.625 15.791 ( -0.000 1.003 0.000) 1.003 16.106 ( 0.000 -0.349 -0.000) 0.349 16.126 ( 0.000 -1.114 0.000) 1.114 20.607 ( 0.001 0.457 0.000) 0.457 20.655 ( 0.001 -0.754 -0.000) 0.754 20.778 ( 0.001 1.467 -0.001) 1.467 20.842 ( 0.001 1.699 0.001) 1.699 21.365 ( 0.000 -1.218 0.000) 1.218 21.405 ( 0.001 -2.081 -0.000) 2.081 21.706 ( 0.000 0.648 -0.000) 0.648 21.716 ( 0.001 1.285 0.000) 1.285 22.064 ( 0.000 -2.347 -0.000) 2.347 22.101 ( 0.001 -0.584 -0.000) 0.584 22.170 ( 0.000 2.087 0.000) 2.087 22.213 ( 0.002 0.010 -0.000) 0.010 22.589 ( 0.000 -0.715 0.000) 0.715 22.634 ( -0.000 0.467 -0.000) 0.467 22.713 ( 0.001 0.034 0.000) 0.034 22.793 ( -0.000 -3.697 -0.000) 3.697 23.581 ( 0.001 3.804 0.000) 3.804 23.655 ( 0.001 5.501 -0.000) 5.501 23.709 ( 0.000 -0.783 0.000) 0.783 23.765 ( 0.001 1.330 -0.000) 1.330 23.846 ( 0.000 2.240 0.000) 2.240 23.911 ( 0.000 2.040 -0.000) 2.040 24.132 ( 0.000 -1.249 0.000) 1.249 24.307 ( 0.000 -1.774 0.001) 1.774 24.356 ( 0.001 2.276 -0.001) 2.276 24.439 ( 0.000 0.914 0.000) 0.914 24.994 ( 0.001 -7.485 -0.000) 7.485 25.023 ( 0.001 -7.562 0.000) 7.562 ======================= Grid point 22 (13/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.000 14.120 0.000) 14.120 0.853 ( 0.000 17.806 0.000) 17.806 1.030 ( 0.000 -0.609 0.000) 0.609 1.325 ( 0.000 -1.519 0.000) 1.519 1.381 ( 0.000 -3.730 0.000) 3.730 1.434 ( 0.000 3.713 0.000) 3.713 1.479 ( 0.000 -1.604 0.000) 1.604 1.549 ( 0.000 11.176 0.000) 11.176 1.605 ( 0.000 4.058 0.000) 4.058 1.832 ( 0.000 -4.178 0.000) 4.178 1.842 ( 0.000 -5.647 0.000) 5.647 1.976 ( 0.000 0.168 0.000) 0.168 2.103 ( 0.000 -3.261 0.000) 3.261 2.116 ( 0.000 1.096 0.000) 1.096 2.201 ( 0.000 12.036 0.000) 12.036 2.374 ( 0.000 7.271 0.000) 7.271 2.389 ( 0.000 -5.197 0.000) 5.197 2.498 ( 0.000 -3.677 0.000) 3.677 2.555 ( 0.000 -3.646 0.000) 3.646 2.851 ( 0.000 0.238 0.000) 0.238 2.889 ( 0.000 -4.102 0.000) 4.102 2.921 ( 0.000 1.708 0.000) 1.708 3.076 ( 0.000 11.764 0.000) 11.764 3.185 ( 0.000 3.433 0.000) 3.433 3.463 ( 0.000 -6.991 0.000) 6.991 3.574 ( 0.000 -4.477 0.000) 4.477 3.651 ( 0.000 -6.446 0.000) 6.446 3.652 ( 0.000 9.371 0.000) 9.371 3.694 ( 0.000 -8.146 0.000) 8.146 3.779 ( 0.000 -2.966 0.000) 2.966 3.854 ( 0.000 -3.010 0.000) 3.010 3.872 ( 0.000 -17.783 0.000) 17.783 3.973 ( 0.000 1.673 0.000) 1.673 4.101 ( 0.000 1.835 0.000) 1.835 4.192 ( 0.000 5.932 0.000) 5.932 4.351 ( 0.000 -5.369 0.000) 5.369 4.384 ( 0.000 -4.907 0.000) 4.907 4.547 ( 0.000 -3.531 0.000) 3.531 4.580 ( 0.000 1.892 0.000) 1.892 4.693 ( 0.000 -1.696 0.000) 1.696 4.867 ( 0.000 -0.309 0.000) 0.309 5.088 ( 0.000 -3.895 0.000) 3.895 5.152 ( 0.000 16.299 0.000) 16.299 5.359 ( 0.000 8.702 0.000) 8.702 5.535 ( 0.000 -2.620 0.000) 2.620 5.574 ( 0.000 -5.796 0.000) 5.796 5.639 ( 0.000 0.848 0.000) 0.848 5.884 ( 0.000 -8.330 0.000) 8.330 5.948 ( 0.000 10.464 0.000) 10.464 6.232 ( 0.000 5.702 0.000) 5.702 6.331 ( 0.000 11.378 0.000) 11.378 6.434 ( 0.000 -5.573 0.000) 5.573 6.606 ( 0.000 3.861 0.000) 3.861 6.734 ( 0.000 -7.934 0.000) 7.934 6.880 ( 0.000 2.167 0.000) 2.167 7.040 ( 0.000 8.514 0.000) 8.514 7.121 ( 0.000 -6.468 0.000) 6.468 7.194 ( 0.000 -6.711 0.000) 6.711 7.253 ( 0.000 -5.278 0.000) 5.278 7.428 ( 0.000 -6.194 0.000) 6.194 7.429 ( 0.000 7.392 0.000) 7.392 7.723 ( 0.000 -0.376 0.000) 0.376 7.776 ( 0.000 -4.560 0.000) 4.560 7.949 ( 0.000 -12.242 0.000) 12.242 8.052 ( 0.000 1.919 0.000) 1.919 8.155 ( 0.000 -6.940 0.000) 6.940 8.247 ( 0.000 -1.342 0.000) 1.342 8.334 ( 0.000 -9.051 0.000) 9.051 8.443 ( 0.000 -3.010 0.000) 3.010 8.603 ( 0.000 -8.662 0.000) 8.662 8.801 ( 0.000 2.722 0.000) 2.722 8.967 ( 0.000 -4.642 0.000) 4.642 9.343 ( 0.000 4.688 0.000) 4.688 9.347 ( 0.000 4.116 0.000) 4.116 9.901 ( 0.000 0.984 0.000) 0.984 9.944 ( 0.000 3.433 0.000) 3.433 10.007 ( 0.000 -1.494 0.000) 1.494 10.081 ( 0.000 -1.834 0.000) 1.834 10.564 ( 0.000 11.829 0.000) 11.829 10.624 ( 0.000 3.463 0.000) 3.463 10.667 ( 0.000 4.147 0.000) 4.147 10.677 ( 0.000 10.479 0.000) 10.479 10.967 ( 0.000 -6.037 0.000) 6.037 11.073 ( 0.000 -6.745 0.000) 6.745 11.497 ( 0.000 12.870 0.000) 12.870 11.547 ( 0.000 19.022 0.000) 19.022 11.644 ( 0.000 3.904 0.000) 3.904 12.159 ( 0.000 3.532 0.000) 3.532 12.185 ( 0.000 7.826 0.000) 7.826 12.374 ( 0.000 5.093 0.000) 5.093 12.541 ( 0.000 -3.084 0.000) 3.084 12.960 ( 0.000 -14.204 0.000) 14.204 13.228 ( 0.000 4.404 0.000) 4.404 13.397 ( 0.000 -4.389 0.000) 4.389 13.413 ( 0.000 -1.984 0.000) 1.984 13.474 ( 0.000 -5.286 0.000) 5.286 13.652 ( 0.000 -1.942 0.000) 1.942 13.655 ( 0.000 -3.135 0.000) 3.135 13.749 ( 0.000 -3.634 0.000) 3.634 13.781 ( 0.000 -2.663 0.000) 2.663 15.618 ( 0.000 2.656 0.000) 2.656 15.688 ( 0.000 -0.543 0.000) 0.543 16.287 ( 0.000 -0.815 0.000) 0.815 16.293 ( 0.000 -1.128 0.000) 1.128 20.718 ( 0.000 1.588 0.000) 1.588 20.761 ( 0.000 -0.410 0.000) 0.410 20.811 ( 0.000 3.125 0.000) 3.125 20.851 ( 0.000 -0.027 0.000) 0.027 21.024 ( 0.000 0.978 0.000) 0.978 21.232 ( 0.000 -7.421 0.000) 7.421 21.618 ( 0.000 0.320 0.000) 0.320 21.637 ( 0.000 -1.006 0.000) 1.006 21.940 ( 0.000 3.524 0.000) 3.524 22.087 ( 0.000 -2.976 0.000) 2.976 22.185 ( 0.000 1.386 0.000) 1.386 22.219 ( 0.000 0.388 0.000) 0.388 22.567 ( 0.000 1.731 0.000) 1.731 22.659 ( 0.000 -2.716 0.000) 2.716 22.880 ( 0.000 2.554 0.000) 2.554 22.990 ( 0.000 -2.514 0.000) 2.514 23.672 ( 0.000 4.094 0.000) 4.094 23.758 ( 0.000 -0.572 0.000) 0.572 23.772 ( 0.000 6.315 0.000) 6.315 23.819 ( 0.000 2.914 0.000) 2.914 23.899 ( 0.000 0.199 0.000) 0.199 23.924 ( 0.000 0.426 0.000) 0.426 24.016 ( 0.000 -4.741 0.000) 4.741 24.045 ( 0.000 -5.208 0.000) 5.208 24.331 ( 0.000 1.883 0.000) 1.883 24.473 ( 0.000 -4.323 0.000) 4.323 24.550 ( 0.000 4.315 0.000) 4.315 24.742 ( 0.000 -4.689 0.000) 4.689 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 9.917 8.192 5.441) 13.966 0.903 ( 5.289 11.863 2.346) 13.199 1.090 ( 5.125 0.473 -0.089) 5.148 1.313 ( -0.747 -0.279 -0.493) 0.937 1.379 ( 2.459 -2.745 -3.927) 5.385 1.472 ( 3.274 9.371 -1.384) 10.022 1.496 ( 1.178 0.299 1.792) 2.165 1.583 ( 2.318 4.703 0.833) 5.309 1.643 ( 3.899 2.408 1.516) 4.827 1.760 ( -2.868 -2.916 -1.035) 4.219 1.922 ( 3.811 -3.928 1.544) 5.687 1.965 ( -2.101 0.538 2.530) 3.333 2.079 ( -1.447 -0.202 0.947) 1.741 2.159 ( 0.618 -1.256 1.084) 1.770 2.248 ( 3.929 10.473 1.618) 11.302 2.315 ( -0.766 0.951 0.311) 1.260 2.421 ( 0.876 0.123 -3.103) 3.227 2.455 ( -2.612 0.025 1.755) 3.147 2.607 ( 3.808 -5.679 0.230) 6.842 2.853 ( 1.335 6.703 -2.917) 7.431 2.888 ( 1.185 -7.521 -1.874) 7.841 2.940 ( 2.201 0.702 -2.382) 3.318 3.080 ( 0.821 9.958 -0.775) 10.022 3.186 ( -0.645 3.695 1.615) 4.083 3.462 ( -1.595 -3.950 3.962) 5.818 3.562 ( -2.277 -5.864 -5.181) 8.149 3.578 ( -1.924 -4.629 -1.763) 5.314 3.630 ( 0.767 3.840 -3.914) 5.537 3.720 ( -2.426 -6.344 8.301) 10.725 3.776 ( 0.695 -3.661 -0.618) 3.777 3.838 ( -3.630 -6.987 5.484) 9.595 3.900 ( 2.629 -8.551 -3.903) 9.760 3.988 ( 2.903 -2.547 -2.033) 4.365 4.120 ( 1.584 -0.581 -0.025) 1.687 4.212 ( 1.872 3.719 0.246) 4.171 4.306 ( -3.981 -2.927 6.043) 7.806 4.437 ( 4.538 -3.396 -5.417) 7.841 4.556 ( -0.292 -3.746 1.207) 3.946 4.583 ( 1.238 0.889 0.329) 1.560 4.696 ( 0.125 -3.174 0.337) 3.195 4.881 ( 1.918 2.046 -0.010) 2.805 5.114 ( 1.802 -2.009 0.779) 2.809 5.164 ( 1.768 13.138 -0.525) 13.267 5.362 ( 0.612 8.079 -0.492) 8.117 5.521 ( -1.407 0.430 -1.046) 1.806 5.586 ( 1.917 -7.750 -1.050) 8.052 5.653 ( 1.012 0.354 0.561) 1.210 5.848 ( -2.684 -6.437 -1.389) 7.111 5.962 ( 0.823 8.667 0.300) 8.711 6.199 ( -5.349 9.173 6.158) 12.275 6.366 ( 3.935 7.787 -2.383) 9.045 6.415 ( -2.105 -5.388 0.369) 5.796 6.599 ( 0.744 4.039 -3.776) 5.579 6.743 ( -0.091 -7.752 2.517) 8.151 6.870 ( -1.349 2.870 0.941) 3.307 7.051 ( 0.972 6.922 0.105) 6.991 7.115 ( -0.528 -4.623 0.059) 4.653 7.186 ( 0.765 -5.502 -4.696) 7.274 7.245 ( -0.833 -5.391 0.031) 5.455 7.416 ( 0.248 0.390 -3.093) 3.127 7.445 ( -0.677 0.824 4.402) 4.529 7.652 ( -6.347 1.694 2.233) 6.938 7.806 ( 0.939 -7.490 1.122) 7.632 7.949 ( -0.524 -11.488 1.193) 11.562 8.042 ( -0.581 -1.590 -1.123) 2.031 8.150 ( 0.944 -7.077 -3.463) 7.935 8.253 ( -1.161 -0.937 4.797) 5.024 8.339 ( 2.686 -6.994 -5.196) 9.117 8.436 ( -1.433 -3.074 2.005) 3.940 8.614 ( 1.309 -9.096 -0.714) 9.217 8.804 ( 0.384 3.087 -0.238) 3.120 8.981 ( 1.175 -4.632 0.446) 4.800 9.317 ( -0.971 5.284 -1.594) 5.604 9.363 ( 0.457 3.217 0.634) 3.311 9.771 ( -7.815 2.707 0.117) 8.271 9.889 ( -7.969 -1.308 -0.090) 8.076 10.081 ( 8.505 2.046 0.209) 8.750 10.197 ( 7.838 -1.952 -0.193) 8.080 10.555 ( -0.672 12.052 -0.810) 12.098 10.622 ( 0.181 4.437 0.107) 4.442 10.666 ( -0.695 11.464 0.245) 11.488 10.694 ( 1.997 2.300 0.123) 3.048 10.968 ( 0.401 -5.977 -0.796) 6.043 11.066 ( -0.881 -6.456 0.289) 6.522 11.509 ( 1.205 11.974 0.262) 12.038 11.561 ( 1.055 18.606 1.397) 18.688 11.653 ( 0.845 4.654 0.359) 4.744 12.151 ( -0.506 11.410 -1.805) 11.562 12.201 ( 1.320 0.275 1.763) 2.219 12.361 ( -0.440 4.927 -2.160) 5.397 12.545 ( -0.211 -2.889 1.955) 3.495 12.948 ( -0.748 -14.342 -1.881) 14.484 13.171 ( -3.224 3.660 -4.470) 6.616 13.377 ( -2.056 -5.701 -0.144) 6.062 13.435 ( -0.192 -2.202 3.442) 4.090 13.505 ( 2.860 -4.948 0.068) 5.716 13.590 ( -4.508 -0.112 0.870) 4.593 13.666 ( 0.162 -4.460 1.378) 4.671 13.757 ( 1.228 -0.788 0.127) 1.465 13.855 ( 5.647 -5.038 0.230) 7.571 15.628 ( 1.066 2.567 0.191) 2.786 15.695 ( 0.905 -0.427 -0.343) 1.058 16.271 ( -1.662 -0.739 0.041) 1.819 16.283 ( -1.226 -1.130 -0.016) 1.667 20.714 ( -0.404 1.493 -0.255) 1.568 20.746 ( -1.537 0.270 0.046) 1.561 20.801 ( -0.889 2.329 0.627) 2.570 20.854 ( -0.285 -0.217 1.200) 1.252 21.064 ( 3.802 0.852 0.469) 3.925 21.248 ( 1.955 -6.746 -0.729) 7.061 21.623 ( 1.245 0.479 -1.336) 1.888 21.648 ( 1.191 -1.000 -0.355) 1.595 21.956 ( 1.292 3.408 1.121) 3.813 22.094 ( 0.567 -2.694 0.401) 2.782 22.174 ( -0.828 1.040 -1.018) 1.674 22.204 ( -0.866 0.104 -1.645) 1.862 22.571 ( -0.376 1.918 2.162) 2.915 22.667 ( -0.051 -2.689 2.175) 3.459 22.861 ( -1.468 2.542 -1.787) 3.437 22.974 ( -1.533 -2.658 -0.671) 3.140 23.677 ( 0.311 3.621 0.145) 3.637 23.745 ( -0.700 0.362 -1.308) 1.527 23.783 ( 0.591 5.257 0.978) 5.380 23.822 ( -0.042 3.686 0.733) 3.759 23.890 ( -0.355 0.129 -0.822) 0.904 23.917 ( -0.569 0.578 0.382) 0.896 24.050 ( 1.925 -4.628 0.067) 5.013 24.061 ( 2.943 -5.373 -0.049) 6.127 24.337 ( 0.457 1.927 0.693) 2.098 24.493 ( 2.098 -4.485 -0.076) 4.952 24.547 ( -0.352 3.962 0.567) 4.017 24.742 ( 0.576 -4.887 -1.359) 5.105 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 7.021 1.563 3.392) 7.953 1.063 ( 7.586 3.279 5.814) 10.105 1.165 ( 4.116 1.589 -2.214) 4.936 1.297 ( -0.691 2.781 -0.534) 2.915 1.404 ( -0.001 -2.467 0.397) 2.498 1.501 ( 3.198 5.130 -3.139) 6.811 1.564 ( 3.135 1.227 -1.207) 3.576 1.604 ( 1.366 4.084 0.398) 4.325 1.729 ( 3.568 2.581 -1.524) 4.660 1.767 ( 3.427 1.106 3.559) 5.063 1.937 ( -2.972 0.191 2.399) 3.824 1.988 ( 1.727 -1.344 1.796) 2.832 2.067 ( -0.597 -1.091 0.804) 1.481 2.113 ( -3.151 1.601 0.841) 3.633 2.361 ( 6.994 4.967 -0.756) 8.612 2.368 ( 2.205 1.861 0.687) 2.966 2.416 ( 0.429 5.506 4.376) 7.046 2.456 ( 3.932 -1.193 -2.224) 4.672 2.675 ( 3.680 -5.774 -0.484) 6.864 2.862 ( 1.868 3.152 -3.282) 4.919 2.896 ( 1.457 -1.621 -1.938) 2.916 2.951 ( 2.235 2.626 -6.114) 7.020 3.092 ( 1.195 6.229 -1.109) 6.439 3.183 ( -0.825 3.533 1.804) 4.051 3.424 ( -6.908 -5.830 -1.402) 9.147 3.484 ( 0.731 2.485 2.468) 3.578 3.589 ( 3.148 -9.871 -3.317) 10.879 3.640 ( 2.603 0.962 -1.804) 3.310 3.715 ( -2.546 -4.600 4.512) 6.928 3.790 ( 0.410 -2.707 -0.128) 2.741 3.843 ( 0.252 -8.195 6.622) 10.539 3.910 ( 2.171 -1.705 -4.036) 4.889 4.028 ( 2.223 -8.333 -0.364) 8.632 4.129 ( -1.302 -5.508 2.192) 6.070 4.260 ( 3.412 0.748 -1.089) 3.659 4.311 ( 0.262 -0.347 3.203) 3.232 4.452 ( 0.863 -0.091 -3.151) 3.268 4.547 ( -2.510 -4.442 3.937) 6.444 4.619 ( 2.141 0.581 -1.820) 2.869 4.712 ( 1.480 -4.209 1.472) 4.698 4.934 ( 3.886 4.459 -0.681) 5.954 5.143 ( 0.987 3.167 0.413) 3.343 5.206 ( 2.592 4.766 -0.256) 5.431 5.376 ( 1.769 6.909 -1.933) 7.389 5.469 ( -3.200 1.751 -1.513) 3.949 5.619 ( 2.209 -7.316 -0.871) 7.691 5.672 ( 0.486 -0.441 0.779) 1.018 5.784 ( -3.931 -7.135 0.491) 8.161 5.979 ( 1.376 8.996 -0.674) 9.125 6.143 ( -5.678 13.312 6.689) 15.943 6.364 ( -3.976 -1.453 1.480) 4.484 6.420 ( 2.405 1.477 -0.220) 2.831 6.581 ( 1.875 3.678 -7.602) 8.650 6.762 ( 0.223 -6.995 2.208) 7.339 6.847 ( -2.378 4.127 1.709) 5.060 7.061 ( 0.267 0.149 -1.738) 1.765 7.114 ( -0.676 1.514 2.990) 3.419 7.152 ( 0.455 -1.764 -7.417) 7.637 7.226 ( -1.272 -5.616 0.213) 5.762 7.386 ( -1.082 0.753 -3.340) 3.591 7.465 ( -0.279 0.732 3.452) 3.540 7.564 ( -4.824 3.777 2.885) 6.772 7.819 ( -0.413 -10.717 2.120) 10.932 7.943 ( -0.688 -10.324 -0.325) 10.352 8.024 ( -0.946 -7.124 1.186) 7.284 8.145 ( 1.089 -9.122 -2.860) 9.621 8.271 ( -1.609 -0.024 6.816) 7.003 8.358 ( 4.626 -3.713 -7.917) 9.892 8.423 ( -1.957 -3.028 3.149) 4.787 8.631 ( 1.698 -9.894 -2.685) 10.391 8.810 ( 0.344 4.113 0.037) 4.128 9.007 ( 1.094 -4.638 0.697) 4.816 9.293 ( -0.252 5.738 -1.618) 5.967 9.371 ( 0.157 2.213 0.173) 2.225 9.644 ( -6.435 3.066 0.453) 7.143 9.749 ( -7.354 -0.528 -0.029) 7.373 10.230 ( 7.826 1.545 0.125) 7.978 10.330 ( 7.021 -1.651 -0.290) 7.218 10.537 ( -0.290 11.486 -1.072) 11.539 10.634 ( 0.806 6.816 0.536) 6.884 10.654 ( -0.346 10.896 -0.370) 10.908 10.734 ( 1.699 1.168 0.709) 2.180 10.968 ( 0.402 -5.524 -1.359) 5.703 11.043 ( -2.092 -4.993 0.614) 5.449 11.541 ( 2.277 10.562 -0.305) 10.809 11.608 ( 2.412 16.034 3.082) 16.505 11.678 ( 1.490 6.594 0.490) 6.778 12.117 ( -1.370 14.362 -2.653) 14.669 12.255 ( 2.663 -1.440 3.228) 4.425 12.334 ( -0.405 3.679 -3.010) 4.770 12.563 ( 0.216 -2.578 3.028) 3.983 12.901 ( -2.290 -12.820 -3.826) 13.573 13.084 ( -2.601 1.323 -3.842) 4.824 13.319 ( -3.719 -7.436 -1.252) 8.408 13.447 ( -0.663 -2.785 2.249) 3.640 13.511 ( -3.236 -0.320 0.715) 3.329 13.569 ( 2.283 -2.327 0.116) 3.262 13.690 ( 1.224 -6.485 1.377) 6.742 13.787 ( 0.954 1.094 2.214) 2.647 13.954 ( 4.871 -6.280 0.271) 7.952 15.658 ( 2.035 2.355 0.291) 3.127 15.716 ( 1.822 -0.136 -0.540) 1.905 16.230 ( -2.878 -0.587 0.028) 2.937 16.248 ( -2.549 -1.126 -0.038) 2.787 20.696 ( -1.145 1.224 -0.946) 1.924 20.715 ( -1.967 0.544 0.482) 2.097 20.795 ( -0.367 1.962 0.914) 2.195 20.858 ( -0.444 -0.462 1.830) 1.939 21.150 ( 4.943 0.415 0.520) 4.988 21.285 ( 2.738 -5.211 -1.248) 6.017 21.647 ( 2.350 0.649 -1.192) 2.714 21.672 ( 1.802 -0.680 -0.462) 1.981 21.999 ( 2.312 2.905 1.220) 3.909 22.110 ( 0.882 -1.998 -0.271) 2.201 22.148 ( -1.081 0.358 -0.662) 1.318 22.171 ( -1.284 -0.509 -1.643) 2.147 22.585 ( -0.372 2.091 3.636) 4.211 22.682 ( -0.481 -2.435 2.818) 3.755 22.805 ( -2.782 2.323 -2.935) 4.664 22.924 ( -3.173 -3.068 -1.601) 4.695 23.683 ( 0.339 2.790 -0.111) 2.812 23.716 ( -1.444 1.123 -0.976) 2.073 23.797 ( -0.387 3.183 1.008) 3.361 23.824 ( -0.060 4.666 0.284) 4.675 23.891 ( 1.516 2.128 -0.764) 2.722 23.912 ( -0.318 1.168 0.350) 1.260 24.075 ( 1.264 -4.441 -0.243) 4.624 24.136 ( 4.263 -5.464 0.521) 6.950 24.358 ( 1.074 2.350 1.271) 2.880 24.517 ( 0.711 1.962 -2.683) 3.399 24.578 ( 3.054 -4.178 3.755) 6.395 24.747 ( 1.657 -5.787 -2.460) 6.503 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.812 -2.617 1.441) 4.843 1.161 ( 1.044 -4.493 1.104) 4.743 1.241 ( 1.098 2.819 1.547) 3.398 1.305 ( 3.734 6.056 -1.172) 7.211 1.360 ( -2.444 -0.474 -0.644) 2.571 1.546 ( 2.553 3.111 -0.913) 4.127 1.556 ( 0.139 -1.814 -2.300) 2.933 1.668 ( 2.154 2.636 1.391) 3.678 1.754 ( -1.419 0.672 2.217) 2.717 1.858 ( 4.928 3.640 -0.542) 6.151 1.886 ( -3.462 -1.884 0.365) 3.959 1.969 ( -4.221 -0.071 2.324) 4.819 2.107 ( 2.941 5.428 0.555) 6.199 2.125 ( 4.937 -1.920 -2.041) 5.677 2.396 ( -1.487 2.197 3.485) 4.380 2.406 ( 1.495 6.097 1.122) 6.377 2.473 ( 3.733 6.506 -5.188) 9.120 2.584 ( 6.309 -2.250 2.626) 7.195 2.743 ( 5.346 -3.180 -1.840) 6.487 2.858 ( 0.991 -7.011 -2.580) 7.536 2.904 ( 0.109 4.886 -3.994) 6.311 2.971 ( 5.165 6.667 -3.357) 9.077 3.115 ( 2.975 3.035 -0.611) 4.294 3.197 ( 1.337 3.143 1.097) 3.588 3.300 ( -5.797 -2.434 0.139) 6.289 3.528 ( 0.510 0.590 2.863) 2.967 3.628 ( 3.527 -10.965 -2.685) 11.827 3.695 ( 2.726 -3.935 -0.012) 4.786 3.709 ( 1.380 -1.203 1.746) 2.530 3.816 ( 2.173 -2.709 1.882) 3.950 3.915 ( 2.474 -1.655 3.453) 4.559 3.930 ( 2.502 -3.008 -0.963) 4.029 4.066 ( 1.609 -9.211 1.683) 9.501 4.127 ( 0.625 -5.736 0.013) 5.770 4.288 ( -0.356 -0.902 -0.132) 0.979 4.349 ( 2.910 -3.678 -0.113) 4.692 4.428 ( -1.737 1.707 -2.229) 3.301 4.525 ( -2.206 -4.390 2.268) 5.412 4.629 ( -0.611 3.326 1.829) 3.845 4.769 ( 4.027 -3.338 -0.341) 5.241 4.998 ( 3.399 4.858 -0.455) 5.946 5.157 ( 0.653 1.025 -1.086) 1.630 5.237 ( 0.467 3.592 0.973) 3.750 5.365 ( -3.283 3.336 -2.602) 5.355 5.418 ( 0.769 3.367 -0.919) 3.574 5.640 ( 0.596 -6.599 -1.670) 6.833 5.679 ( -0.522 -1.283 1.469) 2.019 5.715 ( -4.743 -6.142 2.868) 8.273 6.006 ( 2.379 8.238 -1.453) 8.697 6.095 ( -4.493 16.694 5.509) 18.145 6.292 ( -5.225 0.956 1.712) 5.581 6.446 ( -0.199 1.148 2.277) 2.557 6.565 ( 3.388 0.816 -9.972) 10.564 6.779 ( 0.582 -5.194 -0.040) 5.226 6.803 ( -4.152 3.931 2.765) 6.351 7.029 ( -2.024 -3.542 -2.297) 4.681 7.100 ( 1.120 -2.880 -6.658) 7.340 7.143 ( -0.788 8.841 5.340) 10.359 7.210 ( -0.186 -5.198 -0.696) 5.247 7.336 ( -1.255 2.221 -4.105) 4.833 7.483 ( -0.500 0.765 3.708) 3.819 7.527 ( -1.203 3.620 1.192) 3.997 7.828 ( -0.255 -12.267 2.058) 12.441 7.918 ( -0.786 -10.512 -2.449) 10.823 8.032 ( -0.258 -9.758 3.608) 10.407 8.149 ( 0.571 -11.964 -0.578) 11.991 8.290 ( -1.463 0.787 6.266) 6.483 8.386 ( 3.201 -4.004 -5.635) 7.618 8.419 ( -0.079 -1.242 2.313) 2.626 8.626 ( 0.707 -8.995 -5.164) 10.397 8.821 ( 0.692 4.323 0.720) 4.437 9.024 ( 0.184 -4.398 0.698) 4.457 9.288 ( 0.902 5.678 -1.428) 5.924 9.371 ( -0.372 1.907 0.140) 1.948 9.551 ( -4.320 2.853 0.632) 5.216 9.630 ( -5.837 0.243 0.079) 5.843 10.359 ( 6.395 1.101 -0.147) 6.490 10.442 ( 5.494 -1.317 -0.066) 5.650 10.536 ( 0.838 10.349 -0.594) 10.400 10.651 ( 0.569 10.826 -0.032) 10.841 10.658 ( 1.131 6.235 -0.000) 6.336 10.754 ( -0.038 1.693 0.485) 1.762 10.961 ( -0.481 -4.356 -0.992) 4.494 11.001 ( -2.750 -1.710 0.503) 3.277 11.587 ( 3.192 9.286 -0.718) 9.845 11.678 ( 1.599 9.034 3.886) 9.964 11.718 ( 3.332 11.650 0.462) 12.126 12.067 ( -2.153 14.874 -2.520) 15.239 12.303 ( 0.306 5.047 -3.082) 5.921 12.344 ( 3.049 -4.183 5.076) 7.250 12.590 ( 0.402 -2.834 2.544) 3.829 12.816 ( -3.180 -8.493 -5.674) 10.697 13.031 ( -1.232 -3.296 -1.335) 3.764 13.235 ( -3.991 -7.833 -2.188) 9.060 13.433 ( -2.192 -0.663 0.476) 2.339 13.473 ( -1.115 -0.786 0.866) 1.616 13.609 ( 1.966 -3.190 -0.092) 3.748 13.721 ( 1.798 -7.614 -0.430) 7.835 13.815 ( -0.481 1.787 3.951) 4.363 14.028 ( 3.104 -7.076 0.265) 7.731 15.703 ( 2.678 2.155 0.269) 3.448 15.752 ( 2.483 0.217 -0.520) 2.546 16.172 ( -3.425 -0.509 0.014) 3.463 16.194 ( -3.380 -1.115 -0.055) 3.560 20.663 ( -1.480 0.954 -1.249) 2.159 20.683 ( -1.862 0.054 0.205) 1.874 20.800 ( 0.048 2.196 1.274) 2.539 20.864 ( -0.295 -0.244 1.455) 1.504 21.239 ( 4.448 -0.188 0.485) 4.478 21.323 ( 2.490 -3.657 -1.345) 4.624 21.683 ( 2.133 0.765 -0.406) 2.302 21.704 ( 1.842 -0.044 -0.212) 1.855 22.043 ( 1.697 1.568 -0.769) 2.435 22.104 ( -0.283 -1.176 -2.103) 2.426 22.140 ( 0.130 -0.029 0.938) 0.948 22.159 ( 0.652 -0.760 1.552) 1.847 22.606 ( -0.192 1.868 3.450) 3.928 22.684 ( -1.261 -1.183 1.312) 2.171 22.730 ( -2.924 1.083 -1.919) 3.661 22.842 ( -4.204 -3.519 -2.276) 5.936 23.684 ( -0.756 2.726 -0.356) 2.851 23.691 ( 0.220 1.128 -0.649) 1.320 23.780 ( -1.654 2.741 0.490) 3.239 23.820 ( -0.853 2.058 0.139) 2.232 23.911 ( 0.049 2.825 0.223) 2.834 23.932 ( 3.014 5.539 -0.367) 6.317 24.089 ( 0.617 -3.758 -0.432) 3.832 24.205 ( 2.672 -5.025 0.753) 5.741 24.392 ( 1.456 3.510 1.571) 4.112 24.501 ( -0.200 3.774 -2.073) 4.310 24.680 ( 4.765 -8.374 3.257) 10.171 24.769 ( 2.825 -7.726 -2.704) 8.659 ======================= Grid point 26 (17/88) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.526 -3.271 -0.002) 3.313 1.176 ( 0.392 -3.550 -0.008) 3.572 1.249 ( 0.412 0.793 -0.913) 1.277 1.252 ( -3.220 -0.161 0.581) 3.275 1.448 ( 6.566 2.256 -0.346) 6.951 1.544 ( -0.137 -1.973 -1.146) 2.286 1.571 ( 0.893 3.762 -0.730) 3.935 1.678 ( -2.471 0.302 0.907) 2.650 1.718 ( -3.233 -2.161 1.964) 4.356 1.824 ( -2.327 -2.935 1.312) 3.969 1.912 ( -3.285 1.486 1.783) 4.022 1.956 ( 5.867 0.091 -1.926) 6.176 2.138 ( 1.031 2.395 -2.607) 3.687 2.213 ( 5.248 4.072 -1.411) 6.791 2.377 ( -2.902 0.434 2.859) 4.097 2.430 ( 0.784 10.882 -1.524) 11.016 2.477 ( 0.146 7.379 -0.745) 7.418 2.644 ( 0.539 -1.820 -1.456) 2.392 2.818 ( 3.685 -1.479 -1.298) 4.178 2.865 ( 0.668 -0.639 -1.777) 2.003 2.920 ( 4.000 0.052 0.387) 4.019 3.025 ( 2.084 2.629 -2.044) 3.929 3.195 ( 1.482 0.620 -1.213) 2.013 3.225 ( -1.024 0.753 1.221) 1.762 3.260 ( 6.236 -0.900 2.144) 6.655 3.514 ( -3.241 -3.381 0.752) 4.743 3.678 ( 2.688 -12.408 -0.564) 12.708 3.725 ( 2.502 0.848 -0.641) 2.718 3.785 ( 3.801 -3.099 0.487) 4.928 3.886 ( 0.787 3.371 3.333) 4.806 3.950 ( 1.779 -0.096 3.070) 3.549 3.994 ( 3.319 -6.610 1.287) 7.507 4.105 ( 1.208 -8.928 1.479) 9.130 4.164 ( 4.687 -3.034 -3.783) 6.744 4.250 ( -3.059 -3.411 -1.274) 4.756 4.352 ( -5.031 3.561 -0.469) 6.182 4.406 ( 2.518 -5.013 0.582) 5.640 4.507 ( -0.198 -3.742 -0.855) 3.844 4.630 ( -1.138 6.330 2.808) 7.018 4.845 ( 5.126 -3.125 -1.718) 6.245 5.041 ( 1.635 4.864 -0.251) 5.138 5.132 ( -3.661 -0.733 0.491) 3.765 5.249 ( -0.120 3.054 2.184) 3.756 5.276 ( -2.908 2.477 -2.774) 4.721 5.448 ( 2.633 1.436 -0.972) 3.152 5.599 ( -3.461 -4.619 -0.730) 5.818 5.673 ( -1.575 -2.524 1.699) 3.426 5.683 ( -0.660 -4.175 1.304) 4.423 6.025 ( -0.121 10.023 -1.211) 10.097 6.076 ( -0.048 13.197 2.989) 13.531 6.208 ( -5.012 6.170 1.415) 8.074 6.452 ( -0.535 2.600 1.723) 3.164 6.559 ( 2.784 -3.707 -7.438) 8.764 6.738 ( -3.803 3.600 1.557) 5.463 6.789 ( 0.078 -3.678 -0.018) 3.679 6.981 ( -1.401 -3.654 -1.371) 4.147 7.086 ( 1.627 -1.848 -4.664) 5.274 7.169 ( -1.189 9.507 6.281) 11.456 7.208 ( 0.394 -4.492 -0.569) 4.545 7.291 ( -0.292 3.177 -4.279) 5.338 7.500 ( -0.474 2.462 3.527) 4.327 7.523 ( 0.323 1.458 -0.787) 1.688 7.837 ( -0.199 -12.707 1.398) 12.785 7.890 ( -0.364 -11.868 -1.944) 12.031 8.063 ( 1.013 -10.812 3.180) 11.315 8.145 ( -0.891 -13.604 -0.348) 13.638 8.306 ( -0.803 1.129 3.696) 3.947 8.389 ( 0.308 -3.893 -0.909) 4.009 8.458 ( 2.436 -1.338 1.384) 3.105 8.586 ( -0.691 -5.987 -5.776) 8.348 8.843 ( 0.965 3.133 0.582) 3.329 9.025 ( -0.419 -3.840 0.491) 3.894 9.303 ( 1.614 5.043 -1.116) 5.412 9.358 ( -1.352 2.550 0.440) 2.920 9.502 ( -1.491 2.169 0.346) 2.655 9.545 ( -3.609 0.882 0.146) 3.718 10.453 ( 4.213 0.684 -0.475) 4.294 10.514 ( 1.737 -2.227 0.376) 2.850 10.563 ( 2.825 9.663 -0.121) 10.069 10.663 ( 0.456 6.492 -0.047) 6.508 10.679 ( 0.878 8.129 0.289) 8.182 10.744 ( -0.584 2.759 -0.580) 2.879 10.922 ( -3.288 0.137 0.755) 3.376 10.973 ( -0.349 -0.337 -0.607) 0.777 11.640 ( 3.299 8.416 -1.075) 9.103 11.701 ( -0.894 7.222 2.122) 7.580 11.809 ( 4.882 11.507 2.004) 12.659 12.004 ( -3.053 14.808 -2.059) 15.259 12.287 ( 0.139 2.682 -1.954) 3.321 12.446 ( 3.449 -3.156 5.940) 7.559 12.607 ( -0.083 -4.046 1.139) 4.204 12.716 ( -2.866 -4.723 -6.284) 8.367 13.019 ( -0.047 -6.754 0.859) 6.809 13.155 ( -2.889 -7.412 -2.392) 8.307 13.395 ( -1.687 2.132 -0.148) 2.723 13.468 ( -0.333 -2.717 0.535) 2.789 13.636 ( 1.099 -3.221 -0.038) 3.404 13.748 ( 2.134 -8.734 -1.878) 9.184 13.822 ( -1.699 2.643 3.788) 4.921 14.069 ( 1.384 -7.634 0.154) 7.760 15.752 ( 2.373 2.086 0.179) 3.164 15.792 ( 2.080 0.563 -0.339) 2.181 16.116 ( -2.494 -0.615 0.031) 2.569 16.134 ( -2.997 -1.127 -0.052) 3.202 20.632 ( -1.033 0.763 -0.856) 1.543 20.655 ( -1.206 -0.361 -0.124) 1.265 20.812 ( 0.188 2.303 1.083) 2.552 20.867 ( -0.180 0.255 0.619) 0.694 21.309 ( 2.780 -0.812 0.480) 2.936 21.351 ( 1.397 -2.587 -1.034) 3.117 21.712 ( 1.120 0.895 0.111) 1.438 21.730 ( 1.052 0.495 -0.107) 1.168 22.042 ( -0.174 -0.151 -1.474) 1.492 22.086 ( -0.253 -1.346 -1.237) 1.846 22.175 ( 1.744 0.682 2.018) 2.753 22.192 ( 1.374 -0.142 1.365) 1.942 22.612 ( -1.145 1.263 -0.677) 1.835 22.650 ( -1.376 1.152 0.890) 2.003 22.702 ( -0.647 -1.354 0.954) 1.778 22.755 ( -3.430 -3.672 -1.708) 5.307 23.670 ( -0.340 3.260 -0.258) 3.287 23.698 ( 0.578 0.466 -0.251) 0.784 23.755 ( -1.153 2.830 0.021) 3.056 23.798 ( -1.359 0.761 0.011) 1.557 23.916 ( 0.280 4.243 0.075) 4.253 23.979 ( 2.089 6.723 -0.083) 7.041 24.093 ( 0.140 -3.069 -0.316) 3.088 24.241 ( 0.978 -4.239 0.456) 4.374 24.424 ( 0.934 5.179 0.937) 5.345 24.486 ( -0.129 3.897 -0.973) 4.019 24.771 ( 2.911 -10.371 1.157) 10.834 24.807 ( 2.724 -9.985 -0.999) 10.398 ======================= Grid point 27 (18/88) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.007 -1.568 0.002) 1.568 1.176 ( 0.004 -2.338 -0.001) 2.338 1.217 ( 0.004 -1.286 -0.000) 1.286 1.265 ( 0.003 -2.331 -0.000) 2.331 1.522 ( 0.002 1.767 0.000) 1.767 1.545 ( 0.002 -1.854 0.001) 1.854 1.573 ( 0.001 2.388 0.000) 2.388 1.623 ( 0.001 0.091 -0.000) 0.091 1.700 ( 0.000 -1.650 0.000) 1.650 1.813 ( 0.001 -4.532 -0.001) 4.532 1.887 ( 0.003 2.583 0.002) 2.583 2.016 ( 0.016 -4.358 -0.002) 4.358 2.124 ( 0.000 3.129 0.002) 3.129 2.265 ( 0.004 5.632 -0.003) 5.632 2.352 ( -0.001 3.451 0.004) 3.451 2.428 ( 0.003 6.495 -0.003) 6.495 2.475 ( 0.002 10.814 0.002) 10.814 2.635 ( 0.005 0.843 -0.001) 0.843 2.851 ( 0.000 -3.528 -0.002) 3.528 2.863 ( 0.006 2.937 -0.001) 2.937 2.992 ( -0.004 -2.512 -0.006) 2.512 3.010 ( 0.011 1.505 0.001) 1.505 3.180 ( 0.014 3.710 -0.002) 3.710 3.230 ( 0.010 -1.439 0.002) 1.439 3.395 ( 0.008 -13.990 0.002) 13.990 3.441 ( -0.001 5.101 -0.000) 5.101 3.698 ( 0.002 -12.854 -0.002) 12.854 3.761 ( 0.004 0.843 0.006) 0.843 3.832 ( 0.002 8.700 0.002) 8.700 3.866 ( 0.003 -5.553 0.000) 5.553 4.013 ( 0.001 -6.736 -0.001) 6.736 4.049 ( 0.004 -2.100 0.002) 2.100 4.123 ( 0.003 -8.584 -0.001) 8.584 4.192 ( 0.005 -5.451 -0.001) 5.451 4.205 ( -0.007 3.007 0.009) 3.007 4.285 ( 0.009 2.509 -0.005) 2.509 4.432 ( 0.003 -4.280 0.000) 4.280 4.506 ( 0.002 -4.050 -0.001) 4.050 4.628 ( 0.003 7.677 -0.001) 7.677 4.901 ( 0.002 -4.052 -0.001) 4.052 5.060 ( -0.000 4.521 0.001) 4.521 5.071 ( 0.003 0.738 -0.001) 0.738 5.233 ( 0.004 3.046 -0.002) 3.046 5.266 ( 0.005 1.362 0.002) 1.362 5.478 ( 0.003 -0.695 0.000) 0.695 5.553 ( 0.003 -2.038 -0.002) 2.038 5.665 ( 0.008 -2.526 -0.009) 2.526 5.680 ( -0.004 -4.707 0.010) 4.707 6.011 ( 0.000 13.208 0.000) 13.208 6.107 ( 0.001 2.782 0.000) 2.782 6.152 ( 0.000 14.747 0.000) 14.747 6.454 ( 0.001 3.398 -0.002) 3.398 6.558 ( 0.002 -6.061 0.000) 6.061 6.706 ( 0.003 4.092 -0.001) 4.092 6.788 ( 0.000 -3.276 0.002) 3.276 6.964 ( 0.002 -3.566 -0.000) 3.566 7.085 ( 0.002 -1.355 0.000) 1.355 7.182 ( -0.000 8.773 0.000) 8.773 7.211 ( 0.000 -3.095 0.001) 3.095 7.271 ( 0.001 2.912 0.000) 2.912 7.510 ( 0.001 5.472 -0.000) 5.472 7.523 ( 0.000 -1.539 0.002) 1.539 7.840 ( 0.000 -12.702 0.000) 12.702 7.880 ( 0.000 -12.568 -0.000) 12.568 8.101 ( 0.002 -11.315 0.001) 11.315 8.119 ( -0.000 -14.051 0.000) 14.051 8.312 ( 0.002 1.156 -0.004) 1.156 8.389 ( 0.000 -3.374 0.000) 3.374 8.505 ( -0.002 -2.978 -0.008) 2.978 8.539 ( 0.004 -3.528 0.009) 3.528 8.855 ( 0.001 2.503 -0.000) 2.503 9.022 ( 0.002 -3.525 -0.000) 3.525 9.322 ( -0.001 4.525 0.001) 4.525 9.337 ( 0.003 3.159 -0.001) 3.159 9.497 ( 0.000 1.779 -0.000) 1.779 9.507 ( -0.000 1.147 0.000) 1.147 10.495 ( 0.001 0.641 -0.000) 0.641 10.521 ( -0.000 -0.835 0.000) 0.835 10.605 ( -0.000 6.398 0.000) 6.398 10.658 ( 0.001 6.228 -0.000) 6.228 10.687 ( 0.001 7.557 -0.000) 7.557 10.740 ( 0.000 2.757 0.000) 2.757 10.888 ( 0.000 3.452 0.000) 3.452 10.969 ( 0.000 -0.030 0.000) 0.030 11.682 ( 0.004 9.463 -0.002) 9.463 11.685 ( -0.002 6.352 0.001) 6.352 11.886 ( 0.001 7.302 0.000) 7.302 11.945 ( 0.001 17.651 0.000) 17.651 12.281 ( 0.001 2.027 -0.000) 2.027 12.520 ( 0.001 -3.024 0.000) 3.024 12.602 ( 0.001 -6.096 -0.001) 6.096 12.655 ( 0.000 -2.096 0.000) 2.096 13.028 ( 0.000 -8.407 0.000) 8.407 13.114 ( -0.000 -6.574 -0.000) 6.574 13.379 ( 0.001 2.885 -0.000) 2.885 13.466 ( 0.000 -3.066 -0.000) 3.066 13.646 ( 0.003 -3.179 0.000) 3.179 13.764 ( 0.004 -10.761 -0.003) 10.761 13.817 ( -0.002 4.586 0.004) 4.586 14.082 ( 0.000 -7.853 -0.000) 7.853 15.778 ( 0.000 2.118 -0.000) 2.118 15.811 ( 0.000 0.759 0.000) 0.759 16.095 ( 0.000 -0.693 -0.000) 0.693 16.100 ( 0.000 -1.224 0.000) 1.224 20.619 ( 0.001 0.698 0.000) 0.698 20.643 ( 0.001 -0.507 -0.000) 0.507 20.818 ( 0.001 2.277 -0.000) 2.277 20.867 ( 0.001 0.544 0.000) 0.544 21.338 ( -0.000 -1.128 0.000) 1.128 21.358 ( 0.001 -2.186 0.000) 2.186 21.723 ( 0.001 0.930 -0.000) 0.930 21.738 ( 0.001 0.703 -0.000) 0.703 22.033 ( 0.001 -0.463 0.000) 0.463 22.080 ( 0.001 -1.539 -0.000) 1.539 22.201 ( 0.000 1.027 -0.000) 1.027 22.213 ( 0.001 0.033 0.000) 0.033 22.588 ( 0.000 0.908 0.000) 0.908 22.647 ( 0.000 0.714 0.000) 0.714 22.705 ( 0.002 -0.841 0.000) 0.841 22.711 ( -0.001 -3.894 -0.000) 3.894 23.666 ( 0.001 3.584 0.000) 3.584 23.704 ( 0.000 0.111 0.000) 0.111 23.744 ( 0.000 2.911 -0.000) 2.911 23.783 ( 0.000 0.448 -0.000) 0.448 23.919 ( 0.001 4.649 0.000) 4.649 23.998 ( 0.001 6.945 -0.000) 6.945 24.093 ( 0.001 -2.796 0.000) 2.796 24.251 ( 0.001 -3.898 0.000) 3.898 24.436 ( 0.001 6.067 -0.000) 6.067 24.483 ( 0.000 3.796 0.000) 3.796 24.798 ( 0.001 -10.962 0.000) 10.962 24.833 ( 0.001 -11.000 -0.000) 11.000 ======================= Grid point 33 (19/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 -11.793 0.000) 11.793 0.876 ( 0.000 11.793 0.000) 11.793 1.156 ( 0.000 -12.365 0.000) 12.365 1.156 ( 0.000 12.365 0.000) 12.365 1.401 ( 0.000 -4.332 0.000) 4.332 1.401 ( 0.000 4.332 0.000) 4.332 1.588 ( 0.000 -7.681 0.000) 7.681 1.588 ( 0.000 7.681 0.000) 7.681 1.748 ( 0.000 -2.552 0.000) 2.552 1.748 ( 0.000 2.552 0.000) 2.552 1.870 ( 0.000 -10.879 0.000) 10.879 1.870 ( 0.000 10.879 0.000) 10.879 2.105 ( 0.000 -1.587 0.000) 1.587 2.105 ( 0.000 1.587 0.000) 1.587 2.295 ( 0.000 -2.985 0.000) 2.985 2.295 ( 0.000 2.985 0.000) 2.985 2.459 ( 0.000 -0.551 0.000) 0.551 2.459 ( 0.000 0.551 0.000) 0.551 2.718 ( 0.000 -11.173 0.000) 11.173 2.718 ( 0.000 11.173 0.000) 11.173 2.912 ( 0.000 -1.346 0.000) 1.346 2.912 ( 0.000 1.346 0.000) 1.346 3.280 ( 0.000 -2.222 0.000) 2.222 3.280 ( 0.000 2.222 0.000) 2.222 3.380 ( 0.000 -9.889 0.000) 9.889 3.380 ( 0.000 9.889 0.000) 9.889 3.555 ( 0.000 -5.848 0.000) 5.848 3.555 ( 0.000 5.848 0.000) 5.848 3.683 ( 0.000 -2.545 0.000) 2.545 3.683 ( 0.000 2.545 0.000) 2.545 3.826 ( 0.000 -3.011 0.000) 3.011 3.826 ( 0.000 3.011 0.000) 3.011 4.050 ( 0.000 -4.678 0.000) 4.678 4.050 ( 0.000 4.678 0.000) 4.678 4.278 ( 0.000 -4.012 0.000) 4.012 4.278 ( 0.000 4.012 0.000) 4.012 4.427 ( 0.000 -8.065 0.000) 8.065 4.427 ( 0.000 8.065 0.000) 8.065 4.643 ( 0.000 -3.321 0.000) 3.321 4.643 ( 0.000 3.321 0.000) 3.321 4.941 ( 0.000 -7.736 0.000) 7.736 4.941 ( 0.000 7.736 0.000) 7.736 5.428 ( 0.000 -8.078 0.000) 8.078 5.428 ( 0.000 8.078 0.000) 8.078 5.518 ( 0.000 -4.885 0.000) 4.885 5.518 ( 0.000 4.885 0.000) 4.885 5.681 ( 0.000 -7.590 0.000) 7.590 5.681 ( 0.000 7.590 0.000) 7.590 6.164 ( 0.000 -10.225 0.000) 10.225 6.164 ( 0.000 10.225 0.000) 10.225 6.503 ( 0.000 -4.229 0.000) 4.229 6.503 ( 0.000 4.229 0.000) 4.229 6.576 ( 0.000 -2.755 0.000) 2.755 6.576 ( 0.000 2.755 0.000) 2.755 6.948 ( 0.000 -9.415 0.000) 9.415 6.948 ( 0.000 9.415 0.000) 9.415 7.144 ( 0.000 -3.869 0.000) 3.869 7.144 ( 0.000 3.869 0.000) 3.869 7.286 ( 0.000 -7.844 0.000) 7.844 7.286 ( 0.000 7.845 0.000) 7.845 7.662 ( 0.000 -13.981 0.000) 13.981 7.662 ( 0.000 13.981 0.000) 13.981 7.736 ( 0.000 -0.410 0.000) 0.410 7.736 ( 0.000 0.410 0.000) 0.410 8.053 ( 0.000 -1.357 0.000) 1.357 8.053 ( 0.000 1.357 0.000) 1.357 8.271 ( 0.000 -1.181 0.000) 1.181 8.271 ( 0.000 1.181 0.000) 1.181 8.445 ( 0.000 -4.941 0.000) 4.941 8.445 ( 0.000 4.941 0.000) 4.941 8.875 ( 0.000 -4.360 0.000) 4.360 8.875 ( 0.000 4.360 0.000) 4.360 9.389 ( 0.000 -0.020 0.000) 0.020 9.389 ( 0.000 0.020 0.000) 0.020 9.943 ( 0.000 -2.664 0.000) 2.664 9.943 ( 0.000 2.664 0.000) 2.664 10.028 ( 0.000 -3.111 0.000) 3.111 10.028 ( 0.000 3.111 0.000) 3.111 10.668 ( 0.000 -0.526 0.000) 0.526 10.668 ( 0.000 0.526 0.000) 0.526 10.805 ( 0.000 -9.795 0.000) 9.795 10.805 ( 0.000 9.795 0.000) 9.795 10.896 ( 0.000 -10.115 0.000) 10.115 10.896 ( 0.000 10.115 0.000) 10.115 11.668 ( 0.000 -3.315 0.000) 3.315 11.668 ( 0.000 3.315 0.000) 3.315 11.924 ( 0.000 -16.836 0.000) 16.836 11.924 ( 0.000 16.836 0.000) 16.836 12.438 ( 0.000 -7.561 0.000) 7.561 12.438 ( 0.000 7.561 0.000) 7.561 12.627 ( 0.000 -18.125 0.000) 18.125 12.627 ( 0.000 18.125 0.000) 18.125 13.340 ( 0.000 -6.417 0.000) 6.417 13.340 ( 0.000 6.417 0.000) 6.417 13.363 ( 0.000 -1.856 0.000) 1.856 13.363 ( 0.000 1.856 0.000) 1.856 13.632 ( 0.000 -0.187 0.000) 0.187 13.632 ( 0.000 0.187 0.000) 0.187 13.733 ( 0.000 -1.557 0.000) 1.557 13.733 ( 0.000 1.557 0.000) 1.557 15.665 ( 0.000 -1.836 0.000) 1.836 15.665 ( 0.000 1.836 0.000) 1.836 16.279 ( 0.000 -0.156 0.000) 0.156 16.279 ( 0.000 0.156 0.000) 0.156 20.746 ( 0.000 -1.110 0.000) 1.110 20.746 ( 0.000 1.110 0.000) 1.110 20.847 ( 0.000 -0.617 0.000) 0.617 20.847 ( 0.000 0.617 0.000) 0.617 21.094 ( 0.000 -5.824 0.000) 5.824 21.094 ( 0.000 5.824 0.000) 5.824 21.623 ( 0.000 -0.398 0.000) 0.398 21.623 ( 0.000 0.398 0.000) 0.398 22.016 ( 0.000 -3.882 0.000) 3.882 22.016 ( 0.000 3.882 0.000) 3.882 22.213 ( 0.000 -0.994 0.000) 0.994 22.213 ( 0.000 0.994 0.000) 0.994 22.607 ( 0.000 -2.335 0.000) 2.335 22.607 ( 0.000 2.335 0.000) 2.335 22.936 ( 0.000 -2.854 0.000) 2.854 22.936 ( 0.000 2.854 0.000) 2.854 23.735 ( 0.000 -1.948 0.000) 1.948 23.735 ( 0.000 1.948 0.000) 1.948 23.881 ( 0.000 -3.225 0.000) 3.225 23.881 ( 0.000 3.225 0.000) 3.225 23.908 ( 0.000 -5.664 0.000) 5.664 23.908 ( 0.000 5.664 0.000) 5.664 23.948 ( 0.000 -3.087 0.000) 3.087 23.948 ( 0.000 3.087 0.000) 3.087 24.389 ( 0.000 -3.809 0.000) 3.809 24.389 ( 0.000 3.809 0.000) 3.809 24.643 ( 0.000 -4.962 0.000) 4.962 24.643 ( 0.000 4.962 0.000) 4.962 ======================= Grid point 35 (20/88) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 3.148 -7.479 2.775) 8.575 0.913 ( 3.148 7.479 2.775) 8.575 1.211 ( 4.914 -9.694 -1.006) 10.915 1.211 ( 4.914 9.694 -1.006) 10.915 1.406 ( 0.848 -5.744 0.799) 5.861 1.406 ( 0.848 5.744 0.799) 5.861 1.601 ( 1.100 -5.091 -0.655) 5.249 1.601 ( 1.100 5.091 -0.655) 5.249 1.788 ( 3.836 -7.805 1.276) 8.790 1.788 ( 3.836 7.805 1.276) 8.790 1.870 ( 0.199 -9.755 -0.325) 9.763 1.870 ( 0.199 9.755 -0.325) 9.763 2.110 ( -1.042 -3.108 1.826) 3.752 2.110 ( -1.042 3.108 1.826) 3.752 2.302 ( 1.139 -1.426 1.790) 2.557 2.302 ( 1.139 1.426 1.790) 2.557 2.476 ( 2.703 -4.104 -2.473) 5.502 2.476 ( 2.703 4.104 -2.473) 5.502 2.709 ( -0.405 -11.696 -1.245) 11.769 2.709 ( -0.405 11.696 -1.245) 11.769 2.931 ( 2.899 -1.458 -2.054) 3.841 2.931 ( 2.899 1.458 -2.054) 3.841 3.297 ( 0.100 -7.465 3.598) 8.288 3.297 ( 0.100 7.465 3.598) 8.287 3.358 ( -1.765 -11.573 -1.354) 11.785 3.358 ( -1.765 11.573 -1.354) 11.785 3.549 ( -0.414 -3.109 -1.406) 3.437 3.549 ( -0.414 3.109 -1.406) 3.437 3.674 ( -1.098 -1.575 2.018) 2.785 3.674 ( -1.098 1.575 2.018) 2.785 3.821 ( -0.260 -2.173 0.313) 2.211 3.821 ( -0.260 2.173 0.313) 2.211 4.035 ( -1.045 -5.712 -0.676) 5.846 4.035 ( -1.045 5.712 -0.676) 5.846 4.291 ( 1.090 -4.091 -0.433) 4.256 4.291 ( 1.090 4.091 -0.433) 4.256 4.447 ( 2.580 -6.262 -1.440) 6.924 4.447 ( 2.580 6.262 -1.440) 6.924 4.637 ( -1.528 -3.212 3.192) 4.779 4.637 ( -1.528 3.212 3.192) 4.779 4.977 ( 4.192 -7.602 -1.697) 8.845 4.977 ( 4.192 7.602 -1.697) 8.845 5.433 ( -0.189 -8.474 1.119) 8.550 5.433 ( -0.189 8.474 1.119) 8.550 5.513 ( -0.386 -4.679 -0.265) 4.702 5.513 ( -0.386 4.679 -0.265) 4.702 5.673 ( -0.516 -5.902 -0.671) 5.962 5.673 ( -0.516 5.902 -0.671) 5.963 6.164 ( 0.237 -9.925 -0.518) 9.941 6.164 ( 0.237 9.925 -0.518) 9.941 6.495 ( -2.117 -6.239 3.578) 7.497 6.495 ( -2.117 6.239 3.578) 7.497 6.574 ( 1.098 -1.751 -3.378) 3.960 6.574 ( 1.098 1.751 -3.378) 3.960 6.961 ( 0.504 -9.675 1.400) 9.789 6.961 ( 0.504 9.675 1.400) 9.789 7.138 ( 0.145 -4.443 -2.000) 4.875 7.138 ( 0.145 4.443 -2.000) 4.875 7.287 ( -0.404 -7.929 1.289) 8.043 7.287 ( -0.404 7.929 1.289) 8.043 7.656 ( -1.308 -12.511 0.977) 12.617 7.656 ( -1.308 12.511 0.977) 12.617 7.719 ( -1.422 -5.017 0.176) 5.218 7.719 ( -1.422 5.017 0.176) 5.218 8.027 ( -1.666 -2.626 -1.995) 3.695 8.027 ( -1.666 2.626 -1.995) 3.695 8.286 ( 0.808 -2.021 1.501) 2.644 8.286 ( 0.808 2.021 1.501) 2.644 8.449 ( 0.979 -5.596 -1.399) 5.851 8.449 ( 0.979 5.596 -1.399) 5.851 8.885 ( 0.850 -4.669 0.367) 4.760 8.885 ( 0.850 4.669 0.367) 4.760 9.383 ( -0.432 -1.216 -0.434) 1.361 9.383 ( -0.432 1.216 -0.434) 1.361 9.837 ( -7.255 -3.394 -0.220) 8.013 9.837 ( -7.255 3.394 -0.220) 8.013 10.140 ( 7.762 -3.295 0.181) 8.434 10.140 ( 7.762 3.295 0.181) 8.434 10.681 ( 1.435 -1.579 -0.028) 2.133 10.681 ( 1.435 1.579 -0.028) 2.133 10.799 ( -0.530 -9.868 -0.217) 9.884 10.799 ( -0.530 9.868 -0.217) 9.884 10.891 ( -0.498 -9.962 -0.170) 9.976 10.891 ( -0.498 9.962 -0.170) 9.976 11.677 ( 0.658 -3.357 0.826) 3.519 11.677 ( 0.658 3.357 0.826) 3.519 11.940 ( 1.392 -16.817 0.750) 16.891 11.940 ( 1.392 16.817 0.750) 16.891 12.433 ( -0.193 -7.246 -0.549) 7.269 12.433 ( -0.193 7.246 -0.549) 7.269 12.616 ( -0.548 -17.464 -1.300) 17.521 12.616 ( -0.548 17.464 -1.300) 17.521 13.266 ( -4.217 -5.402 -1.961) 7.129 13.266 ( -4.217 5.402 -1.961) 7.129 13.415 ( 2.000 -1.781 1.152) 2.916 13.415 ( 2.000 1.781 1.152) 2.916 13.611 ( -1.988 -1.736 1.437) 3.005 13.611 ( -1.988 1.736 1.437) 3.005 13.775 ( 3.580 -2.639 0.321) 4.459 13.775 ( 3.580 2.639 0.321) 4.459 15.674 ( 1.001 -1.755 -0.086) 2.022 15.674 ( 1.001 1.755 -0.086) 2.022 16.267 ( -1.401 -0.339 0.012) 1.441 16.267 ( -1.401 0.339 0.012) 1.441 20.739 ( -0.700 -0.887 -0.358) 1.186 20.739 ( -0.700 0.887 -0.358) 1.186 20.839 ( -1.175 -1.345 1.539) 2.357 20.839 ( -1.175 1.345 1.539) 2.357 21.125 ( 3.248 -5.082 -0.420) 6.046 21.125 ( 3.248 5.082 -0.420) 6.046 21.632 ( 1.336 -0.577 -0.842) 1.681 21.632 ( 1.336 0.577 -0.842) 1.681 22.028 ( 0.908 -3.635 0.928) 3.860 22.028 ( 0.908 3.635 0.928) 3.860 22.196 ( -0.998 -0.924 -1.756) 2.221 22.196 ( -0.998 0.924 -1.756) 2.221 22.615 ( -0.171 -2.476 2.375) 3.435 22.615 ( -0.171 2.476 2.375) 3.435 22.917 ( -1.585 -2.970 -1.308) 3.611 22.917 ( -1.585 2.970 -1.308) 3.611 23.731 ( -0.437 -1.619 0.003) 1.676 23.731 ( -0.437 1.619 0.003) 1.676 23.869 ( -1.140 -2.113 0.003) 2.401 23.869 ( -1.140 2.113 0.003) 2.401 23.929 ( 2.269 -3.661 -0.110) 4.308 23.929 ( 2.269 3.661 -0.110) 4.308 23.963 ( 1.590 -1.373 0.179) 2.108 23.963 ( 1.590 1.373 0.179) 2.108 24.400 ( 1.038 -4.201 0.662) 4.378 24.400 ( 1.038 4.201 0.662) 4.378 24.640 ( -0.029 -5.050 -0.801) 5.113 24.640 ( -0.029 5.050 -0.801) 5.113 ======================= Grid point 37 (21/88) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 3.544 -4.703 3.063) 6.637 1.003 ( 3.544 4.703 3.063) 6.638 1.284 ( 3.221 -7.001 0.923) 7.762 1.284 ( 3.221 7.001 0.923) 7.762 1.426 ( 1.026 -7.139 -2.351) 7.585 1.426 ( 1.026 7.139 -2.351) 7.585 1.625 ( 1.661 -3.745 0.981) 4.213 1.625 ( 1.661 3.745 0.981) 4.213 1.859 ( -0.080 -1.623 0.511) 1.703 1.859 ( -0.080 1.623 0.511) 1.703 1.891 ( 4.088 -2.309 0.397) 4.712 1.891 ( 4.088 2.309 0.397) 4.712 2.084 ( -2.273 -3.054 2.621) 4.622 2.084 ( -2.273 3.054 2.621) 4.622 2.379 ( 5.418 -1.931 0.954) 5.831 2.379 ( 5.418 1.931 0.954) 5.831 2.521 ( 4.707 -7.131 -2.757) 8.978 2.521 ( 4.707 7.131 -2.757) 8.978 2.690 ( -0.104 -11.281 -2.435) 11.541 2.690 ( -0.104 11.281 -2.435) 11.541 2.977 ( 3.736 -0.834 -2.821) 4.755 2.977 ( 3.736 0.834 -2.821) 4.755 3.292 ( -2.713 -3.073 -1.099) 4.244 3.292 ( -2.713 3.073 -1.099) 4.244 3.334 ( -0.763 -8.521 3.776) 9.351 3.334 ( -0.763 8.521 3.776) 9.351 3.535 ( 0.944 -0.869 -1.824) 2.231 3.535 ( 0.944 0.870 -1.824) 2.231 3.681 ( -0.490 -4.461 4.050) 6.045 3.681 ( -0.490 4.461 4.050) 6.045 3.837 ( 1.800 -2.086 0.612) 2.822 3.837 ( 1.800 2.086 0.612) 2.822 4.022 ( 0.980 -6.300 -1.617) 6.577 4.022 ( 0.980 6.300 -1.617) 6.577 4.297 ( -0.147 -2.380 -0.626) 2.465 4.297 ( -0.147 2.380 -0.626) 2.465 4.478 ( 1.016 -3.497 -0.547) 3.683 4.478 ( 1.016 3.497 -0.547) 3.683 4.652 ( 0.929 -2.501 3.123) 4.108 4.652 ( 0.929 2.501 3.123) 4.108 5.046 ( 4.590 -6.641 -2.268) 8.386 5.046 ( 4.590 6.642 -2.268) 8.386 5.420 ( -2.630 -8.149 1.529) 8.699 5.420 ( -2.630 8.149 1.529) 8.699 5.508 ( 0.171 -6.101 -0.471) 6.121 5.508 ( 0.171 6.101 -0.471) 6.121 5.659 ( -0.418 -2.690 -0.584) 2.784 5.659 ( -0.418 2.690 -0.584) 2.784 6.164 ( -0.082 -8.786 -0.181) 8.789 6.164 ( -0.082 8.786 -0.181) 8.789 6.485 ( -2.684 -7.905 6.101) 10.340 6.485 ( -2.684 7.905 6.101) 10.340 6.566 ( 1.798 -2.551 -6.003) 6.766 6.566 ( 1.798 2.551 -6.003) 6.766 6.967 ( -1.607 -9.075 1.612) 9.356 6.967 ( -1.607 9.075 1.612) 9.356 7.124 ( 1.053 -4.153 -4.521) 6.229 7.124 ( 1.053 4.153 -4.521) 6.229 7.291 ( -0.705 -7.356 2.952) 7.957 7.291 ( -0.705 7.356 2.952) 7.957 7.624 ( -2.861 -6.411 1.811) 7.250 7.624 ( -2.861 6.411 1.811) 7.250 7.703 ( -0.229 -7.577 -0.711) 7.613 7.703 ( -0.229 7.577 -0.711) 7.613 7.983 ( -1.554 -3.951 -1.343) 4.453 7.983 ( -1.554 3.951 -1.343) 4.453 8.312 ( 0.019 -2.653 3.125) 4.099 8.312 ( 0.019 2.653 3.125) 4.099 8.458 ( 2.005 -6.421 -3.532) 7.598 8.458 ( 2.005 6.421 -3.532) 7.598 8.905 ( 0.930 -5.227 0.529) 5.335 8.905 ( 0.930 5.227 0.529) 5.335 9.372 ( -0.236 -2.049 -0.633) 2.158 9.372 ( -0.236 2.049 -0.633) 2.158 9.711 ( -6.534 -3.044 0.036) 7.209 9.711 ( -6.534 3.044 0.036) 7.209 10.277 ( 7.247 -2.878 0.041) 7.797 10.277 ( 7.247 2.878 0.041) 7.797 10.711 ( 1.506 -3.797 0.050) 4.085 10.711 ( 1.506 3.797 0.050) 4.085 10.788 ( -0.207 -9.304 -0.353) 9.313 10.788 ( -0.207 9.304 -0.353) 9.313 10.880 ( -0.509 -9.395 -0.164) 9.410 10.880 ( -0.509 9.395 -0.164) 9.410 11.702 ( 1.274 -3.454 1.229) 3.881 11.702 ( 1.274 3.454 1.229) 3.881 11.979 ( 2.093 -16.423 0.993) 16.586 11.979 ( 2.093 16.423 0.993) 16.586 12.426 ( -0.067 -5.219 -0.898) 5.296 12.426 ( -0.067 5.219 -0.898) 5.296 12.593 ( -1.092 -14.778 -0.860) 14.843 12.593 ( -1.092 14.778 -0.860) 14.843 13.173 ( -4.054 -6.549 -2.984) 8.260 13.173 ( -4.054 6.549 -2.984) 8.260 13.440 ( 0.209 -2.814 0.600) 2.885 13.440 ( 0.209 2.814 0.600) 2.885 13.598 ( -0.723 -3.248 1.800) 3.783 13.598 ( -0.723 3.248 1.800) 3.783 13.843 ( 3.192 -4.372 1.037) 5.512 13.843 ( 3.192 4.372 1.037) 5.512 15.699 ( 1.960 -1.562 -0.134) 2.510 15.699 ( 1.960 1.562 -0.134) 2.510 16.230 ( -2.665 -0.560 -0.010) 2.723 16.230 ( -2.665 0.560 -0.010) 2.723 20.715 ( -1.545 -0.534 -0.636) 1.754 20.715 ( -1.545 0.534 -0.636) 1.754 20.835 ( -0.707 -1.795 2.145) 2.885 20.835 ( -0.707 1.795 2.145) 2.885 21.191 ( 4.251 -3.700 -0.599) 5.667 21.191 ( 4.251 3.700 -0.599) 5.667 21.659 ( 2.295 -0.625 -0.847) 2.525 21.659 ( 2.295 0.625 -0.847) 2.525 22.058 ( 1.467 -2.918 0.855) 3.376 22.058 ( 1.467 2.918 0.855) 3.376 22.160 ( -1.340 -0.663 -1.756) 2.306 22.160 ( -1.340 0.663 -1.756) 2.306 22.631 ( -0.399 -2.502 3.508) 4.327 22.631 ( -0.399 2.502 3.508) 4.327 22.860 ( -3.161 -3.139 -2.482) 5.100 22.860 ( -3.161 3.139 -2.482) 5.100 23.720 ( -0.621 -0.846 -0.348) 1.106 23.720 ( -0.621 0.846 -0.348) 1.106 23.846 ( -1.488 -1.195 0.310) 1.933 23.846 ( -1.488 1.195 0.310) 1.933 23.970 ( 2.063 -3.491 -0.356) 4.070 23.970 ( 2.063 3.491 -0.356) 4.070 24.010 ( 3.424 -5.712 0.383) 6.671 24.010 ( 3.424 5.712 0.383) 6.671 24.437 ( 2.290 -5.322 1.393) 5.959 24.437 ( 2.290 5.322 1.393) 5.959 24.632 ( 0.083 -5.359 -1.441) 5.550 24.632 ( 0.083 5.359 -1.441) 5.550 ======================= Grid point 39 (22/88) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 2.015 -3.636 0.715) 4.218 1.065 ( 2.015 3.636 0.715) 4.218 1.307 ( -2.512 -3.141 1.227) 4.205 1.307 ( -2.512 3.141 1.227) 4.205 1.440 ( 3.559 -6.270 -2.180) 7.532 1.440 ( 3.559 6.270 -2.180) 7.532 1.657 ( 0.644 -3.998 0.878) 4.144 1.657 ( 0.644 3.999 0.878) 4.144 1.819 ( -4.063 -4.476 0.160) 6.047 1.819 ( -4.063 4.476 0.160) 6.047 1.935 ( -0.317 -2.658 1.864) 3.262 1.935 ( -0.317 2.658 1.864) 3.262 2.123 ( 5.074 -1.772 -0.358) 5.387 2.123 ( 5.074 1.772 -0.358) 5.387 2.460 ( 2.330 -7.188 0.015) 7.556 2.460 ( 2.330 7.188 0.015) 7.556 2.609 ( 5.381 -10.003 -0.448) 11.367 2.609 ( 5.381 10.003 -0.447) 11.367 2.688 ( 3.598 -10.065 -4.149) 11.466 2.688 ( 3.598 10.066 -4.149) 11.466 3.012 ( 1.595 -3.113 -1.237) 3.710 3.012 ( 1.595 3.113 -1.237) 3.710 3.239 ( -1.445 -3.215 -2.104) 4.105 3.239 ( -1.445 3.215 -2.104) 4.105 3.340 ( -1.045 -14.971 2.492) 15.213 3.340 ( -1.045 14.971 2.492) 15.213 3.560 ( 1.813 -5.966 0.711) 6.276 3.560 ( 1.813 5.967 0.711) 6.276 3.724 ( 2.015 -4.924 4.535) 6.990 3.724 ( 2.015 4.924 4.535) 6.991 3.892 ( 3.832 -3.421 0.599) 5.172 3.892 ( 3.832 3.421 0.599) 5.172 4.054 ( 3.699 -5.360 -1.972) 6.805 4.054 ( 3.699 5.360 -1.972) 6.805 4.279 ( -0.936 -1.342 -1.084) 1.962 4.279 ( -0.936 1.342 -1.084) 1.962 4.472 ( -1.333 -2.338 0.063) 2.692 4.472 ( -1.333 2.338 0.063) 2.692 4.706 ( 2.420 -3.691 2.487) 5.066 4.706 ( 2.420 3.691 2.487) 5.066 5.100 ( 3.079 -4.759 -2.198) 6.079 5.100 ( 3.079 4.759 -2.198) 6.079 5.364 ( -4.237 -4.614 1.020) 6.347 5.364 ( -4.237 4.614 1.020) 6.347 5.503 ( -0.591 -6.205 -0.214) 6.237 5.503 ( -0.591 6.205 -0.214) 6.237 5.653 ( -0.121 -1.055 -0.095) 1.067 5.653 ( -0.121 1.055 -0.095) 1.067 6.155 ( -1.074 -6.352 0.649) 6.474 6.155 ( -1.074 6.352 0.649) 6.474 6.485 ( -2.708 -6.781 7.300) 10.325 6.485 ( -2.708 6.781 7.300) 10.325 6.556 ( 2.572 -8.521 -7.912) 11.909 6.556 ( 2.572 8.521 -7.912) 11.909 6.921 ( -3.837 -7.676 0.548) 8.599 6.921 ( -3.837 7.676 0.548) 8.599 7.113 ( 1.372 -3.640 -4.855) 6.222 7.113 ( 1.372 3.640 -4.855) 6.222 7.308 ( -0.048 -5.514 3.582) 6.575 7.308 ( -0.048 5.514 3.582) 6.575 7.595 ( -1.603 -5.044 1.591) 5.527 7.595 ( -1.603 5.044 1.591) 5.527 7.691 ( -0.342 -7.884 -1.719) 8.077 7.691 ( -0.342 7.884 -1.719) 8.077 7.960 ( -0.790 -4.157 0.674) 4.285 7.960 ( -0.790 4.157 0.674) 4.285 8.330 ( -0.946 -2.395 4.445) 5.137 8.330 ( -0.946 2.395 4.445) 5.137 8.470 ( 2.615 -5.888 -5.120) 8.229 8.470 ( 2.615 5.888 -5.120) 8.229 8.923 ( 0.582 -5.440 0.501) 5.494 8.923 ( 0.582 5.440 0.501) 5.494 9.367 ( 0.219 -2.165 -0.591) 2.255 9.367 ( 0.219 2.165 -0.591) 2.255 9.607 ( -5.030 -2.334 0.321) 5.554 9.607 ( -5.030 2.334 0.321) 5.554 10.394 ( 5.696 -2.342 -0.064) 6.159 10.394 ( 5.696 2.342 -0.064) 6.159 10.723 ( -0.487 -3.830 0.480) 3.891 10.723 ( -0.487 3.830 0.480) 3.891 10.796 ( 1.508 -7.002 -0.875) 7.216 10.796 ( 1.508 7.002 -0.875) 7.216 10.872 ( -0.246 -8.668 0.115) 8.672 10.872 ( -0.246 8.668 0.115) 8.672 11.737 ( 1.480 -3.181 1.165) 3.697 11.737 ( 1.480 3.181 1.165) 3.697 12.025 ( 2.175 -14.637 0.884) 14.824 12.025 ( 2.175 14.637 0.884) 14.824 12.417 ( 0.068 -1.620 -1.554) 2.246 12.417 ( 0.068 1.620 -1.554) 2.246 12.571 ( -1.349 -9.906 1.145) 10.063 12.571 ( -1.349 9.906 1.145) 10.063 13.083 ( -3.216 -6.528 -3.701) 8.164 13.083 ( -3.216 6.528 -3.701) 8.164 13.438 ( -0.511 -2.379 0.323) 2.455 13.438 ( -0.511 2.379 0.323) 2.455 13.605 ( 0.151 -3.339 1.236) 3.564 13.605 ( 0.151 3.339 1.236) 3.564 13.897 ( 1.766 -5.623 1.224) 6.019 13.897 ( 1.766 5.623 1.224) 6.019 15.741 ( 2.645 -1.347 -0.125) 2.970 15.741 ( 2.645 1.347 -0.125) 2.970 16.174 ( -3.402 -0.667 -0.029) 3.467 16.174 ( -3.402 0.667 -0.029) 3.467 20.679 ( -1.779 -0.523 -0.816) 2.026 20.679 ( -1.779 0.523 -0.816) 2.026 20.843 ( -0.168 -1.803 1.956) 2.666 20.843 ( -0.168 1.803 1.956) 2.666 21.260 ( 3.753 -2.309 -0.629) 4.451 21.260 ( 3.753 2.309 -0.629) 4.451 21.697 ( 2.235 -0.567 -0.332) 2.329 21.697 ( 2.235 0.567 -0.332) 2.329 22.075 ( 0.183 -1.619 -1.643) 2.314 22.075 ( 0.183 1.619 -1.643) 2.314 22.146 ( 0.641 -0.527 1.416) 1.641 22.146 ( 0.641 0.527 1.416) 1.641 22.647 ( -0.519 -2.145 3.099) 3.805 22.647 ( -0.519 2.145 3.099) 3.805 22.774 ( -3.986 -3.032 -2.848) 5.761 22.774 ( -3.986 3.032 -2.848) 5.761 23.707 ( -0.349 -0.169 -0.498) 0.631 23.707 ( -0.349 0.169 -0.498) 0.631 23.820 ( -1.634 -1.183 0.263) 2.034 23.820 ( -1.634 1.183 0.263) 2.034 23.998 ( 1.302 -5.070 -0.364) 5.247 23.998 ( 1.302 5.070 -0.364) 5.247 24.078 ( 3.411 -7.461 0.372) 8.212 24.078 ( 3.411 7.461 0.372) 8.212 24.498 ( 3.076 -6.474 1.749) 7.378 24.498 ( 3.076 6.474 1.749) 7.378 24.625 ( 0.309 -5.746 -1.627) 5.980 24.625 ( 0.309 5.746 -1.627) 5.980 ======================= Grid point 41 (23/88) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 1.381 -2.899 -0.549) 3.257 1.095 ( 1.381 2.899 -0.549) 3.257 1.250 ( -2.997 -0.262 0.005) 3.009 1.250 ( -2.997 0.262 0.005) 3.009 1.497 ( 3.143 -2.675 -0.679) 4.183 1.497 ( 3.143 2.675 -0.679) 4.183 1.656 ( -1.122 -3.976 0.458) 4.156 1.656 ( -1.122 3.976 0.458) 4.157 1.741 ( -3.898 -4.594 0.256) 6.030 1.741 ( -3.898 4.594 0.256) 6.030 1.938 ( -0.292 -1.531 1.310) 2.036 1.938 ( -0.292 1.531 1.310) 2.036 2.196 ( 3.297 -4.053 -2.372) 5.737 2.196 ( 3.296 4.053 -2.372) 5.738 2.467 ( -0.591 -7.045 -0.117) 7.071 2.467 ( -0.591 7.045 -0.117) 7.071 2.679 ( 3.259 -9.773 -0.566) 10.317 2.679 ( 3.259 9.773 -0.566) 10.317 2.765 ( 5.377 -8.847 -1.615) 10.478 2.765 ( 5.377 8.847 -1.615) 10.478 3.016 ( -1.093 -5.690 1.036) 5.886 3.016 ( -1.093 5.690 1.036) 5.886 3.211 ( 0.014 -2.431 -2.223) 3.294 3.211 ( 0.014 2.432 -2.222) 3.294 3.343 ( 0.139 -14.543 0.818) 14.567 3.343 ( 0.139 14.543 0.818) 14.567 3.596 ( 1.008 -10.094 1.439) 10.245 3.596 ( 1.008 10.094 1.439) 10.246 3.813 ( 4.338 -6.547 3.599) 8.639 3.813 ( 4.338 6.547 3.599) 8.639 3.969 ( 3.415 -3.349 0.905) 4.868 3.969 ( 3.415 3.349 0.905) 4.868 4.086 ( -0.585 -7.630 -0.787) 7.693 4.086 ( -0.585 7.630 -0.787) 7.693 4.279 ( 4.056 -6.431 -3.571) 8.400 4.279 ( 4.056 6.431 -3.571) 8.400 4.434 ( -3.266 -3.903 0.710) 5.139 4.434 ( -3.266 3.903 0.710) 5.139 4.760 ( 1.576 -5.656 2.010) 6.206 4.760 ( 1.576 5.656 2.010) 6.206 5.122 ( 0.651 -2.176 -1.123) 2.534 5.122 ( 0.651 2.176 -1.123) 2.534 5.301 ( -2.638 -0.854 0.028) 2.773 5.301 ( -2.638 0.854 0.028) 2.773 5.487 ( -1.002 -4.150 0.207) 4.274 5.487 ( -1.002 4.150 0.207) 4.274 5.647 ( -0.485 -0.539 -0.063) 0.728 5.647 ( -0.485 0.539 -0.063) 0.728 6.136 ( -1.452 -3.058 0.847) 3.490 6.136 ( -1.452 3.058 0.847) 3.490 6.488 ( -1.876 -3.772 4.932) 6.486 6.488 ( -1.876 3.772 4.932) 6.486 6.548 ( 2.085 -15.772 -5.904) 16.969 6.548 ( 2.085 15.772 -5.904) 16.969 6.860 ( -2.648 -7.810 -0.023) 8.247 6.860 ( -2.648 7.810 -0.023) 8.247 7.105 ( 0.717 -3.533 -2.646) 4.472 7.105 ( 0.717 3.533 -2.646) 4.472 7.333 ( 0.345 -3.032 2.178) 3.749 7.333 ( 0.345 3.033 2.178) 3.749 7.589 ( -0.153 -5.280 1.002) 5.376 7.589 ( -0.153 5.280 1.002) 5.376 7.669 ( -0.601 -5.434 -1.595) 5.695 7.669 ( -0.601 5.434 -1.595) 5.695 7.956 ( -0.470 -2.714 1.076) 2.957 7.956 ( -0.470 2.714 1.076) 2.957 8.343 ( -0.841 -1.966 3.716) 4.287 8.343 ( -0.841 1.966 3.716) 4.287 8.478 ( 1.939 -3.687 -4.112) 5.853 8.478 ( 1.939 3.687 -4.112) 5.853 8.933 ( 0.246 -5.101 0.325) 5.117 8.933 ( 0.246 5.101 0.325) 5.117 9.369 ( 0.313 -1.470 -0.391) 1.552 9.369 ( 0.313 1.470 -0.391) 1.552 9.539 ( -2.770 -1.353 0.348) 3.102 9.539 ( -2.770 1.353 0.348) 3.102 10.475 ( 3.235 -1.560 -0.089) 3.593 10.475 ( 3.235 1.560 -0.089) 3.593 10.711 ( -0.874 -2.907 0.438) 3.067 10.711 ( -0.874 2.907 0.438) 3.067 10.817 ( 1.300 -7.035 -0.847) 7.204 10.817 ( 1.300 7.035 -0.847) 7.204 10.872 ( -0.061 -8.174 0.324) 8.181 10.872 ( -0.061 8.174 0.324) 8.181 11.767 ( 0.993 -2.036 0.718) 2.377 11.767 ( 0.993 2.036 0.718) 2.377 12.064 ( 1.471 -10.706 0.561) 10.822 12.064 ( 1.471 10.706 0.561) 10.822 12.407 ( 0.153 -8.858 -1.535) 8.991 12.407 ( 0.153 8.858 -1.535) 8.991 12.561 ( -1.085 -6.954 1.936) 7.300 12.561 ( -1.085 6.954 1.936) 7.300 13.013 ( -1.766 -5.399 -2.794) 6.330 13.013 ( -1.766 5.399 -2.794) 6.330 13.431 ( -0.429 -1.782 0.174) 1.841 13.431 ( -0.429 1.782 0.174) 1.841 13.616 ( 0.324 -2.701 0.500) 2.766 13.616 ( 0.324 2.701 0.500) 2.766 13.924 ( 0.565 -6.469 0.788) 6.542 13.924 ( 0.565 6.469 0.788) 6.542 15.787 ( 2.342 -1.120 -0.073) 2.597 15.787 ( 2.342 1.120 -0.073) 2.597 16.115 ( -2.829 -0.538 -0.019) 2.880 16.115 ( -2.829 0.538 -0.019) 2.880 20.646 ( -1.189 -0.574 -0.629) 1.463 20.646 ( -1.189 0.574 -0.629) 1.463 20.853 ( 0.026 -1.585 1.176) 1.974 20.853 ( 0.026 1.585 1.176) 1.974 21.311 ( 2.214 -1.128 -0.435) 2.522 21.311 ( 2.214 1.128 -0.435) 2.522 21.728 ( 1.233 -0.572 -0.014) 1.359 21.728 ( 1.233 0.572 -0.014) 1.359 22.056 ( -0.490 -1.387 -1.388) 2.022 22.056 ( -0.490 1.387 -1.388) 2.022 22.187 ( 1.738 -0.461 1.844) 2.576 22.187 ( 1.738 0.461 1.844) 2.576 22.648 ( -1.181 -1.899 0.078) 2.238 22.648 ( -1.181 1.899 0.078) 2.238 22.697 ( -2.313 -1.801 -0.453) 2.966 22.697 ( -2.313 1.801 -0.453) 2.966 23.702 ( 0.110 -0.323 -0.268) 0.434 23.702 ( 0.110 0.323 -0.268) 0.434 23.793 ( -1.326 -1.060 0.004) 1.698 23.793 ( -1.326 1.060 0.004) 1.698 24.013 ( 0.623 -4.867 -0.224) 4.912 24.013 ( 0.623 4.867 -0.224) 4.912 24.128 ( 1.850 -7.053 0.213) 7.295 24.128 ( 1.850 7.053 0.213) 7.295 24.562 ( 2.467 -6.233 1.388) 6.845 24.562 ( 2.467 6.233 1.388) 6.845 24.619 ( 0.170 -5.695 -1.249) 5.833 24.619 ( 0.170 5.695 -1.249) 5.833 ======================= Grid point 43 (24/88) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.008 -2.852 0.001) 2.852 1.106 ( 0.008 2.852 0.000) 2.852 1.222 ( 0.004 -1.680 -0.000) 1.680 1.222 ( 0.004 1.680 -0.001) 1.680 1.527 ( 0.002 -0.061 0.000) 0.061 1.527 ( 0.002 0.061 0.000) 0.061 1.640 ( 0.001 -4.012 0.001) 4.012 1.640 ( 0.001 4.012 0.001) 4.012 1.706 ( 0.001 -5.729 -0.000) 5.729 1.706 ( 0.001 5.729 -0.000) 5.729 1.941 ( 0.006 -3.027 0.000) 3.027 1.941 ( 0.006 3.027 0.000) 3.027 2.213 ( 0.006 -5.380 0.001) 5.380 2.213 ( 0.006 5.381 0.001) 5.381 2.460 ( 0.003 -5.648 0.000) 5.648 2.460 ( 0.003 5.648 0.000) 5.648 2.709 ( 0.005 -10.516 -0.001) 10.516 2.709 ( 0.005 10.516 -0.001) 10.516 2.814 ( -0.004 -11.513 -0.000) 11.513 2.814 ( -0.004 11.513 -0.000) 11.513 3.003 ( 0.008 -4.529 -0.005) 4.529 3.003 ( 0.008 4.529 -0.005) 4.529 3.205 ( 0.009 -0.832 0.003) 0.832 3.205 ( 0.009 0.832 0.003) 0.832 3.349 ( 0.005 -13.500 -0.003) 13.500 3.349 ( 0.005 13.501 -0.003) 13.501 3.611 ( 0.002 -11.052 0.001) 11.052 3.611 ( 0.002 11.052 0.001) 11.052 3.889 ( 0.003 -7.854 0.005) 7.854 3.889 ( 0.003 7.854 0.005) 7.854 4.002 ( 0.005 -2.584 -0.002) 2.584 4.002 ( 0.005 2.584 -0.002) 2.584 4.053 ( 0.001 -8.151 0.002) 8.151 4.053 ( 0.001 8.151 0.002) 8.151 4.350 ( -0.014 -0.082 0.006) 0.083 4.350 ( -0.014 0.082 0.005) 0.083 4.372 ( 0.018 -5.219 -0.006) 5.219 4.372 ( 0.018 5.219 -0.006) 5.219 4.782 ( 0.002 -6.937 -0.001) 6.937 4.782 ( 0.002 6.937 -0.001) 6.937 5.119 ( 0.002 -0.195 -0.000) 0.195 5.119 ( 0.002 0.195 -0.000) 0.195 5.278 ( 0.004 -0.807 0.000) 0.807 5.278 ( 0.004 0.807 0.000) 0.807 5.477 ( 0.004 -2.549 -0.000) 2.549 5.477 ( 0.004 2.549 -0.000) 2.549 5.640 ( 0.002 -0.135 0.000) 0.135 5.640 ( 0.002 0.135 0.000) 0.135 6.124 ( 0.001 -1.262 0.000) 1.262 6.124 ( 0.001 1.262 0.000) 1.262 6.489 ( 0.002 -1.647 -0.003) 1.647 6.489 ( 0.002 1.647 -0.003) 1.648 6.546 ( -0.000 -18.645 0.003) 18.645 6.546 ( -0.000 18.645 0.003) 18.645 6.836 ( 0.003 -8.302 -0.000) 8.302 6.836 ( 0.003 8.302 -0.000) 8.302 7.102 ( -0.000 -3.441 0.001) 3.441 7.102 ( -0.000 3.441 0.001) 3.441 7.345 ( 0.000 -0.524 -0.000) 0.524 7.345 ( 0.000 0.524 -0.000) 0.524 7.594 ( 0.000 -4.891 0.001) 4.891 7.594 ( 0.000 4.891 0.001) 4.891 7.655 ( 0.000 -0.456 0.000) 0.456 7.655 ( 0.000 0.456 0.000) 0.456 7.956 ( 0.000 -0.198 0.001) 0.198 7.956 ( 0.000 0.198 0.001) 0.198 8.349 ( 0.002 -1.857 -0.005) 1.857 8.349 ( 0.002 1.857 -0.005) 1.857 8.481 ( 0.000 -1.149 0.004) 1.149 8.481 ( 0.000 1.149 0.004) 1.149 8.936 ( 0.001 -4.780 -0.000) 4.780 8.936 ( 0.001 4.780 -0.000) 4.780 9.371 ( 0.001 -0.195 -0.000) 0.195 9.371 ( 0.001 0.195 -0.000) 0.195 9.515 ( 0.000 -0.244 0.000) 0.244 9.515 ( 0.000 0.244 0.000) 0.244 10.505 ( 0.000 -0.527 0.000) 0.527 10.505 ( 0.000 0.527 0.000) 0.527 10.704 ( 0.000 -2.607 0.000) 2.607 10.704 ( 0.000 2.607 -0.000) 2.607 10.826 ( 0.000 -7.266 0.000) 7.266 10.826 ( 0.000 7.266 0.000) 7.266 10.873 ( 0.001 -8.017 0.000) 8.017 10.873 ( 0.001 8.017 -0.000) 8.017 11.779 ( 0.001 -0.689 -0.000) 0.689 11.779 ( 0.001 0.689 -0.000) 0.689 12.080 ( 0.001 -7.617 0.000) 7.617 12.080 ( 0.001 7.617 0.000) 7.617 12.403 ( 0.001 -12.475 0.000) 12.475 12.403 ( 0.001 12.475 0.000) 12.475 12.558 ( 0.001 -6.318 -0.000) 6.318 12.558 ( 0.001 6.318 -0.000) 6.318 12.986 ( -0.000 -4.378 0.000) 4.378 12.986 ( -0.000 4.378 0.000) 4.378 13.427 ( 0.000 -1.609 -0.000) 1.609 13.427 ( 0.000 1.609 -0.000) 1.609 13.621 ( 0.002 -2.349 0.000) 2.349 13.621 ( 0.002 2.349 0.000) 2.349 13.931 ( 0.000 -6.804 0.000) 6.804 13.931 ( 0.000 6.804 0.000) 6.804 15.811 ( 0.000 -0.928 0.000) 0.928 15.811 ( 0.000 0.928 -0.000) 0.928 16.086 ( 0.000 -0.053 -0.000) 0.053 16.086 ( 0.000 0.053 -0.000) 0.053 20.632 ( 0.001 -0.593 0.000) 0.593 20.632 ( 0.001 0.593 0.000) 0.593 20.858 ( 0.001 -1.431 -0.000) 1.431 20.858 ( 0.001 1.431 -0.000) 1.431 21.330 ( 0.000 -0.470 0.000) 0.470 21.330 ( 0.000 0.470 0.000) 0.470 21.739 ( 0.001 -0.550 -0.000) 0.550 21.739 ( 0.001 0.550 -0.000) 0.550 22.046 ( 0.001 -1.497 0.000) 1.497 22.046 ( 0.001 1.497 0.000) 1.497 22.213 ( 0.001 -0.179 -0.000) 0.179 22.213 ( 0.001 0.180 -0.000) 0.180 22.626 ( 0.000 -2.605 0.000) 2.605 22.626 ( 0.000 2.605 0.000) 2.605 22.684 ( 0.000 -0.970 0.000) 0.970 22.684 ( 0.000 0.970 0.000) 0.970 23.704 ( 0.000 -0.465 0.000) 0.465 23.704 ( 0.000 0.465 0.000) 0.465 23.780 ( 0.000 -0.867 -0.000) 0.867 23.780 ( 0.000 0.867 -0.000) 0.867 24.017 ( 0.001 -4.700 -0.000) 4.700 24.017 ( 0.001 4.700 -0.000) 4.700 24.146 ( 0.001 -6.718 0.000) 6.718 24.146 ( 0.001 6.718 0.000) 6.718 24.595 ( 0.001 -8.980 -0.000) 8.980 24.595 ( 0.001 8.980 -0.000) 8.980 24.612 ( 0.001 -9.940 0.000) 9.940 24.612 ( 0.001 9.940 0.000) 9.940 ======================= Grid point 77 (25/88) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -8.685 0.000 21.568) 23.251 0.472 ( -6.689 0.000 23.718) 24.644 0.725 ( -2.876 0.000 34.859) 34.977 1.043 ( 3.804 0.000 -6.391) 7.437 1.204 ( -0.009 0.000 -11.776) 11.776 1.440 ( -1.697 0.000 1.126) 2.036 1.507 ( 0.468 0.000 -3.299) 3.332 1.591 ( 0.302 0.000 1.472) 1.503 1.728 ( 9.193 0.000 -11.989) 15.107 1.781 ( 1.974 0.000 -7.625) 7.877 1.933 ( -0.029 0.000 1.653) 1.653 1.970 ( -0.494 0.000 0.196) 0.531 2.132 ( 0.457 0.000 2.541) 2.581 2.134 ( 1.027 0.000 0.238) 1.055 2.239 ( 2.737 0.000 -1.357) 3.055 2.292 ( -2.951 0.000 -0.856) 3.072 2.426 ( -1.279 0.000 8.739) 8.833 2.679 ( -10.313 0.000 -3.053) 10.755 2.737 ( 8.464 0.000 -0.972) 8.520 2.749 ( 0.824 0.000 -1.917) 2.087 2.852 ( -6.214 0.000 8.008) 10.136 2.955 ( 3.842 0.000 -0.007) 3.842 2.960 ( -1.171 0.000 8.616) 8.695 3.129 ( -3.897 0.000 0.267) 3.906 3.345 ( 2.188 0.000 -1.786) 2.824 3.436 ( 8.561 0.000 -2.919) 9.044 3.534 ( 3.321 0.000 -12.513) 12.946 3.628 ( -10.740 0.000 3.071) 11.170 3.628 ( -2.389 0.000 -6.239) 6.681 3.845 ( 5.867 0.000 -11.960) 13.321 4.034 ( 6.551 0.000 1.284) 6.676 4.078 ( -3.735 0.000 0.146) 3.737 4.116 ( 1.171 0.000 -1.502) 1.905 4.202 ( 5.406 0.000 -8.396) 9.985 4.275 ( -1.141 0.000 7.696) 7.780 4.431 ( 3.003 0.000 -4.064) 5.053 4.517 ( -7.325 0.000 11.268) 13.440 4.564 ( -6.568 0.000 7.736) 10.148 4.570 ( 2.749 0.000 4.194) 5.014 4.831 ( -2.656 0.000 1.903) 3.267 4.912 ( 0.648 0.000 2.761) 2.835 5.046 ( 1.364 0.000 -9.074) 9.176 5.098 ( -2.228 0.000 5.341) 5.787 5.344 ( 1.342 0.000 0.119) 1.348 5.485 ( -2.070 0.000 10.518) 10.720 5.612 ( -4.150 0.000 5.539) 6.921 5.651 ( -0.802 0.000 1.736) 1.912 5.778 ( -4.164 0.000 -1.193) 4.332 5.817 ( 11.336 0.000 -9.204) 14.602 5.913 ( 0.104 0.000 -3.260) 3.261 6.203 ( 0.722 0.000 -5.939) 5.982 6.308 ( 7.724 0.000 -11.460) 13.820 6.671 ( -0.753 0.000 1.160) 1.383 6.682 ( -0.540 0.000 2.017) 2.088 6.908 ( -10.597 0.000 14.655) 18.085 7.050 ( -2.674 0.000 9.859) 10.215 7.240 ( -0.211 0.000 -2.497) 2.506 7.287 ( 3.261 0.000 -8.784) 9.369 7.379 ( -3.121 0.000 2.097) 3.760 7.548 ( -4.529 0.000 2.635) 5.240 7.588 ( 9.558 0.000 -13.283) 16.365 7.745 ( 0.906 0.000 10.787) 10.825 7.878 ( 7.057 0.000 -8.702) 11.203 8.026 ( -4.959 0.000 -2.589) 5.595 8.159 ( 0.873 0.000 5.418) 5.488 8.307 ( -1.961 0.000 -2.263) 2.995 8.507 ( 0.398 0.000 1.403) 1.459 8.618 ( 1.765 0.000 -2.943) 3.432 8.668 ( -1.950 0.000 2.516) 3.183 8.788 ( -2.655 0.000 -3.348) 4.273 8.911 ( 3.119 0.000 2.636) 4.084 9.025 ( -1.126 0.000 -3.175) 3.368 9.138 ( -0.090 0.000 2.534) 2.536 9.159 ( -0.698 0.000 2.163) 2.273 9.836 ( -4.690 0.000 -0.903) 4.776 9.890 ( 9.382 0.000 -3.887) 10.156 10.014 ( 2.962 0.000 1.609) 3.371 10.042 ( -7.600 0.000 1.071) 7.675 10.176 ( -0.718 0.000 0.083) 0.723 10.184 ( 0.601 0.000 -0.011) 0.601 10.537 ( -0.460 0.000 0.895) 1.007 10.595 ( 1.886 0.000 -1.571) 2.455 10.999 ( -7.767 0.000 -1.141) 7.850 11.044 ( 8.039 0.000 -3.646) 8.827 11.162 ( 5.542 0.000 5.645) 7.911 11.249 ( -7.596 0.000 4.055) 8.610 11.614 ( 0.412 0.000 1.004) 1.085 11.732 ( -0.618 0.000 -3.091) 3.153 12.132 ( -0.969 0.000 0.141) 0.980 12.315 ( 3.147 0.000 -7.154) 7.816 12.650 ( -0.114 0.000 6.777) 6.778 13.054 ( -0.745 0.000 -11.099) 11.124 13.246 ( -2.884 0.000 4.344) 5.215 13.433 ( 4.144 0.000 -3.645) 5.519 13.593 ( 2.484 0.000 7.214) 7.629 13.593 ( -1.187 0.000 3.977) 4.150 13.751 ( -0.033 0.000 -2.180) 2.180 13.789 ( -2.780 0.000 -1.674) 3.245 13.843 ( -0.147 0.000 2.450) 2.454 13.902 ( 1.711 0.000 -0.379) 1.752 15.569 ( -0.098 0.000 1.756) 1.758 15.660 ( 0.156 0.000 -1.899) 1.906 16.314 ( 0.081 0.000 0.182) 0.199 16.324 ( -0.043 0.000 -0.223) 0.227 20.685 ( -0.486 0.000 0.468) 0.674 20.725 ( -0.335 0.000 -1.110) 1.160 20.752 ( -0.436 0.000 2.191) 2.234 20.834 ( -0.021 0.000 -1.314) 1.315 21.113 ( 1.113 0.000 4.841) 4.967 21.347 ( 0.096 0.000 -5.077) 5.078 21.583 ( -0.558 0.000 1.504) 1.604 21.657 ( 0.346 0.000 -1.368) 1.411 21.896 ( -1.320 0.000 3.690) 3.919 22.123 ( 0.916 0.000 2.267) 2.445 22.125 ( 0.870 0.000 -6.065) 6.128 22.207 ( 0.660 0.000 -1.553) 1.688 22.579 ( 0.453 0.000 4.642) 4.664 22.781 ( -0.829 0.000 -3.876) 3.964 22.799 ( -0.776 0.000 4.874) 4.935 22.988 ( 1.750 0.000 -3.173) 3.624 23.581 ( -0.240 0.000 0.154) 0.285 23.595 ( 0.414 0.000 -0.605) 0.733 23.764 ( -1.042 0.000 0.893) 1.372 23.782 ( 1.490 0.000 0.163) 1.499 23.886 ( -1.737 0.000 0.014) 1.737 23.905 ( 1.126 0.000 -0.758) 1.357 24.122 ( 0.150 0.000 0.935) 0.947 24.155 ( -0.254 0.000 -0.367) 0.446 24.329 ( 1.919 0.000 0.520) 1.988 24.416 ( -0.379 0.000 -2.778) 2.803 24.622 ( 0.327 0.000 4.313) 4.325 24.810 ( -0.459 0.000 -3.435) 3.466 ======================= Grid point 78 (26/88) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 5.216 0.000 15.712) 16.555 0.639 ( 9.159 0.000 17.518) 19.768 1.007 ( 7.775 0.000 7.405) 10.737 1.139 ( 3.327 0.000 -12.497) 12.933 1.153 ( 10.614 0.000 8.504) 13.600 1.430 ( -0.207 0.000 1.538) 1.552 1.487 ( 0.276 0.000 -3.519) 3.530 1.602 ( -0.645 0.000 1.930) 2.035 1.763 ( 2.357 0.000 -7.015) 7.401 1.775 ( 3.892 0.000 -9.195) 9.985 1.924 ( -1.886 0.000 1.877) 2.661 1.981 ( 1.147 0.000 -0.845) 1.425 2.138 ( -1.527 0.000 2.077) 2.577 2.159 ( -3.976 0.000 -1.624) 4.295 2.225 ( 0.748 0.000 1.910) 2.051 2.307 ( 6.043 0.000 -3.418) 6.943 2.434 ( -3.035 0.000 8.744) 9.256 2.481 ( -4.210 0.000 -9.428) 10.325 2.730 ( -0.484 0.000 -3.938) 3.968 2.830 ( -2.673 0.000 9.647) 10.010 2.900 ( 4.897 0.000 5.111) 7.079 2.999 ( 0.751 0.000 5.464) 5.515 3.030 ( 3.028 0.000 1.476) 3.369 3.071 ( -1.507 0.000 -1.430) 2.077 3.335 ( -0.763 0.000 -4.207) 4.276 3.466 ( -5.710 0.000 4.530) 7.289 3.469 ( -2.394 0.000 -11.450) 11.697 3.558 ( 2.394 0.000 -10.903) 11.163 3.621 ( 9.168 0.000 -1.583) 9.304 3.864 ( 4.665 0.000 -7.949) 9.217 3.998 ( -3.063 0.000 -3.181) 4.416 4.077 ( -2.546 0.000 3.225) 4.109 4.171 ( 4.541 0.000 -0.149) 4.544 4.253 ( 4.798 0.000 -6.010) 7.690 4.324 ( -2.510 0.000 7.511) 7.920 4.440 ( -2.691 0.000 5.108) 5.774 4.463 ( 5.200 0.000 -7.481) 9.111 4.581 ( -2.222 0.000 11.618) 11.829 4.683 ( 6.328 0.000 3.118) 7.055 4.824 ( 1.860 0.000 -0.281) 1.882 4.903 ( -4.233 0.000 8.011) 9.061 5.058 ( 5.120 0.000 -8.735) 10.125 5.113 ( 0.359 0.000 3.770) 3.788 5.376 ( 1.961 0.000 -0.125) 1.965 5.532 ( -1.396 0.000 10.924) 11.013 5.534 ( -7.782 0.000 1.864) 8.002 5.663 ( 1.118 0.000 0.839) 1.398 5.700 ( -4.199 0.000 2.625) 4.952 5.883 ( -0.737 0.000 -3.428) 3.507 5.968 ( 13.487 0.000 -11.820) 17.934 6.180 ( 1.474 0.000 -6.334) 6.503 6.344 ( 4.564 0.000 -9.330) 10.386 6.650 ( -3.285 0.000 3.018) 4.461 6.669 ( -3.279 0.000 3.366) 4.699 6.824 ( -8.654 0.000 10.731) 13.786 7.037 ( -5.314 0.000 6.910) 8.717 7.231 ( 0.284 0.000 -1.544) 1.570 7.270 ( 0.251 0.000 -5.506) 5.512 7.319 ( -4.327 0.000 1.241) 4.502 7.482 ( -3.662 0.000 0.411) 3.685 7.627 ( 3.524 0.000 -9.582) 10.209 7.823 ( -1.468 0.000 11.811) 11.902 7.869 ( -1.516 0.000 -3.872) 4.158 8.024 ( 8.277 0.000 -8.660) 11.979 8.229 ( 1.852 0.000 6.756) 7.005 8.261 ( -0.825 0.000 -2.756) 2.877 8.521 ( 0.403 0.000 0.857) 0.947 8.620 ( 0.441 0.000 -2.138) 2.183 8.653 ( -2.244 0.000 3.521) 4.175 8.728 ( -1.655 0.000 -1.768) 2.422 8.980 ( -1.102 0.000 -4.136) 4.281 8.987 ( 3.455 0.000 1.530) 3.778 9.153 ( -0.426 0.000 2.907) 2.938 9.163 ( -0.129 0.000 1.194) 1.201 9.713 ( -6.569 0.000 -2.122) 6.903 9.852 ( -8.575 0.000 0.749) 8.608 10.082 ( 1.837 0.000 1.847) 2.605 10.089 ( 10.129 0.000 -3.584) 10.745 10.198 ( 0.693 0.000 0.671) 0.965 10.198 ( 3.599 0.000 0.051) 3.599 10.551 ( 1.348 0.000 0.706) 1.522 10.632 ( 3.127 0.000 -1.061) 3.302 10.869 ( -5.673 0.000 -1.190) 5.797 11.136 ( -7.787 0.000 2.735) 8.254 11.176 ( 8.966 0.000 -2.306) 9.258 11.314 ( 7.016 0.000 5.269) 8.774 11.616 ( -1.439 0.000 2.085) 2.534 11.678 ( -2.748 0.000 -3.353) 4.335 12.120 ( -0.449 0.000 -0.041) 0.451 12.328 ( 4.131 0.000 -7.039) 8.161 12.689 ( -1.390 0.000 8.426) 8.540 12.943 ( -2.803 0.000 -10.419) 10.789 13.244 ( 0.113 0.000 1.758) 1.761 13.491 ( 3.380 0.000 -1.563) 3.724 13.602 ( -0.973 0.000 3.531) 3.663 13.632 ( -3.126 0.000 5.351) 6.197 13.669 ( -5.502 0.000 -2.548) 6.063 13.722 ( -0.584 0.000 -3.058) 3.114 13.921 ( 5.670 0.000 2.348) 6.137 13.992 ( 6.457 0.000 -1.464) 6.621 15.590 ( 0.912 0.000 1.996) 2.195 15.655 ( 1.011 0.000 -2.181) 2.404 16.303 ( -1.575 0.000 0.276) 1.599 16.308 ( -1.547 0.000 -0.337) 1.583 20.673 ( -1.030 0.000 0.135) 1.039 20.712 ( -0.310 0.000 0.054) 0.315 20.756 ( -1.152 0.000 2.389) 2.652 20.833 ( 0.913 0.000 -1.857) 2.069 21.185 ( 2.585 0.000 4.634) 5.306 21.322 ( 1.659 0.000 -5.654) 5.892 21.597 ( 0.929 0.000 1.444) 1.717 21.660 ( 1.048 0.000 -1.475) 1.810 21.915 ( 0.373 0.000 4.324) 4.340 22.095 ( 0.646 0.000 -5.535) 5.572 22.156 ( 0.760 0.000 2.512) 2.624 22.196 ( 0.004 0.000 -3.175) 3.175 22.616 ( -0.518 0.000 5.798) 5.821 22.728 ( -1.496 0.000 -4.977) 5.197 22.811 ( -1.475 0.000 4.121) 4.377 22.985 ( 0.323 0.000 -3.448) 3.463 23.598 ( 0.383 0.000 -0.251) 0.458 23.604 ( 2.833 0.000 -2.428) 3.731 23.731 ( -3.175 0.000 0.414) 3.202 23.806 ( -0.134 0.000 1.937) 1.941 23.845 ( -1.504 0.000 -2.073) 2.561 23.916 ( 0.521 0.000 0.303) 0.603 24.159 ( 0.700 0.000 -0.043) 0.701 24.171 ( 4.117 0.000 0.649) 4.168 24.371 ( 2.358 0.000 -0.351) 2.384 24.383 ( -0.665 0.000 -3.329) 3.395 24.692 ( 3.880 0.000 4.750) 6.133 24.789 ( 1.458 0.000 -4.367) 4.604 ======================= Grid point 79 (27/88) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 9.568 0.000 8.064) 12.513 0.951 ( 13.062 0.000 7.970) 15.301 1.129 ( 5.872 0.000 -1.323) 6.019 1.169 ( 8.649 0.000 -10.002) 13.223 1.384 ( 4.361 0.000 4.583) 6.326 1.471 ( 0.297 0.000 -2.964) 2.979 1.495 ( 7.816 0.000 3.003) 8.373 1.578 ( -4.125 0.000 2.928) 5.059 1.729 ( -2.964 0.000 1.983) 3.567 1.784 ( 4.576 0.000 -9.944) 10.946 1.906 ( -1.470 0.000 2.190) 2.638 1.959 ( -2.283 0.000 -0.321) 2.306 2.050 ( -4.482 0.000 -2.783) 5.276 2.113 ( -2.635 0.000 1.824) 3.205 2.258 ( 0.352 0.000 -2.102) 2.131 2.363 ( 0.927 0.000 1.840) 2.060 2.458 ( 9.681 0.000 -11.698) 15.185 2.536 ( 8.411 0.000 6.978) 10.929 2.697 ( 0.499 0.000 -3.544) 3.579 2.824 ( -6.045 0.000 9.462) 11.228 2.960 ( -2.469 0.000 8.768) 9.109 3.012 ( -2.542 0.000 -1.466) 2.934 3.073 ( 4.710 0.000 -1.614) 4.979 3.102 ( 2.064 0.000 -1.546) 2.579 3.291 ( -0.337 0.000 -1.752) 1.784 3.326 ( -1.812 0.000 -10.418) 10.575 3.476 ( 3.404 0.000 3.021) 4.552 3.556 ( 4.261 0.000 -7.895) 8.971 3.752 ( 4.787 0.000 0.682) 4.835 3.900 ( 4.142 0.000 -4.906) 6.420 3.947 ( 1.806 0.000 -6.035) 6.300 4.036 ( -4.472 0.000 4.573) 6.396 4.236 ( 1.586 0.000 1.687) 2.316 4.272 ( 1.046 0.000 -3.227) 3.393 4.290 ( -3.515 0.000 4.740) 5.901 4.467 ( 1.451 0.000 -2.722) 3.085 4.497 ( 4.953 0.000 -10.029) 11.186 4.630 ( -3.256 0.000 16.565) 16.882 4.819 ( 5.590 0.000 2.512) 6.128 4.900 ( 6.492 0.000 -1.089) 6.582 4.904 ( -1.944 0.000 8.331) 8.555 5.066 ( 1.192 0.000 -5.209) 5.344 5.161 ( 2.758 0.000 1.278) 3.040 5.368 ( -10.111 0.000 2.287) 10.367 5.408 ( 1.021 0.000 -2.727) 2.911 5.577 ( -2.040 0.000 9.290) 9.512 5.668 ( -2.273 0.000 3.882) 4.499 5.700 ( 2.127 0.000 0.568) 2.201 5.848 ( 0.286 0.000 -3.774) 3.785 6.123 ( 13.866 0.000 -14.213) 19.856 6.161 ( 0.371 0.000 -4.150) 4.166 6.343 ( 1.266 0.000 -5.460) 5.605 6.594 ( -6.523 0.000 5.818) 8.741 6.605 ( -7.352 0.000 5.667) 9.282 6.755 ( -4.261 0.000 2.631) 5.008 6.974 ( -4.717 0.000 2.037) 5.138 7.206 ( -1.587 0.000 -2.651) 3.090 7.216 ( -3.764 0.000 0.770) 3.842 7.263 ( -2.775 0.000 1.422) 3.118 7.431 ( -1.293 0.000 -2.225) 2.573 7.587 ( -2.720 0.000 -1.528) 3.119 7.848 ( 3.614 0.000 -8.164) 8.928 7.855 ( -3.791 0.000 10.796) 11.442 8.123 ( 9.350 0.000 -9.445) 13.291 8.246 ( 0.207 0.000 0.087) 0.224 8.316 ( 2.089 0.000 7.401) 7.691 8.533 ( 0.849 0.000 -1.138) 1.420 8.606 ( -0.378 0.000 -1.479) 1.526 8.637 ( -2.984 0.000 5.643) 6.384 8.705 ( 0.062 0.000 -1.299) 1.300 8.927 ( -1.303 0.000 -4.436) 4.624 9.050 ( 2.727 0.000 0.326) 2.746 9.163 ( -0.889 0.000 2.945) 3.076 9.171 ( 0.314 0.000 0.433) 0.535 9.586 ( -5.634 0.000 -2.355) 6.106 9.705 ( -8.339 0.000 1.488) 8.470 10.122 ( 2.386 0.000 0.706) 2.488 10.220 ( 2.766 0.000 0.152) 2.770 10.249 ( 8.885 0.000 -2.823) 9.323 10.286 ( 5.193 0.000 0.868) 5.265 10.589 ( 2.083 0.000 0.643) 2.180 10.681 ( 2.451 0.000 -0.057) 2.452 10.777 ( -3.660 0.000 -1.521) 3.964 11.010 ( -7.968 0.000 1.760) 8.160 11.327 ( 8.828 0.000 -0.789) 8.863 11.484 ( 7.993 0.000 3.432) 8.699 11.591 ( -4.001 0.000 -2.915) 4.951 11.591 ( -3.215 0.000 2.911) 4.337 12.119 ( 0.658 0.000 -0.606) 0.894 12.371 ( 6.062 0.000 -6.322) 8.759 12.725 ( -1.694 0.000 9.539) 9.689 12.816 ( -3.003 0.000 -9.883) 10.329 13.264 ( 0.625 0.000 1.693) 1.804 13.461 ( -5.497 0.000 -0.888) 5.568 13.576 ( -6.102 0.000 3.586) 7.077 13.611 ( -0.793 0.000 1.120) 1.373 13.627 ( 2.638 0.000 -1.003) 2.822 13.698 ( 0.794 0.000 -4.352) 4.424 14.035 ( 4.255 0.000 3.305) 5.387 14.092 ( 6.194 0.000 -2.589) 6.713 15.628 ( 1.684 0.000 1.997) 2.612 15.667 ( 2.019 0.000 -2.113) 2.923 16.263 ( -2.985 0.000 0.350) 3.005 16.266 ( -2.713 0.000 -0.431) 2.747 20.651 ( -1.379 0.000 -0.262) 1.404 20.717 ( 0.830 0.000 -0.490) 0.964 20.742 ( -2.111 0.000 2.160) 3.020 20.833 ( 0.556 0.000 -2.200) 2.269 21.264 ( 2.517 0.000 4.543) 5.193 21.330 ( 3.141 0.000 -4.420) 5.422 21.632 ( 1.735 0.000 1.115) 2.063 21.672 ( 1.214 0.000 -1.124) 1.654 21.968 ( 1.994 0.000 4.030) 4.496 22.076 ( 0.953 0.000 -3.592) 3.716 22.165 ( -0.537 0.000 -3.746) 3.785 22.185 ( 0.619 0.000 2.157) 2.244 22.644 ( -1.105 0.000 6.293) 6.389 22.663 ( -1.584 0.000 -5.002) 5.247 22.805 ( -2.131 0.000 3.130) 3.786 22.949 ( -1.358 0.000 -3.848) 4.081 23.612 ( 1.243 0.000 0.335) 1.287 23.627 ( 1.642 0.000 -3.124) 3.530 23.669 ( -3.657 0.000 0.539) 3.697 23.775 ( -2.474 0.000 -0.190) 2.482 23.840 ( 0.852 0.000 -0.614) 1.050 23.920 ( -0.674 0.000 0.395) 0.781 24.171 ( 0.218 0.000 0.620) 0.657 24.254 ( 4.137 0.000 0.181) 4.141 24.350 ( -0.448 0.000 -2.934) 2.968 24.403 ( 1.504 0.000 -0.380) 1.551 24.811 ( 4.717 0.000 -4.233) 6.338 24.821 ( 6.735 0.000 3.679) 7.674 ======================= Grid point 80 (28/88) ======================= q-point: ( 0.30 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 8.458 0.000 2.371) 8.784 1.161 ( 5.530 0.000 1.426) 5.711 1.210 ( 3.769 0.000 1.303) 3.988 1.236 ( 2.137 0.000 -6.698) 7.031 1.438 ( -0.562 0.000 0.031) 0.563 1.446 ( 2.396 0.000 0.412) 2.431 1.577 ( 2.256 0.000 3.618) 4.264 1.673 ( 9.319 0.000 -1.210) 9.397 1.724 ( -0.481 0.000 5.613) 5.634 1.802 ( 5.036 0.000 -8.061) 9.505 1.907 ( 0.110 0.000 1.812) 1.815 1.923 ( -5.399 0.000 -0.133) 5.400 1.952 ( 0.019 0.000 -2.063) 2.063 2.074 ( -1.961 0.000 -1.035) 2.218 2.231 ( -1.166 0.000 -2.451) 2.714 2.387 ( -1.187 0.000 4.391) 4.549 2.566 ( 7.880 0.000 -8.088) 11.292 2.730 ( 5.672 0.000 -1.115) 5.781 2.750 ( -6.113 0.000 10.326) 12.000 2.756 ( 8.260 0.000 -1.902) 8.476 2.948 ( -1.858 0.000 -4.335) 4.716 3.010 ( 3.166 0.000 7.406) 8.054 3.063 ( -1.449 0.000 -4.963) 5.171 3.147 ( 4.286 0.000 1.126) 4.432 3.291 ( 0.303 0.000 1.173) 1.211 3.331 ( 5.694 0.000 -2.368) 6.167 3.581 ( 2.246 0.000 -2.717) 3.525 3.597 ( 6.866 0.000 2.162) 7.198 3.769 ( -1.889 0.000 -2.386) 3.043 3.931 ( 2.556 0.000 -3.468) 4.308 4.000 ( 7.772 0.000 -5.268) 9.389 4.009 ( -0.399 0.000 1.292) 1.352 4.246 ( -3.255 0.000 7.484) 8.161 4.255 ( -0.517 0.000 -1.821) 1.893 4.283 ( 1.026 0.000 -3.129) 3.293 4.435 ( -1.309 0.000 -4.908) 5.079 4.490 ( 2.838 0.000 -11.545) 11.888 4.692 ( -3.710 0.000 17.238) 17.633 4.873 ( -4.697 0.000 9.356) 10.469 4.944 ( 1.066 0.000 1.154) 1.571 5.017 ( 7.247 0.000 -1.337) 7.369 5.058 ( 2.337 0.000 -2.287) 3.270 5.196 ( -8.531 0.000 -0.030) 8.531 5.220 ( 3.225 0.000 -0.420) 3.253 5.400 ( -0.670 0.000 -2.049) 2.156 5.576 ( -3.512 0.000 4.302) 5.553 5.669 ( -0.912 0.000 4.335) 4.430 5.730 ( 0.493 0.000 0.250) 0.553 5.862 ( 3.845 0.000 -2.561) 4.620 6.113 ( -4.714 0.000 0.496) 4.740 6.260 ( 12.124 0.000 -13.866) 18.419 6.311 ( -3.695 0.000 1.710) 4.072 6.501 ( -7.974 0.000 6.032) 9.999 6.506 ( -5.306 0.000 1.113) 5.422 6.708 ( -0.796 0.000 -2.735) 2.848 6.913 ( -1.157 0.000 -3.350) 3.544 7.150 ( -1.749 0.000 -3.538) 3.947 7.169 ( -3.792 0.000 5.856) 6.977 7.238 ( -2.471 0.000 4.948) 5.530 7.404 ( 0.410 0.000 -3.183) 3.209 7.527 ( -4.440 0.000 2.919) 5.314 7.847 ( -4.545 0.000 8.457) 9.600 7.860 ( 4.949 0.000 -10.886) 11.958 8.210 ( 7.134 0.000 -8.891) 11.400 8.264 ( -0.132 0.000 4.315) 4.317 8.400 ( 1.991 0.000 5.163) 5.533 8.528 ( 0.788 0.000 -3.975) 4.052 8.592 ( 0.364 0.000 -2.506) 2.532 8.641 ( -2.196 0.000 9.164) 9.424 8.705 ( 0.589 0.000 -0.496) 0.770 8.874 ( -1.358 0.000 -3.455) 3.713 9.087 ( 1.467 0.000 -0.515) 1.555 9.159 ( -1.622 0.000 2.017) 2.589 9.181 ( 0.641 0.000 -0.090) 0.648 9.482 ( -4.059 0.000 -2.197) 4.616 9.582 ( -6.449 0.000 1.583) 6.640 10.192 ( 5.162 0.000 0.215) 5.167 10.282 ( 3.966 0.000 1.177) 4.137 10.384 ( 4.682 0.000 1.157) 4.822 10.386 ( 8.264 0.000 -3.034) 8.803 10.624 ( 1.090 0.000 0.394) 1.159 10.688 ( -3.956 0.000 1.568) 4.255 10.732 ( 1.534 0.000 -2.720) 3.123 10.877 ( -8.063 0.000 1.682) 8.237 11.468 ( 6.216 0.000 0.148) 6.218 11.483 ( -4.438 0.000 -1.846) 4.807 11.548 ( -3.221 0.000 3.202) 4.542 11.660 ( 8.264 0.000 0.507) 8.280 12.137 ( 2.061 0.000 -1.209) 2.389 12.453 ( 7.325 0.000 -5.978) 9.454 12.707 ( -1.780 0.000 -7.232) 7.448 12.760 ( -2.219 0.000 9.928) 10.173 13.288 ( 0.076 0.000 3.173) 3.174 13.348 ( -5.028 0.000 -2.323) 5.539 13.479 ( -6.187 0.000 0.833) 6.243 13.593 ( -2.327 0.000 2.036) 3.092 13.676 ( 3.175 0.000 -1.859) 3.679 13.688 ( 1.355 0.000 -3.948) 4.174 14.111 ( 1.297 0.000 3.841) 4.054 14.174 ( 5.097 0.000 -3.067) 5.949 15.676 ( 1.984 0.000 1.756) 2.649 15.698 ( 2.914 0.000 -1.732) 3.390 16.204 ( -3.716 0.000 0.417) 3.739 16.209 ( -3.131 0.000 -0.477) 3.167 20.624 ( -1.290 0.000 -0.298) 1.323 20.716 ( -2.198 0.000 1.980) 2.959 20.730 ( 1.219 0.000 -1.415) 1.868 20.821 ( -0.019 0.000 -2.099) 2.099 21.335 ( 2.112 0.000 3.592) 4.167 21.365 ( 3.248 0.000 -2.436) 4.060 21.669 ( 1.574 0.000 0.723) 1.732 21.686 ( 0.945 0.000 -0.496) 1.067 22.036 ( 2.691 0.000 2.676) 3.795 22.078 ( 1.083 0.000 -1.435) 1.798 22.131 ( -0.152 0.000 -3.433) 3.437 22.208 ( 0.510 0.000 1.413) 1.502 22.606 ( -0.977 0.000 -3.979) 4.098 22.664 ( -1.310 0.000 5.309) 5.468 22.780 ( -2.686 0.000 2.259) 3.510 22.888 ( -2.189 0.000 -3.576) 4.193 23.604 ( -2.904 0.000 1.161) 3.127 23.613 ( -0.994 0.000 -1.894) 2.139 23.658 ( 2.317 0.000 0.129) 2.321 23.747 ( -0.222 0.000 -1.129) 1.150 23.849 ( 0.752 0.000 -0.554) 0.934 23.896 ( -2.036 0.000 0.103) 2.038 24.173 ( -0.733 0.000 1.251) 1.450 24.304 ( 1.511 0.000 -1.679) 2.259 24.331 ( 0.186 0.000 -0.612) 0.640 24.420 ( 0.736 0.000 -0.356) 0.818 24.897 ( 7.245 0.000 -3.033) 7.855 24.967 ( 6.748 0.000 2.015) 7.043 ======================= Grid point 81 (29/88) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 3.853 0.000 0.194) 3.858 1.182 ( -1.655 0.000 -1.067) 1.969 1.189 ( -1.478 0.000 1.353) 2.003 1.285 ( 3.706 0.000 -1.564) 4.023 1.476 ( 2.696 0.000 -0.238) 2.706 1.485 ( 1.961 0.000 -0.736) 2.094 1.632 ( 1.418 0.000 2.039) 2.484 1.725 ( -4.319 0.000 1.219) 4.488 1.772 ( 4.653 0.000 -4.294) 6.332 1.835 ( 1.614 0.000 -5.021) 5.274 1.859 ( -0.933 0.000 1.200) 1.520 1.954 ( 2.518 0.000 3.603) 4.396 2.016 ( 5.560 0.000 4.871) 7.392 2.040 ( 2.498 0.000 -6.718) 7.167 2.181 ( -3.449 0.000 -0.216) 3.456 2.361 ( -4.584 0.000 3.009) 5.483 2.629 ( 4.466 0.000 -2.590) 5.163 2.681 ( -4.852 0.000 5.599) 7.409 2.833 ( 2.160 0.000 3.113) 3.789 2.863 ( 2.161 0.000 1.244) 2.494 2.919 ( 3.365 0.000 -3.645) 4.960 3.047 ( 3.573 0.000 -3.670) 5.122 3.154 ( 6.842 0.000 0.302) 6.849 3.234 ( 2.401 0.000 3.194) 3.996 3.332 ( 3.225 0.000 2.886) 4.327 3.419 ( 1.942 0.000 3.018) 3.589 3.600 ( 2.883 0.000 -2.179) 3.614 3.672 ( -3.714 0.000 -4.341) 5.713 3.725 ( 3.531 0.000 1.137) 3.710 3.956 ( 3.781 0.000 -6.193) 7.256 4.018 ( 0.659 0.000 -1.885) 1.997 4.109 ( 8.393 0.000 -6.486) 10.607 4.219 ( -4.388 0.000 3.334) 5.511 4.235 ( -0.411 0.000 -1.444) 1.501 4.291 ( 1.556 0.000 1.872) 2.435 4.374 ( -1.452 0.000 -3.851) 4.116 4.446 ( 1.842 0.000 -11.209) 11.360 4.728 ( -5.489 0.000 15.393) 16.343 4.779 ( -9.512 0.000 2.924) 9.951 4.971 ( -1.040 0.000 6.445) 6.528 5.041 ( -4.358 0.000 1.952) 4.775 5.139 ( 7.382 0.000 -1.458) 7.524 5.151 ( 4.847 0.000 -2.716) 5.556 5.264 ( 2.267 0.000 -1.451) 2.692 5.366 ( -0.956 0.000 -1.740) 1.985 5.524 ( -3.242 0.000 -0.884) 3.360 5.697 ( 1.040 0.000 3.186) 3.351 5.719 ( -1.051 0.000 -1.378) 1.733 5.929 ( 4.428 0.000 -1.050) 4.550 5.988 ( -11.878 0.000 7.378) 13.983 6.211 ( -13.058 0.000 12.035) 17.758 6.354 ( 8.056 0.000 -11.180) 13.780 6.435 ( -1.035 0.000 0.223) 1.058 6.460 ( 1.864 0.000 -5.189) 5.514 6.698 ( 3.455 0.000 -5.948) 6.879 6.887 ( 2.495 0.000 -7.864) 8.251 7.107 ( -0.637 0.000 -1.946) 2.048 7.162 ( -3.222 0.000 9.302) 9.844 7.243 ( -2.464 0.000 8.294) 8.652 7.397 ( 1.056 0.000 -2.825) 3.016 7.469 ( -4.944 0.000 4.467) 6.664 7.818 ( -4.756 0.000 6.901) 8.382 7.865 ( 5.103 0.000 -13.309) 14.254 8.242 ( 2.789 0.000 -7.367) 7.877 8.295 ( -1.182 0.000 7.275) 7.371 8.433 ( 0.001 0.000 -1.599) 1.599 8.535 ( 2.041 0.000 -0.143) 2.046 8.578 ( 0.633 0.000 -4.354) 4.400 8.682 ( -0.760 0.000 8.796) 8.829 8.722 ( 1.245 0.000 0.856) 1.511 8.838 ( -0.318 0.000 -1.239) 1.279 9.099 ( 0.611 0.000 -1.143) 1.296 9.132 ( -2.071 0.000 0.220) 2.082 9.187 ( 0.300 0.000 -1.043) 1.085 9.419 ( -1.361 0.000 -0.847) 1.603 9.497 ( -4.089 0.000 1.110) 4.237 10.304 ( 6.786 0.000 0.085) 6.786 10.375 ( 5.258 0.000 0.879) 5.331 10.464 ( 3.205 0.000 1.029) 3.366 10.496 ( 5.357 0.000 -1.627) 5.599 10.605 ( -4.963 0.000 -0.416) 4.980 10.626 ( -1.077 0.000 -0.203) 1.096 10.744 ( 0.823 0.000 -1.045) 1.330 10.749 ( -7.472 0.000 2.373) 7.840 11.411 ( -2.320 0.000 -0.347) 2.345 11.475 ( -2.982 0.000 0.922) 3.122 11.595 ( 3.308 0.000 2.476) 4.132 11.781 ( 5.536 0.000 -2.451) 6.054 12.172 ( 2.657 0.000 -1.281) 2.950 12.490 ( 2.328 0.000 -11.107) 11.349 12.702 ( 4.369 0.000 1.868) 4.751 12.777 ( -3.836 0.000 9.185) 9.954 13.263 ( -2.162 0.000 -2.650) 3.420 13.307 ( -1.317 0.000 3.815) 4.036 13.384 ( -3.599 0.000 -0.282) 3.610 13.561 ( -2.252 0.000 0.791) 2.387 13.690 ( 1.805 0.000 -3.483) 3.923 13.707 ( 1.756 0.000 -1.883) 2.575 14.138 ( -1.162 0.000 3.837) 4.009 14.229 ( 3.414 0.000 -2.996) 4.542 15.718 ( 1.232 0.000 1.389) 1.857 15.742 ( 2.878 0.000 -1.227) 3.129 16.144 ( -3.071 0.000 0.466) 3.107 16.155 ( -2.199 0.000 -0.494) 2.254 20.605 ( -0.602 0.000 0.193) 0.632 20.697 ( -1.514 0.000 2.302) 2.755 20.733 ( 0.744 0.000 -2.986) 3.077 20.809 ( 0.245 0.000 -1.391) 1.412 21.384 ( 0.812 0.000 2.151) 2.299 21.404 ( 2.193 0.000 -0.936) 2.385 21.695 ( 0.783 0.000 0.366) 0.865 21.697 ( 0.457 0.000 -0.030) 0.458 22.082 ( 0.383 0.000 -1.277) 1.333 22.091 ( 1.724 0.000 0.808) 1.904 22.127 ( 1.297 0.000 -0.541) 1.406 22.219 ( -0.125 0.000 0.243) 0.273 22.580 ( 0.573 0.000 -2.077) 2.154 22.664 ( -2.087 0.000 2.248) 3.068 22.748 ( -2.337 0.000 2.328) 3.299 22.833 ( -1.177 0.000 -2.432) 2.702 23.568 ( -1.896 0.000 0.898) 2.098 23.583 ( -0.717 0.000 -1.108) 1.320 23.704 ( 2.379 0.000 -0.060) 2.379 23.737 ( -0.418 0.000 -0.492) 0.646 23.858 ( -2.167 0.000 0.338) 2.193 23.863 ( 1.477 0.000 -1.253) 1.936 24.167 ( -0.965 0.000 1.770) 2.016 24.294 ( 0.134 0.000 -3.117) 3.120 24.347 ( 0.638 0.000 1.364) 1.506 24.425 ( 0.197 0.000 -0.661) 0.690 25.004 ( 5.841 0.000 -1.482) 6.026 25.073 ( 3.637 0.000 0.284) 3.649 ======================= Grid point 82 (30/88) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.740 0.000 3.600) 3.675 1.158 ( -2.213 0.000 0.071) 2.214 1.194 ( 1.784 0.000 -0.447) 1.839 1.319 ( 1.618 0.000 -2.450) 2.936 1.486 ( -0.470 0.000 -1.539) 1.609 1.496 ( -0.174 0.000 -1.479) 1.489 1.631 ( -4.878 0.000 1.321) 5.054 1.724 ( 5.926 0.000 2.001) 6.255 1.784 ( -2.675 0.000 -3.706) 4.571 1.816 ( 3.475 0.000 -3.511) 4.940 1.835 ( -3.059 0.000 1.857) 3.579 1.969 ( -0.345 0.000 -2.574) 2.597 2.075 ( -5.101 0.000 -0.203) 5.105 2.101 ( 6.510 0.000 -5.082) 8.259 2.185 ( 4.213 0.000 6.364) 7.632 2.297 ( -3.395 0.000 1.759) 3.824 2.640 ( -6.407 0.000 9.877) 11.773 2.695 ( 3.626 0.000 -1.558) 3.947 2.867 ( 0.586 0.000 6.030) 6.058 2.883 ( 1.031 0.000 -2.788) 2.972 2.989 ( 3.026 0.000 1.748) 3.495 3.132 ( 6.546 0.000 0.638) 6.577 3.170 ( -4.212 0.000 -5.185) 6.681 3.242 ( -4.005 0.000 -0.532) 4.040 3.384 ( -0.732 0.000 2.111) 2.235 3.408 ( -5.606 0.000 5.979) 8.196 3.632 ( 4.549 0.000 -2.565) 5.223 3.667 ( 5.766 0.000 -5.212) 7.773 3.754 ( -1.424 0.000 1.311) 1.936 3.943 ( -0.180 0.000 -7.651) 7.653 3.989 ( -1.236 0.000 -4.006) 4.192 4.173 ( -2.411 0.000 3.101) 3.928 4.173 ( 2.282 0.000 -6.268) 6.671 4.233 ( 3.251 0.000 -3.987) 5.144 4.324 ( 1.278 0.000 -4.576) 4.751 4.393 ( 3.822 0.000 7.191) 8.144 4.406 ( 1.120 0.000 -7.854) 7.933 4.631 ( -5.384 0.000 -2.578) 5.969 4.712 ( -7.423 0.000 13.534) 15.436 4.945 ( -6.472 0.000 8.710) 10.851 5.065 ( 5.001 0.000 -1.035) 5.107 5.228 ( -0.206 0.000 2.065) 2.075 5.243 ( 5.994 0.000 1.241) 6.121 5.308 ( 6.595 0.000 -3.833) 7.628 5.357 ( 1.241 0.000 -1.460) 1.916 5.461 ( -0.350 0.000 -6.228) 6.238 5.682 ( -1.003 0.000 -2.923) 3.090 5.744 ( 1.609 0.000 1.948) 2.527 5.820 ( -12.246 0.000 8.788) 15.073 5.983 ( -0.273 0.000 1.113) 1.146 6.051 ( -11.964 0.000 12.602) 17.377 6.391 ( 3.961 0.000 -8.205) 9.111 6.455 ( 2.570 0.000 -0.111) 2.572 6.482 ( 3.386 0.000 -3.192) 4.653 6.757 ( 8.923 0.000 -8.753) 12.499 6.886 ( 5.072 0.000 -11.520) 12.587 7.100 ( 0.324 0.000 0.615) 0.695 7.181 ( -2.597 0.000 10.706) 11.017 7.258 ( -2.625 0.000 8.122) 8.536 7.401 ( 0.657 0.000 -0.029) 0.658 7.417 ( -4.299 0.000 4.420) 6.166 7.777 ( -5.148 0.000 6.856) 8.573 7.856 ( 5.264 0.000 -15.386) 16.262 8.210 ( -0.410 0.000 -6.717) 6.729 8.322 ( -1.929 0.000 8.284) 8.506 8.410 ( -0.571 0.000 -1.675) 1.770 8.553 ( 0.359 0.000 -4.638) 4.652 8.560 ( -0.202 0.000 -0.109) 0.229 8.720 ( -0.556 0.000 4.901) 4.933 8.756 ( 1.324 0.000 1.274) 1.837 8.864 ( 2.616 0.000 3.171) 4.111 9.083 ( -0.795 0.000 -3.428) 3.519 9.110 ( 0.016 0.000 0.203) 0.203 9.173 ( -0.462 0.000 -2.055) 2.107 9.427 ( 1.894 0.000 1.062) 2.172 9.448 ( -1.827 0.000 -0.002) 1.827 10.404 ( 2.298 0.000 0.507) 2.354 10.446 ( -1.959 0.000 -0.951) 2.177 10.493 ( -0.451 0.000 1.075) 1.166 10.506 ( -0.142 0.000 1.500) 1.507 10.584 ( -0.970 0.000 -1.682) 1.942 10.590 ( 3.281 0.000 -1.517) 3.615 10.668 ( -3.158 0.000 2.683) 4.143 10.747 ( 0.395 0.000 -0.371) 0.542 11.404 ( 1.340 0.000 1.202) 1.800 11.436 ( -1.353 0.000 -0.164) 1.363 11.641 ( -0.551 0.000 3.031) 3.080 11.810 ( 0.108 0.000 -4.120) 4.121 12.209 ( 2.046 0.000 -0.441) 2.093 12.423 ( 0.306 0.000 -11.227) 11.231 12.745 ( -6.025 0.000 6.593) 8.931 12.836 ( 6.055 0.000 5.680) 8.302 13.243 ( 1.662 0.000 -1.446) 2.203 13.270 ( -1.761 0.000 -3.089) 3.556 13.379 ( -0.359 0.000 5.705) 5.716 13.528 ( -1.309 0.000 -0.680) 1.475 13.702 ( 2.133 0.000 -3.116) 3.776 13.712 ( 0.452 0.000 -2.257) 2.302 14.129 ( -2.635 0.000 3.364) 4.273 14.254 ( 1.493 0.000 -2.481) 2.896 15.730 ( -0.930 0.000 0.958) 1.335 15.772 ( 0.980 0.000 -0.746) 1.232 16.113 ( -0.371 0.000 0.413) 0.555 16.134 ( 0.362 0.000 -0.426) 0.559 20.607 ( 0.327 0.000 0.849) 0.909 20.696 ( -0.704 0.000 2.763) 2.852 20.717 ( 0.385 0.000 -3.840) 3.859 20.810 ( 0.845 0.000 -1.560) 1.774 21.391 ( -1.409 0.000 1.212) 1.858 21.428 ( 0.882 0.000 -0.147) 0.894 21.701 ( 0.005 0.000 0.153) 0.153 21.703 ( -0.109 0.000 0.156) 0.191 22.087 ( 1.108 0.000 -0.734) 1.329 22.103 ( -0.403 0.000 -0.650) 0.765 22.153 ( 0.983 0.000 1.516) 1.807 22.202 ( -1.533 0.000 -0.978) 1.818 22.601 ( 2.503 0.000 0.118) 2.506 22.620 ( -3.010 0.000 -0.752) 3.103 22.736 ( -1.021 0.000 2.272) 2.491 22.821 ( 1.376 0.000 -1.385) 1.952 23.550 ( -0.672 0.000 0.512) 0.845 23.577 ( 0.782 0.000 -0.619) 0.997 23.728 ( -0.169 0.000 -0.283) 0.330 23.732 ( 0.606 0.000 -0.366) 0.708 23.832 ( -0.748 0.000 0.645) 0.987 23.878 ( 1.061 0.000 -1.356) 1.722 24.167 ( -0.496 0.000 2.136) 2.193 24.276 ( 0.376 0.000 -2.962) 2.986 24.369 ( 0.653 0.000 1.636) 1.761 24.418 ( -0.186 0.000 -1.203) 1.217 25.068 ( 1.667 0.000 -0.062) 1.668 25.092 ( -1.234 0.000 -1.252) 1.757 ======================= Grid point 83 (31/88) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -1.859 0.000 -1.539) 2.413 1.189 ( -3.491 0.000 4.029) 5.331 1.210 ( 3.630 0.000 0.482) 3.662 1.289 ( -3.449 0.000 -3.058) 4.609 1.453 ( -2.612 0.000 0.337) 2.634 1.460 ( -2.331 0.000 -1.492) 2.768 1.565 ( -1.351 0.000 -1.066) 1.721 1.732 ( 0.516 0.000 -2.670) 2.719 1.762 ( -7.268 0.000 1.756) 7.477 1.840 ( 0.071 0.000 -1.234) 1.236 1.876 ( 7.665 0.000 4.282) 8.780 1.918 ( -2.372 0.000 -3.996) 4.647 1.984 ( -3.874 0.000 1.507) 4.157 2.157 ( 3.437 0.000 -4.084) 5.338 2.281 ( 1.252 0.000 -1.797) 2.190 2.283 ( 2.733 0.000 2.751) 3.878 2.576 ( -9.151 0.000 10.520) 13.944 2.710 ( 0.206 0.000 -2.813) 2.821 2.852 ( -3.093 0.000 -3.704) 4.826 2.939 ( -14.448 0.000 -7.441) 16.251 2.958 ( 3.010 0.000 7.685) 8.254 3.023 ( -1.576 0.000 3.688) 4.010 3.118 ( -3.994 0.000 -4.343) 5.900 3.244 ( 0.559 0.000 4.212) 4.249 3.367 ( 0.784 0.000 3.449) 3.537 3.396 ( 0.069 0.000 2.424) 2.424 3.624 ( -5.513 0.000 -3.903) 6.755 3.688 ( 0.296 0.000 -2.777) 2.793 3.805 ( 6.024 0.000 3.882) 7.166 3.870 ( -2.246 0.000 -4.813) 5.311 3.941 ( 1.047 0.000 -8.513) 8.577 4.133 ( -2.113 0.000 -2.976) 3.650 4.165 ( -1.362 0.000 2.747) 3.067 4.248 ( 2.120 0.000 -6.607) 6.939 4.324 ( 2.279 0.000 -4.579) 5.115 4.381 ( 1.469 0.000 -4.975) 5.188 4.510 ( -0.369 0.000 11.409) 11.415 4.587 ( 3.949 0.000 -6.786) 7.851 4.681 ( -4.559 0.000 11.568) 12.434 4.876 ( -7.384 0.000 5.999) 9.514 5.159 ( 6.500 0.000 -3.101) 7.202 5.180 ( -5.085 0.000 0.951) 5.173 5.342 ( -3.551 0.000 1.528) 3.866 5.374 ( 2.766 0.000 3.103) 4.157 5.393 ( 7.483 0.000 -1.556) 7.643 5.485 ( 7.525 0.000 -7.498) 10.623 5.657 ( -13.201 0.000 13.505) 18.885 5.669 ( 5.010 0.000 -7.595) 9.098 5.804 ( 4.356 0.000 -4.574) 6.316 5.870 ( -11.240 0.000 9.470) 14.698 6.045 ( 0.283 0.000 3.289) 3.301 6.384 ( 1.491 0.000 -7.329) 7.479 6.510 ( 3.023 0.000 0.780) 3.122 6.528 ( 2.351 0.000 1.490) 2.784 6.880 ( 10.446 0.000 -7.111) 12.636 6.908 ( 6.631 0.000 -11.763) 13.503 7.123 ( 1.749 0.000 0.802) 1.924 7.219 ( -1.958 0.000 11.213) 11.383 7.258 ( -0.677 0.000 0.542) 0.867 7.380 ( -2.799 0.000 2.992) 4.097 7.425 ( -0.767 0.000 7.308) 7.348 7.731 ( -5.552 0.000 7.289) 9.163 7.837 ( 5.319 0.000 -16.687) 17.515 8.147 ( -1.160 0.000 -5.829) 5.943 8.344 ( -2.039 0.000 7.936) 8.193 8.399 ( -0.109 0.000 0.551) 0.561 8.516 ( -4.265 0.000 -0.162) 4.268 8.534 ( 0.926 0.000 -3.510) 3.630 8.740 ( 0.151 0.000 1.639) 1.645 8.777 ( -0.004 0.000 1.023) 1.023 8.958 ( 3.707 0.000 5.423) 6.569 9.044 ( 0.054 0.000 -5.321) 5.321 9.119 ( 0.239 0.000 0.807) 0.842 9.151 ( -0.275 0.000 -1.740) 1.762 9.436 ( 1.292 0.000 -1.439) 1.934 9.489 ( 3.668 0.000 1.709) 4.046 10.333 ( -6.442 0.000 -0.945) 6.510 10.361 ( -6.329 0.000 1.833) 6.589 10.455 ( -4.760 0.000 0.613) 4.799 10.516 ( -0.191 0.000 -1.181) 1.196 10.624 ( 1.047 0.000 -0.013) 1.047 10.635 ( 2.623 0.000 -0.873) 2.765 10.662 ( 2.799 0.000 0.606) 2.864 10.771 ( 2.225 0.000 0.964) 2.425 11.431 ( 1.307 0.000 -1.015) 1.655 11.469 ( 4.254 0.000 1.745) 4.598 11.621 ( -4.243 0.000 3.717) 5.641 11.728 ( -5.728 0.000 -3.872) 6.914 12.234 ( 0.330 0.000 1.250) 1.293 12.360 ( 1.276 0.000 -10.140) 10.220 12.663 ( -6.343 0.000 2.890) 6.970 12.978 ( 4.420 0.000 7.469) 8.679 13.229 ( 1.070 0.000 -6.799) 6.883 13.295 ( 3.986 0.000 0.610) 4.032 13.420 ( -0.468 0.000 7.313) 7.328 13.507 ( 0.241 0.000 -2.372) 2.384 13.693 ( -0.604 0.000 -2.458) 2.531 13.720 ( 2.216 0.000 -2.917) 3.663 14.094 ( -3.560 0.000 2.454) 4.324 14.247 ( -0.645 0.000 -1.681) 1.800 15.700 ( -2.873 0.000 0.570) 2.929 15.764 ( -1.230 0.000 -0.408) 1.296 16.138 ( 2.571 0.000 0.224) 2.581 16.161 ( 2.756 0.000 -0.260) 2.768 20.626 ( 0.925 0.000 1.184) 1.503 20.700 ( 0.858 0.000 -3.825) 3.921 20.708 ( -0.235 0.000 2.883) 2.892 20.813 ( 0.996 0.000 -2.411) 2.608 21.353 ( -3.623 0.000 1.221) 3.823 21.434 ( -0.072 0.000 0.114) 0.135 21.693 ( -1.060 0.000 0.164) 1.073 21.700 ( -0.204 0.000 0.147) 0.251 22.073 ( -2.533 0.000 -0.221) 2.543 22.109 ( 1.610 0.000 -0.119) 1.614 22.154 ( -2.218 0.000 -2.183) 3.112 22.178 ( 0.371 0.000 1.788) 1.826 22.560 ( -2.391 0.000 -1.428) 2.785 22.664 ( 3.535 0.000 1.614) 3.886 22.738 ( -0.297 0.000 1.493) 1.522 22.856 ( 3.370 0.000 -1.582) 3.723 23.552 ( 0.706 0.000 0.219) 0.739 23.601 ( 2.207 0.000 -0.421) 2.247 23.718 ( -1.847 0.000 0.457) 1.903 23.726 ( 0.259 0.000 -1.023) 1.056 23.842 ( 1.393 0.000 -0.224) 1.411 23.882 ( 0.357 0.000 -0.846) 0.918 24.180 ( 0.068 0.000 2.332) 2.333 24.264 ( 0.502 0.000 -2.730) 2.776 24.393 ( 0.719 0.000 1.521) 1.682 24.402 ( -0.452 0.000 -1.852) 1.907 25.013 ( -5.935 0.000 -2.312) 6.369 25.061 ( -2.693 0.000 0.954) 2.857 ======================= Grid point 84 (32/88) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -6.974 0.000 -3.110) 7.636 1.058 ( -13.875 0.000 6.056) 15.139 1.173 ( -5.189 0.000 -2.559) 5.786 1.309 ( 7.196 0.000 -2.831) 7.732 1.395 ( -4.599 0.000 0.003) 4.599 1.432 ( -0.118 0.000 1.154) 1.160 1.563 ( 1.011 0.000 -0.551) 1.151 1.614 ( -9.183 0.000 2.010) 9.400 1.725 ( -12.068 0.000 3.609) 12.596 1.765 ( 2.951 0.000 -1.948) 3.536 1.893 ( 2.140 0.000 -3.517) 4.117 1.964 ( 0.250 0.000 0.187) 0.313 2.042 ( 6.577 0.000 5.457) 8.546 2.168 ( 1.173 0.000 -5.355) 5.483 2.292 ( 3.255 0.000 -8.184) 8.808 2.322 ( -0.141 0.000 1.817) 1.823 2.456 ( -10.895 0.000 7.461) 13.205 2.592 ( -13.222 0.000 -3.502) 13.678 2.682 ( -0.603 0.000 -3.337) 3.391 2.801 ( -2.021 0.000 -0.189) 2.030 2.984 ( -3.273 0.000 -0.521) 3.314 3.042 ( -1.459 0.000 8.206) 8.335 3.089 ( 2.572 0.000 -3.002) 3.953 3.206 ( -3.154 0.000 1.723) 3.594 3.405 ( 0.210 0.000 -1.668) 1.681 3.454 ( -9.662 0.000 -2.118) 9.892 3.493 ( 6.776 0.000 3.835) 7.786 3.675 ( 1.480 0.000 -4.426) 4.667 3.813 ( -1.854 0.000 0.261) 1.872 3.891 ( 1.477 0.000 -12.547) 12.634 3.939 ( 4.322 0.000 5.680) 7.137 4.065 ( -2.817 0.000 -3.657) 4.616 4.155 ( -1.422 0.000 1.378) 1.980 4.238 ( 2.145 0.000 -6.370) 6.722 4.328 ( 0.801 0.000 -2.999) 3.104 4.377 ( 1.239 0.000 -3.679) 3.882 4.526 ( -7.302 0.000 17.064) 18.560 4.647 ( 8.039 0.000 -8.408) 11.633 4.720 ( -0.889 0.000 8.455) 8.501 4.767 ( -8.541 0.000 4.113) 9.480 5.081 ( -6.633 0.000 1.790) 6.870 5.230 ( 5.165 0.000 -7.815) 9.368 5.266 ( -5.183 0.000 1.041) 5.287 5.423 ( 2.323 0.000 1.345) 2.684 5.514 ( -2.110 0.000 2.871) 3.563 5.519 ( -5.564 0.000 5.324) 7.701 5.551 ( 1.551 0.000 8.396) 8.538 5.735 ( 0.852 0.000 -4.887) 4.961 5.796 ( 4.697 0.000 -1.756) 5.014 5.842 ( 3.833 0.000 -5.867) 7.008 6.076 ( 1.593 0.000 1.332) 2.076 6.344 ( -0.384 0.000 -6.291) 6.302 6.569 ( 2.788 0.000 0.956) 2.947 6.583 ( 1.588 0.000 3.456) 3.803 6.946 ( 3.846 0.000 -5.151) 6.429 7.004 ( 4.484 0.000 1.826) 4.841 7.188 ( 7.206 0.000 -3.974) 8.229 7.247 ( 1.817 0.000 -3.215) 3.693 7.272 ( 1.482 0.000 2.775) 3.146 7.354 ( -1.734 0.000 0.646) 1.851 7.478 ( -1.687 0.000 13.416) 13.522 7.685 ( -4.961 0.000 6.595) 8.253 7.811 ( 5.274 0.000 -16.930) 17.733 8.099 ( -0.248 0.000 -3.621) 3.629 8.361 ( -1.952 0.000 6.824) 7.098 8.409 ( -3.245 0.000 3.654) 4.887 8.425 ( -2.329 0.000 -1.373) 2.704 8.540 ( 2.071 0.000 -2.431) 3.193 8.742 ( -0.806 0.000 0.497) 0.947 8.776 ( -0.647 0.000 1.231) 1.391 9.007 ( 0.268 0.000 -6.495) 6.501 9.052 ( 2.338 0.000 4.368) 4.955 9.122 ( -0.910 0.000 1.600) 1.840 9.140 ( -0.091 0.000 -0.482) 0.491 9.482 ( 5.456 0.000 -2.536) 6.017 9.579 ( 4.935 0.000 1.893) 5.286 10.228 ( -4.157 0.000 -1.213) 4.330 10.254 ( -6.826 0.000 2.436) 7.248 10.363 ( -5.257 0.000 -0.645) 5.296 10.461 ( -4.484 0.000 -1.343) 4.681 10.624 ( -2.228 0.000 1.578) 2.731 10.630 ( -0.233 0.000 -0.486) 0.539 10.758 ( 6.620 0.000 -2.754) 7.170 10.835 ( 3.279 0.000 2.721) 4.261 11.466 ( 3.033 0.000 -0.880) 3.158 11.529 ( -4.143 0.000 -2.163) 4.674 11.552 ( -6.167 0.000 4.263) 7.497 11.605 ( 0.193 0.000 0.737) 0.762 12.233 ( -2.147 0.000 2.619) 3.387 12.325 ( 2.583 0.000 -9.553) 9.896 12.581 ( -3.460 0.000 0.454) 3.490 13.100 ( 2.718 0.000 8.976) 9.378 13.205 ( 2.414 0.000 -9.560) 9.860 13.373 ( 3.116 0.000 1.355) 3.398 13.459 ( -1.029 0.000 7.060) 7.135 13.512 ( 3.149 0.000 -3.296) 4.559 13.660 ( -1.295 0.000 -1.779) 2.200 13.738 ( 2.064 0.000 -3.025) 3.662 14.036 ( -4.439 0.000 1.359) 4.642 14.204 ( -3.121 0.000 -0.966) 3.267 15.646 ( -3.231 0.000 0.472) 3.265 15.732 ( -1.735 0.000 -0.437) 1.789 16.196 ( 3.477 0.000 0.070) 3.478 16.218 ( 3.433 0.000 -0.144) 3.436 20.652 ( 0.955 0.000 1.075) 1.438 20.696 ( 1.678 0.000 -3.603) 3.975 20.725 ( -0.208 0.000 2.609) 2.618 20.814 ( 1.142 0.000 -2.509) 2.756 21.283 ( -5.157 0.000 1.395) 5.342 21.428 ( -0.556 0.000 -0.235) 0.604 21.667 ( -2.027 0.000 0.371) 2.060 21.696 ( -0.286 0.000 -0.113) 0.307 22.012 ( -4.500 0.000 1.560) 4.763 22.107 ( -0.789 0.000 -2.670) 2.784 22.138 ( 1.640 0.000 -0.576) 1.738 22.191 ( -0.031 0.000 1.098) 1.098 22.522 ( -1.015 0.000 -0.546) 1.152 22.738 ( 3.159 0.000 1.681) 3.578 22.745 ( -0.176 0.000 1.688) 1.697 22.907 ( 3.694 0.000 -2.659) 4.552 23.575 ( 1.539 0.000 -0.116) 1.544 23.647 ( 3.164 0.000 -0.608) 3.222 23.690 ( -1.461 0.000 1.432) 2.046 23.716 ( -0.051 0.000 -2.726) 2.726 23.867 ( 1.638 0.000 -0.969) 1.903 23.885 ( 0.432 0.000 0.244) 0.496 24.199 ( 0.012 0.000 2.278) 2.278 24.249 ( -0.428 0.000 -2.328) 2.367 24.375 ( -0.780 0.000 -2.608) 2.722 24.415 ( 0.712 0.000 0.962) 1.197 24.861 ( -8.468 0.000 -2.350) 8.788 24.996 ( -4.960 0.000 1.143) 5.090 ======================= Grid point 85 (33/88) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -17.832 0.000 0.024) 17.832 0.815 ( -18.586 0.000 9.831) 21.026 1.095 ( -2.499 0.000 -2.750) 3.716 1.231 ( -18.458 0.000 5.559) 19.277 1.363 ( 0.654 0.000 -7.925) 7.952 1.469 ( 4.589 0.000 0.538) 4.620 1.523 ( -0.891 0.000 0.355) 0.959 1.529 ( -9.060 0.000 5.522) 10.610 1.581 ( 1.143 0.000 0.156) 1.153 1.800 ( 2.634 0.000 -4.393) 5.122 1.910 ( 0.538 0.000 -0.380) 0.659 1.974 ( 0.843 0.000 -0.841) 1.191 2.130 ( 0.810 0.000 -6.752) 6.801 2.177 ( 4.389 0.000 2.790) 5.201 2.260 ( 0.262 0.000 -7.712) 7.717 2.301 ( -4.020 0.000 3.788) 5.524 2.353 ( -3.889 0.000 4.150) 5.687 2.494 ( 1.773 0.000 1.483) 2.311 2.659 ( 0.439 0.000 -0.952) 1.048 2.812 ( 1.166 0.000 4.468) 4.617 2.920 ( -1.181 0.000 -4.579) 4.729 3.007 ( -5.868 0.000 3.251) 6.708 3.109 ( -0.960 0.000 -1.923) 2.149 3.199 ( -1.193 0.000 4.297) 4.459 3.271 ( -4.924 0.000 -4.368) 6.582 3.400 ( -0.575 0.000 -0.610) 0.838 3.583 ( 3.174 0.000 -6.967) 7.656 3.719 ( 6.516 0.000 -0.744) 6.558 3.795 ( -2.643 0.000 2.602) 3.709 3.829 ( 3.819 0.000 -15.136) 15.610 3.960 ( -6.424 0.000 0.146) 6.425 4.045 ( 3.247 0.000 1.163) 3.449 4.137 ( -1.108 0.000 0.126) 1.115 4.231 ( 2.157 0.000 -6.991) 7.316 4.307 ( -1.934 0.000 0.495) 1.997 4.377 ( 1.016 0.000 -1.345) 1.686 4.523 ( -7.022 0.000 18.151) 19.462 4.640 ( -6.973 0.000 1.200) 7.075 4.733 ( -3.679 0.000 6.518) 7.485 4.743 ( 8.016 0.000 -6.148) 10.103 4.976 ( -7.347 0.000 3.950) 8.342 5.182 ( -5.426 0.000 2.775) 6.095 5.225 ( 1.048 0.000 -9.530) 9.588 5.389 ( -6.847 0.000 4.736) 8.326 5.482 ( -4.418 0.000 6.434) 7.804 5.523 ( 3.247 0.000 3.773) 4.978 5.654 ( 3.413 0.000 1.954) 3.933 5.690 ( -3.010 0.000 2.507) 3.917 5.857 ( 2.407 0.000 -5.843) 6.319 5.891 ( 6.547 0.000 -7.248) 9.768 6.136 ( 6.782 0.000 -5.197) 8.544 6.289 ( -1.014 0.000 -5.256) 5.353 6.622 ( 2.491 0.000 0.557) 2.553 6.631 ( 0.957 0.000 3.444) 3.574 6.973 ( 0.473 0.000 2.659) 2.701 7.039 ( -5.978 0.000 12.287) 13.664 7.271 ( 7.013 0.000 -14.206) 15.843 7.306 ( 3.047 0.000 -2.509) 3.947 7.330 ( 1.608 0.000 5.979) 6.192 7.337 ( 7.542 0.000 -7.726) 10.797 7.544 ( -1.280 0.000 12.022) 12.090 7.654 ( -3.182 0.000 5.607) 6.447 7.794 ( 5.977 0.000 -15.478) 16.592 8.087 ( 0.745 0.000 -1.285) 1.485 8.299 ( -7.442 0.000 1.323) 7.559 8.368 ( -2.081 0.000 4.841) 5.269 8.450 ( 1.242 0.000 2.004) 2.357 8.567 ( 2.849 0.000 -2.723) 3.941 8.721 ( -1.840 0.000 0.518) 1.911 8.784 ( 0.412 0.000 2.527) 2.561 8.954 ( -1.220 0.000 -6.291) 6.408 9.086 ( -0.161 0.000 -0.117) 0.199 9.116 ( -0.824 0.000 1.927) 2.096 9.146 ( -0.279 0.000 2.764) 2.778 9.589 ( 8.435 0.000 -3.183) 9.016 9.693 ( 6.048 0.000 2.163) 6.423 10.152 ( -6.313 0.000 1.500) 6.489 10.172 ( -1.176 0.000 -1.322) 1.769 10.268 ( -4.375 0.000 -0.678) 4.427 10.349 ( -6.992 0.000 -0.709) 7.028 10.589 ( -2.784 0.000 1.615) 3.218 10.611 ( -0.912 0.000 -1.250) 1.547 10.851 ( 6.382 0.000 -3.864) 7.461 10.923 ( 3.723 0.000 4.303) 5.690 11.352 ( -10.070 0.000 -2.017) 10.270 11.450 ( -7.010 0.000 4.834) 8.515 11.534 ( 3.216 0.000 -0.388) 3.239 11.684 ( 4.338 0.000 0.332) 4.351 12.197 ( -3.266 0.000 1.826) 3.742 12.315 ( 3.700 0.000 -9.699) 10.381 12.559 ( 0.224 0.000 1.551) 1.567 13.173 ( 2.269 0.000 -11.238) 11.465 13.204 ( 1.022 0.000 10.420) 10.470 13.405 ( 1.062 0.000 -2.040) 2.300 13.478 ( -1.890 0.000 5.742) 6.045 13.580 ( 4.436 0.000 -0.823) 4.512 13.634 ( 0.326 0.000 0.199) 0.382 13.750 ( 1.799 0.000 -3.361) 3.812 13.957 ( -4.981 0.000 0.848) 5.052 14.120 ( -5.665 0.000 -0.717) 5.711 15.598 ( -2.498 0.000 0.764) 2.612 15.700 ( -1.279 0.000 -0.822) 1.520 16.255 ( 2.928 0.000 0.023) 2.928 16.274 ( 2.794 0.000 -0.115) 2.796 20.673 ( 0.611 0.000 0.758) 0.974 20.708 ( 2.354 0.000 -3.460) 4.184 20.737 ( -0.380 0.000 2.264) 2.296 20.823 ( 1.528 0.000 -1.522) 2.157 21.192 ( -5.866 0.000 1.377) 6.025 21.411 ( -0.707 0.000 -1.410) 1.577 21.630 ( -2.457 0.000 0.770) 2.574 21.686 ( -0.569 0.000 -0.774) 0.960 21.948 ( -4.129 0.000 2.872) 5.029 22.088 ( 0.215 0.000 -1.342) 1.359 22.153 ( 1.365 0.000 -2.917) 3.221 22.195 ( -0.298 0.000 1.160) 1.198 22.517 ( 0.220 0.000 1.125) 1.146 22.756 ( -0.484 0.000 3.173) 3.210 22.792 ( 1.882 0.000 0.329) 1.910 22.946 ( 3.124 0.000 -3.460) 4.662 23.590 ( 0.282 0.000 -0.534) 0.604 23.681 ( -0.766 0.000 -4.497) 4.562 23.702 ( 3.232 0.000 -0.914) 3.359 23.705 ( 1.779 0.000 2.061) 2.722 23.882 ( 0.853 0.000 -1.310) 1.563 23.900 ( 0.397 0.000 1.165) 1.231 24.204 ( -1.265 0.000 1.559) 2.007 24.211 ( -2.381 0.000 -1.381) 2.753 24.336 ( -1.218 0.000 -2.764) 3.020 24.430 ( 0.611 0.000 -0.101) 0.619 24.704 ( -7.062 0.000 -0.410) 7.073 24.915 ( -4.253 0.000 0.121) 4.254 ======================= Grid point 86 (34/88) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -16.847 0.000 14.498) 22.227 0.562 ( -18.726 0.000 16.030) 24.650 0.862 ( -28.214 0.000 22.572) 36.133 1.055 ( 0.341 0.000 -6.332) 6.341 1.288 ( -1.034 0.000 -9.049) 9.108 1.469 ( -2.760 0.000 2.281) 3.581 1.513 ( 1.208 0.000 -2.353) 2.645 1.568 ( 2.486 0.000 -0.327) 2.507 1.628 ( 7.322 0.000 -5.321) 9.051 1.802 ( 1.803 0.000 -6.289) 6.542 1.911 ( -0.091 0.000 2.021) 2.023 1.979 ( 0.274 0.000 -0.834) 0.877 2.120 ( 1.367 0.000 -3.104) 3.392 2.167 ( -4.398 0.000 -0.384) 4.415 2.228 ( 0.119 0.000 -1.848) 1.852 2.304 ( 0.315 0.000 3.359) 3.374 2.367 ( 0.750 0.000 5.938) 5.986 2.595 ( 7.959 0.000 -1.058) 8.029 2.696 ( 2.077 0.000 3.546) 4.109 2.865 ( -3.497 0.000 -6.661) 7.523 2.884 ( 0.469 0.000 8.568) 8.581 2.923 ( -2.192 0.000 1.029) 2.421 2.985 ( -8.522 0.000 0.269) 8.526 3.187 ( -3.302 0.000 2.872) 4.376 3.268 ( 5.612 0.000 -3.833) 6.796 3.390 ( 0.527 0.000 -1.717) 1.796 3.561 ( 3.228 0.000 -12.451) 12.862 3.721 ( -3.948 0.000 -3.133) 5.040 3.809 ( -10.135 0.000 0.516) 10.148 3.813 ( 6.261 0.000 -10.198) 11.966 3.884 ( 8.693 0.000 -1.317) 8.792 4.094 ( 0.844 0.000 1.705) 1.902 4.120 ( -0.259 0.000 -1.208) 1.236 4.209 ( 1.310 0.000 -7.949) 8.057 4.276 ( -3.461 0.000 5.299) 6.329 4.400 ( 1.985 0.000 -0.048) 1.985 4.524 ( -5.786 0.000 14.438) 15.554 4.552 ( -3.204 0.000 1.559) 3.563 4.676 ( -8.074 0.000 6.556) 10.400 4.842 ( 6.858 0.000 -4.360) 8.127 4.883 ( -5.715 0.000 4.149) 7.062 5.120 ( -4.302 0.000 4.714) 6.382 5.136 ( -3.617 0.000 -6.849) 7.745 5.336 ( -1.448 0.000 1.464) 2.059 5.464 ( -3.431 0.000 8.859) 9.501 5.604 ( 1.770 0.000 3.578) 3.992 5.663 ( -2.102 0.000 2.508) 3.272 5.712 ( 4.628 0.000 -2.697) 5.356 5.841 ( -0.421 0.000 -4.220) 4.241 5.922 ( 1.923 0.000 -4.084) 4.513 6.231 ( 9.478 0.000 -10.721) 14.310 6.239 ( -0.377 0.000 -5.117) 5.131 6.661 ( 1.276 0.000 0.354) 1.324 6.665 ( 0.491 0.000 2.566) 2.613 6.989 ( -9.920 0.000 15.061) 18.034 7.010 ( -0.534 0.000 7.775) 7.794 7.274 ( -1.562 0.000 -1.932) 2.485 7.285 ( 4.795 0.000 -11.208) 12.190 7.388 ( -0.025 0.000 3.954) 3.954 7.480 ( 12.484 0.000 -12.227) 17.474 7.586 ( -1.658 0.000 4.484) 4.780 7.662 ( -0.699 0.000 8.999) 9.026 7.814 ( 7.478 0.000 -12.501) 14.567 8.101 ( 1.067 0.000 -0.771) 1.316 8.172 ( -7.806 0.000 2.942) 8.341 8.351 ( -2.231 0.000 1.154) 2.512 8.484 ( 0.858 0.000 1.889) 2.074 8.598 ( 2.797 0.000 -3.158) 4.219 8.691 ( -2.078 0.000 1.369) 2.489 8.825 ( 1.613 0.000 1.895) 2.489 8.881 ( -2.024 0.000 -3.599) 4.129 9.064 ( -1.038 0.000 -2.110) 2.351 9.122 ( -0.148 0.000 2.162) 2.167 9.156 ( -0.952 0.000 3.022) 3.168 9.732 ( 10.016 0.000 -3.469) 10.600 9.815 ( 5.232 0.000 2.086) 5.633 10.044 ( -5.691 0.000 -0.298) 5.699 10.155 ( -0.993 0.000 -1.246) 1.594 10.205 ( -2.566 0.000 0.189) 2.572 10.212 ( -7.032 0.000 0.599) 7.057 10.553 ( -2.117 0.000 1.323) 2.496 10.590 ( -0.016 0.000 -1.625) 1.625 10.939 ( 6.903 0.000 -4.296) 8.131 11.030 ( 4.280 0.000 5.584) 7.036 11.165 ( -9.157 0.000 -1.534) 9.285 11.353 ( -7.559 0.000 4.982) 9.054 11.586 ( 2.270 0.000 0.120) 2.273 11.738 ( 2.058 0.000 -1.836) 2.758 12.156 ( -2.020 0.000 0.524) 2.087 12.314 ( 3.522 0.000 -9.078) 9.737 12.598 ( 1.212 0.000 4.399) 4.563 13.126 ( 1.533 0.000 -11.819) 11.918 13.263 ( -2.900 0.000 9.039) 9.492 13.406 ( 1.989 0.000 -4.007) 4.473 13.499 ( 0.561 0.000 6.757) 6.780 13.593 ( -1.250 0.000 2.243) 2.568 13.722 ( 6.429 0.000 0.426) 6.443 13.755 ( 1.467 0.000 -3.417) 3.719 13.879 ( -4.581 0.000 2.047) 5.018 13.995 ( -7.218 0.000 -0.936) 7.279 15.571 ( -1.315 0.000 1.312) 1.858 15.676 ( -0.588 0.000 -1.382) 1.502 16.298 ( 1.671 0.000 0.078) 1.673 16.312 ( 1.495 0.000 -0.141) 1.502 20.684 ( 0.117 0.000 0.572) 0.584 20.725 ( 1.982 0.000 -3.111) 3.688 20.744 ( -0.410 0.000 2.080) 2.120 20.840 ( 1.017 0.000 -1.238) 1.602 21.109 ( -4.317 0.000 3.350) 5.465 21.382 ( -0.594 0.000 -3.272) 3.325 21.596 ( -1.914 0.000 1.229) 2.275 21.668 ( -0.471 0.000 -1.200) 1.289 21.908 ( -2.741 0.000 3.263) 4.262 22.095 ( 0.750 0.000 0.841) 1.127 22.146 ( 1.088 0.000 -4.923) 5.042 22.200 ( 0.128 0.000 0.784) 0.795 22.540 ( 0.620 0.000 2.963) 3.027 22.775 ( -0.586 0.000 4.889) 4.924 22.807 ( 0.377 0.000 -1.878) 1.915 22.972 ( 2.545 0.000 -3.390) 4.239 23.591 ( 0.450 0.000 -0.614) 0.761 23.621 ( -2.406 0.000 -3.106) 3.930 23.750 ( 2.475 0.000 -0.696) 2.571 23.755 ( 1.300 0.000 1.774) 2.200 23.887 ( 1.211 0.000 -1.394) 1.846 23.906 ( -0.755 0.000 0.934) 1.201 24.152 ( -3.149 0.000 -0.004) 3.149 24.176 ( -1.963 0.000 0.297) 1.985 24.310 ( -0.159 0.000 -0.254) 0.300 24.433 ( 0.217 0.000 -1.513) 1.529 24.621 ( -3.037 0.000 2.417) 3.881 24.851 ( -2.180 0.000 -1.735) 2.786 ======================= Grid point 87 (35/88) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -1.832 8.837 17.674) 19.845 0.644 ( -2.595 14.505 14.837) 20.911 0.936 ( -4.826 16.764 21.123) 27.395 1.126 ( 4.056 6.109 -8.126) 10.945 1.231 ( -1.585 3.152 -9.384) 10.025 1.415 ( -0.342 0.578 0.526) 0.853 1.492 ( 0.163 -2.308 -2.862) 3.680 1.607 ( 2.802 -6.386 -4.976) 8.567 1.726 ( -1.759 1.940 -0.501) 2.667 1.782 ( 4.832 4.530 -2.202) 6.980 1.890 ( 0.813 -4.726 -0.677) 4.843 1.957 ( 1.612 -2.839 -0.984) 3.409 2.050 ( 0.478 0.631 6.295) 6.345 2.148 ( -1.069 -0.163 3.093) 3.277 2.191 ( 1.387 -3.909 -1.022) 4.272 2.335 ( -4.101 4.900 1.748) 6.624 2.430 ( 2.012 -0.978 -0.534) 2.300 2.634 ( 4.856 -6.291 0.707) 7.979 2.697 ( -6.187 0.673 -3.590) 7.185 2.737 ( -2.992 -4.089 3.588) 6.208 2.848 ( -2.795 1.631 1.325) 3.497 2.966 ( 0.994 2.091 3.184) 3.936 3.021 ( 0.225 -5.901 -3.744) 6.992 3.072 ( 1.659 3.462 0.269) 3.849 3.416 ( -0.568 7.917 -0.997) 7.999 3.433 ( 8.620 0.076 -2.900) 9.095 3.628 ( -5.246 0.768 -1.886) 5.627 3.649 ( 1.980 4.021 -6.432) 7.840 3.682 ( -4.956 4.468 -4.360) 7.971 3.816 ( 3.822 -2.622 -9.068) 10.184 3.956 ( 6.785 -5.285 1.335) 8.703 3.999 ( -3.027 -4.908 -1.058) 5.863 4.052 ( -1.683 -6.058 3.030) 6.979 4.172 ( 5.244 -1.205 -2.954) 6.138 4.279 ( -1.909 -8.022 3.385) 8.913 4.316 ( 1.976 -1.397 -0.500) 2.471 4.555 ( -1.376 0.475 6.256) 6.423 4.596 ( -4.829 1.864 3.729) 6.379 4.654 ( -2.535 0.488 4.228) 4.953 4.802 ( -0.747 -3.923 6.970) 8.033 4.863 ( 0.392 1.762 -1.148) 2.139 4.987 ( 1.974 -4.888 -5.769) 7.815 5.159 ( -1.674 3.568 5.188) 6.515 5.237 ( -1.907 1.293 4.589) 5.134 5.571 ( -2.909 -2.091 0.983) 3.715 5.589 ( 2.111 3.568 1.579) 4.437 5.685 ( -2.967 -5.322 -3.077) 6.826 5.790 ( -1.539 7.734 3.917) 8.805 5.883 ( 5.053 1.226 -9.331) 10.682 5.986 ( 5.417 6.664 -3.146) 9.146 6.196 ( 0.115 4.325 -2.279) 4.890 6.399 ( 4.085 6.804 -8.565) 11.677 6.599 ( -0.915 -5.066 3.131) 6.026 6.751 ( -0.250 3.778 -0.915) 3.895 6.931 ( -6.004 1.069 11.294) 12.835 7.039 ( -4.515 -1.128 8.886) 10.031 7.216 ( 0.382 -3.810 -2.852) 4.775 7.266 ( 1.832 -0.053 -6.166) 6.432 7.380 ( -2.443 -0.006 1.744) 3.002 7.447 ( -4.236 -9.046 3.452) 10.569 7.598 ( 6.324 -5.753 -0.972) 8.604 7.635 ( 3.979 -0.387 -3.313) 5.192 7.897 ( 3.195 -4.864 -4.407) 7.300 7.920 ( -1.332 -2.884 -5.385) 6.252 8.138 ( 1.014 -2.920 4.495) 5.455 8.260 ( -3.121 -4.326 -1.003) 5.428 8.444 ( 1.668 -13.972 1.416) 14.142 8.487 ( -0.153 -2.198 1.302) 2.559 8.594 ( -1.999 -14.015 -2.132) 14.316 8.676 ( 1.578 0.314 -2.257) 2.772 8.862 ( -2.061 -3.571 4.599) 6.177 9.026 ( 0.703 -2.673 -2.669) 3.843 9.208 ( -1.597 6.563 1.157) 6.852 9.250 ( 0.836 6.225 0.451) 6.297 9.861 ( -4.239 2.432 -1.280) 5.052 9.879 ( 7.286 -0.266 -2.464) 7.696 10.044 ( -0.600 0.242 1.414) 1.555 10.073 ( -1.572 1.695 -0.767) 2.436 10.326 ( -0.684 11.373 -0.278) 11.397 10.351 ( 0.919 15.042 -1.588) 15.153 10.568 ( -1.119 2.999 1.020) 3.360 10.618 ( 1.755 2.036 -1.162) 2.928 11.033 ( -4.742 1.248 0.120) 4.905 11.079 ( 5.945 2.296 -3.143) 7.105 11.261 ( 3.013 9.938 3.375) 10.919 11.316 ( -5.515 6.855 3.493) 9.466 11.621 ( -0.227 2.027 3.090) 3.703 11.827 ( 0.062 9.833 -4.124) 10.663 12.164 ( -0.285 2.591 -0.375) 2.633 12.305 ( 2.444 -0.753 -5.942) 6.469 12.640 ( -0.231 -1.176 6.369) 6.481 13.022 ( 0.580 -3.557 -11.014) 11.589 13.230 ( -4.713 -1.063 4.691) 6.734 13.408 ( 4.322 -2.415 -3.448) 6.033 13.541 ( -0.190 -2.608 5.085) 5.718 13.591 ( 0.213 -2.715 3.907) 4.762 13.705 ( -0.258 -2.512 0.113) 2.528 13.781 ( -0.725 -3.339 1.681) 3.808 13.803 ( -2.029 -2.216 -0.968) 3.157 13.851 ( 2.243 -4.558 -0.222) 5.085 15.586 ( -0.141 1.598 1.551) 2.231 15.669 ( 0.241 0.557 -1.971) 2.062 16.306 ( 0.071 -0.797 0.148) 0.813 16.314 ( -0.025 -0.951 -0.192) 0.970 20.695 ( -0.298 1.053 0.565) 1.231 20.746 ( 0.207 2.157 -0.678) 2.270 20.768 ( -0.308 0.800 1.082) 1.381 20.836 ( 0.332 0.286 -1.006) 1.097 21.092 ( -0.001 -1.465 5.189) 5.392 21.318 ( 0.405 -3.672 -4.730) 6.002 21.589 ( -0.652 0.386 -0.064) 0.761 21.646 ( 0.429 -1.103 -1.511) 1.919 21.921 ( -0.873 2.248 3.663) 4.386 22.106 ( 0.576 -0.235 -1.942) 2.039 22.150 ( 0.529 1.009 -1.855) 2.177 22.187 ( 0.291 -1.503 -1.354) 2.044 22.589 ( 0.211 1.093 4.760) 4.889 22.768 ( -0.924 -1.756 3.521) 4.041 22.804 ( -0.601 1.257 -1.940) 2.388 22.984 ( 1.619 -0.945 -3.988) 4.406 23.605 ( -0.106 2.701 0.515) 2.751 23.643 ( 0.164 4.001 -1.282) 4.205 23.772 ( -0.799 0.631 0.904) 1.361 23.789 ( 1.281 0.818 0.312) 1.551 23.892 ( -1.543 0.442 0.065) 1.606 23.910 ( 1.074 0.426 -0.645) 1.324 24.096 ( 0.063 -2.586 0.700) 2.680 24.125 ( -0.160 -2.956 -0.397) 2.987 24.328 ( 0.590 0.328 1.419) 1.571 24.437 ( 0.306 1.669 -3.321) 3.729 24.597 ( 0.020 -2.043 4.442) 4.890 24.783 ( -0.315 -2.654 -3.527) 4.425 ======================= Grid point 88 (36/88) ======================= q-point: ( 0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 9.716 10.427 11.638) 18.400 0.758 ( 3.703 12.913 11.150) 17.458 1.104 ( 5.740 5.125 6.786) 10.260 1.135 ( 3.514 4.030 -8.568) 10.100 1.233 ( 7.496 7.247 3.536) 11.010 1.408 ( -0.456 -0.952 -0.747) 1.293 1.477 ( 0.505 -1.379 -2.367) 2.786 1.616 ( 1.244 -4.840 -4.106) 6.468 1.700 ( 0.182 1.482 -1.941) 2.448 1.841 ( 0.723 -2.340 1.790) 3.034 1.871 ( 0.451 2.128 -3.141) 3.821 1.996 ( 2.949 -2.047 -1.384) 3.848 2.072 ( -3.718 2.400 6.067) 7.509 2.188 ( 3.153 -1.019 2.024) 3.883 2.201 ( -2.183 -1.156 -2.627) 3.606 2.302 ( 2.356 2.206 1.151) 3.427 2.427 ( -0.305 -1.394 -0.679) 1.581 2.557 ( -2.982 5.139 -4.892) 7.696 2.704 ( -2.296 -7.764 8.155) 11.492 2.731 ( -0.126 -3.091 0.589) 3.150 2.840 ( 2.704 -1.321 -2.751) 4.077 3.005 ( 0.946 0.757 3.339) 3.552 3.017 ( 0.693 -5.659 -1.443) 5.881 3.107 ( 2.520 2.536 -1.214) 3.776 3.402 ( -1.056 8.818 -1.039) 8.942 3.479 ( -2.674 -1.135 -7.722) 8.250 3.508 ( -5.024 4.476 3.118) 7.416 3.635 ( 5.191 0.334 -2.196) 5.647 3.658 ( 3.866 5.725 -10.027) 12.176 3.814 ( 1.454 -4.189 -5.186) 6.823 3.941 ( -1.096 -3.419 -0.923) 3.707 4.038 ( 0.840 -2.717 1.386) 3.164 4.107 ( 5.021 -6.677 0.473) 8.367 4.231 ( -0.795 -2.613 1.775) 3.257 4.265 ( 0.608 -5.297 2.452) 5.868 4.363 ( 4.562 -4.709 -4.593) 8.005 4.509 ( -2.754 2.942 0.151) 4.033 4.599 ( -3.840 -1.493 10.248) 11.045 4.678 ( 2.419 -1.506 3.772) 4.727 4.851 ( 0.469 -2.874 8.264) 8.762 4.885 ( 2.942 2.544 -2.318) 4.527 5.002 ( 3.901 -3.843 -4.874) 7.331 5.178 ( -0.500 3.157 4.059) 5.167 5.241 ( -1.726 0.683 5.307) 5.623 5.505 ( -4.873 -2.430 -0.652) 5.485 5.620 ( -0.921 0.891 -2.273) 2.610 5.646 ( 2.183 1.461 2.429) 3.578 5.801 ( 0.337 4.930 2.165) 5.395 5.882 ( 0.408 0.499 -4.584) 4.629 6.066 ( 7.749 4.986 -9.004) 12.883 6.185 ( 0.314 5.580 -0.726) 5.636 6.408 ( 3.340 5.676 -7.817) 10.221 6.588 ( -3.298 -5.099 4.245) 7.410 6.717 ( -3.482 2.855 0.367) 4.518 6.894 ( -5.356 5.892 8.126) 11.378 7.014 ( -4.262 -1.802 5.703) 7.344 7.191 ( -1.382 -4.604 -1.266) 4.970 7.264 ( 1.998 -0.084 -5.382) 5.742 7.323 ( -5.976 0.041 3.853) 7.111 7.402 ( -1.539 -6.717 -0.141) 6.893 7.634 ( -0.305 0.307 -5.538) 5.555 7.677 ( -0.663 -10.143 7.830) 12.831 7.871 ( 2.772 -0.701 -7.203) 7.750 7.953 ( 5.559 -5.345 -5.316) 9.367 8.201 ( -0.722 -5.527 0.201) 5.577 8.207 ( 1.117 -2.910 3.212) 4.476 8.475 ( -0.224 -9.809 1.801) 9.975 8.494 ( 0.605 -5.562 1.326) 5.749 8.543 ( -1.822 -13.825 -1.963) 14.082 8.692 ( 1.810 2.575 -2.150) 3.812 8.856 ( -2.190 -6.769 3.724) 8.030 9.028 ( 1.870 -0.621 -2.783) 3.410 9.190 ( -1.735 4.671 2.077) 5.398 9.267 ( 0.991 6.424 -0.171) 6.502 9.726 ( -7.005 1.212 -1.474) 7.260 9.883 ( -8.212 2.168 0.250) 8.497 10.057 ( 8.969 -1.232 -1.898) 9.250 10.176 ( 5.692 4.225 0.553) 7.110 10.319 ( 0.776 10.022 -0.409) 10.061 10.355 ( 0.512 14.448 -0.768) 14.477 10.556 ( -0.190 1.532 0.101) 1.547 10.666 ( 3.341 2.276 -0.001) 4.042 10.949 ( -3.717 5.806 -1.292) 7.014 11.150 ( 0.845 -1.982 0.163) 2.161 11.263 ( 0.354 10.706 0.212) 10.714 11.364 ( 4.821 5.168 4.036) 8.139 11.633 ( -1.369 2.935 4.088) 5.215 11.786 ( -0.965 10.741 -4.402) 11.648 12.158 ( -0.052 3.573 -0.633) 3.629 12.313 ( 3.383 -1.612 -5.593) 6.732 12.675 ( -1.259 -1.529 7.654) 7.906 12.930 ( -2.135 -1.362 -10.583) 10.882 13.200 ( -1.490 -4.058 2.867) 5.187 13.469 ( 3.232 -2.466 -0.641) 4.116 13.545 ( -1.551 -4.132 2.209) 4.935 13.614 ( -1.516 -3.863 0.230) 4.156 13.633 ( -5.412 -0.916 2.221) 5.922 13.725 ( -1.558 -0.644 -1.509) 2.263 13.862 ( 4.446 -4.770 3.183) 7.256 13.946 ( 6.468 -4.164 -1.241) 7.792 15.604 ( 0.862 1.386 1.760) 2.400 15.666 ( 1.111 0.767 -2.113) 2.508 16.291 ( -1.730 -0.957 0.072) 1.978 16.301 ( -1.309 -0.719 -0.142) 1.500 20.686 ( -1.079 1.092 0.156) 1.543 20.735 ( -0.576 1.976 -0.147) 2.063 20.769 ( -0.951 0.971 1.570) 2.076 20.840 ( 0.968 0.609 -1.637) 1.997 21.154 ( 2.184 -2.188 5.341) 6.171 21.302 ( 1.865 -2.727 -5.120) 6.093 21.594 ( 1.082 -0.226 0.468) 1.201 21.651 ( 1.304 -0.909 -1.448) 2.150 21.944 ( 0.405 2.529 3.927) 4.689 22.092 ( 0.505 0.134 -3.932) 3.967 22.155 ( 0.328 -0.219 0.848) 0.935 22.177 ( 0.062 -1.580 -2.272) 2.768 22.624 ( -0.548 0.986 5.881) 5.988 22.739 ( -1.480 0.986 -4.108) 4.476 22.798 ( -1.373 -0.926 3.996) 4.325 22.971 ( -0.013 -1.620 -4.137) 4.443 23.615 ( 0.665 2.344 0.017) 2.437 23.645 ( 1.358 3.511 -1.543) 4.069 23.748 ( -2.417 1.508 0.372) 2.873 23.812 ( 0.146 0.696 1.725) 1.866 23.854 ( -1.651 0.810 -1.667) 2.482 23.919 ( 0.327 0.164 0.244) 0.440 24.128 ( 1.148 -2.805 0.155) 3.034 24.145 ( 3.777 -2.834 0.175) 4.725 24.349 ( 0.416 -0.288 1.177) 1.281 24.421 ( 0.726 2.148 -3.368) 4.060 24.656 ( 2.835 -3.049 5.117) 6.597 24.762 ( 1.184 -2.689 -4.346) 5.246 ======================= Grid point 89 (37/88) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 7.061 9.294 4.687) 12.578 1.022 ( 10.150 6.472 7.317) 14.087 1.160 ( 7.254 -1.014 -7.049) 10.166 1.207 ( 3.571 7.212 -0.677) 8.076 1.394 ( 1.920 -1.408 -1.266) 2.697 1.436 ( 3.718 -1.190 4.041) 5.619 1.482 ( 3.383 1.103 -0.960) 3.686 1.586 ( -1.711 -0.627 0.308) 1.849 1.708 ( 2.785 -1.106 -3.398) 4.531 1.843 ( 0.595 -2.307 0.140) 2.386 1.881 ( 0.341 5.871 -0.327) 5.890 2.012 ( -1.858 -1.114 -0.232) 2.179 2.016 ( -4.015 5.587 2.527) 7.329 2.130 ( -3.251 -0.833 -0.462) 3.388 2.264 ( 2.934 0.853 -1.442) 3.379 2.328 ( 3.909 -1.139 -3.951) 5.674 2.516 ( 0.767 2.845 6.973) 7.570 2.548 ( 10.722 1.160 -4.409) 11.651 2.685 ( -4.565 -9.070 7.278) 12.493 2.733 ( 1.417 3.307 -4.258) 5.575 2.874 ( 2.056 -4.772 -0.176) 5.200 2.985 ( -2.755 -3.931 0.952) 4.893 3.070 ( 2.307 -2.609 0.573) 3.530 3.134 ( 1.067 1.964 -0.933) 2.422 3.341 ( -0.197 1.722 -8.331) 8.509 3.379 ( -2.253 8.299 -0.059) 8.599 3.531 ( 3.294 6.014 3.493) 7.696 3.647 ( 3.358 4.515 -8.576) 10.257 3.743 ( 5.301 -2.902 0.956) 6.119 3.797 ( 0.856 -5.683 -4.330) 7.196 3.946 ( 1.757 -1.665 -1.293) 2.744 4.037 ( -1.407 -0.607 1.682) 2.275 4.180 ( 1.698 -6.288 1.433) 6.669 4.210 ( -0.866 -3.557 0.696) 3.726 4.304 ( 1.114 -1.961 1.439) 2.676 4.393 ( 3.085 -5.631 -7.675) 10.006 4.478 ( 1.049 0.730 -5.606) 5.750 4.607 ( -4.620 -3.485 14.063) 15.207 4.758 ( 1.775 -5.238 5.319) 7.673 4.911 ( 0.720 0.099 0.603) 0.945 4.942 ( 3.543 -2.833 4.901) 6.678 5.050 ( 4.219 0.109 -2.987) 5.170 5.178 ( -1.879 1.202 2.144) 3.094 5.258 ( -0.280 1.732 4.319) 4.662 5.404 ( -4.852 0.886 -1.233) 5.084 5.610 ( 1.326 2.125 -2.888) 3.823 5.708 ( 1.995 1.054 3.759) 4.384 5.827 ( 1.049 4.600 0.652) 4.763 5.842 ( -1.644 1.588 -1.846) 2.939 6.098 ( 0.383 -0.827 -3.515) 3.631 6.219 ( 6.538 6.301 -7.242) 11.615 6.407 ( 1.757 5.805 -5.531) 8.209 6.537 ( -6.535 -4.645 6.040) 10.038 6.637 ( -4.999 2.459 -0.126) 5.572 6.853 ( -3.687 6.979 2.674) 8.334 6.974 ( -2.938 1.138 2.264) 3.880 7.147 ( -2.061 -5.095 -2.013) 5.853 7.234 ( -5.008 1.337 2.459) 5.737 7.262 ( -1.215 -0.303 0.926) 1.557 7.381 ( -0.405 -4.200 -1.642) 4.527 7.573 ( -3.183 -0.853 -0.374) 3.316 7.704 ( -2.383 -11.330 8.074) 14.115 7.883 ( 3.626 2.114 -7.473) 8.571 8.028 ( 7.676 -8.680 -7.524) 13.816 8.169 ( -0.525 -6.295 -1.418) 6.474 8.284 ( 1.555 -4.623 5.936) 7.683 8.469 ( -0.243 -4.990 -1.013) 5.098 8.510 ( -0.275 -12.070 -1.388) 12.152 8.522 ( 0.010 -9.498 4.030) 10.318 8.703 ( 0.393 3.993 -1.200) 4.187 8.834 ( -2.076 -8.379 1.551) 8.771 9.054 ( 2.766 0.565 -2.081) 3.507 9.174 ( -1.861 3.156 2.508) 4.440 9.283 ( 0.938 6.255 -0.461) 6.342 9.601 ( -5.854 1.518 -1.224) 6.170 9.734 ( -8.160 2.054 0.603) 8.436 10.203 ( 8.309 -0.126 -2.440) 8.661 10.256 ( 3.039 8.129 1.783) 8.859 10.358 ( 2.207 10.543 -0.757) 10.798 10.375 ( 3.982 7.657 -0.157) 8.632 10.564 ( 1.019 -0.050 -0.216) 1.043 10.720 ( 1.787 2.459 1.180) 3.260 10.885 ( -2.048 8.182 -2.038) 8.677 11.088 ( -6.345 4.307 1.774) 7.871 11.346 ( 6.982 4.019 -1.074) 8.127 11.483 ( 5.489 1.212 2.341) 6.089 11.628 ( -2.654 5.502 4.567) 7.628 11.740 ( -0.751 12.354 -3.243) 12.794 12.154 ( 0.547 3.413 -1.505) 3.770 12.356 ( 5.469 -1.578 -4.451) 7.226 12.707 ( -1.467 -1.819 8.457) 8.774 12.808 ( -2.912 -0.662 -9.899) 10.340 13.205 ( -0.495 -5.602 2.723) 6.248 13.465 ( -4.388 -3.855 2.716) 6.441 13.492 ( -5.407 -1.704 -1.832) 5.958 13.572 ( 1.122 -4.367 0.448) 4.531 13.627 ( 0.544 -1.587 0.354) 1.715 13.697 ( 0.016 0.163 -3.070) 3.075 13.965 ( 3.325 -5.954 4.474) 8.156 14.046 ( 5.921 -4.308 -2.349) 7.690 15.640 ( 1.671 1.142 1.585) 2.571 15.681 ( 2.104 1.092 -1.779) 2.964 16.248 ( -2.957 -1.029 -0.019) 3.131 16.265 ( -2.645 -0.500 -0.072) 2.692 20.660 ( -1.585 0.892 -0.302) 1.844 20.729 ( -0.655 0.876 0.849) 1.385 20.755 ( -1.017 1.367 0.401) 1.750 20.842 ( 0.701 0.801 -2.063) 2.322 21.235 ( 2.818 -2.177 4.483) 5.726 21.314 ( 2.951 -1.971 -3.672) 5.107 21.629 ( 2.171 -0.138 0.711) 2.288 21.670 ( 1.632 -0.256 -0.911) 1.887 21.987 ( 1.392 1.719 3.152) 3.851 22.078 ( 0.803 0.266 -3.069) 3.184 22.153 ( -0.255 -1.005 -2.103) 2.345 22.176 ( 0.617 -0.845 1.061) 1.489 22.647 ( -1.457 0.617 3.744) 4.065 22.682 ( -1.439 1.556 -2.432) 3.226 22.795 ( -2.052 -0.901 3.492) 4.150 22.924 ( -1.756 -2.423 -4.287) 5.228 23.627 ( 0.679 2.134 0.103) 2.242 23.660 ( 0.699 2.146 -1.336) 2.623 23.706 ( -1.405 3.942 -0.218) 4.191 23.788 ( -2.759 1.328 0.478) 3.099 23.845 ( 1.046 0.546 -0.907) 1.489 23.920 ( -0.702 -0.097 0.338) 0.786 24.146 ( 0.502 -2.397 0.611) 2.524 24.225 ( 4.329 -3.011 -0.278) 5.280 24.355 ( -0.013 0.962 -0.137) 0.971 24.420 ( 0.998 1.495 -1.557) 2.378 24.768 ( 5.541 -4.627 4.203) 8.354 24.774 ( 3.869 -3.634 -4.070) 6.688 ======================= Grid point 90 (38/88) ======================= q-point: ( 0.30 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 6.960 4.828 0.578) 8.490 1.170 ( 5.067 -0.901 -3.388) 6.162 1.233 ( -0.780 2.943 1.430) 3.364 1.239 ( 1.449 1.855 0.395) 2.387 1.410 ( -0.256 -3.140 2.049) 3.758 1.444 ( 3.387 0.139 -2.508) 4.217 1.564 ( 1.721 -1.182 0.046) 2.088 1.666 ( 7.932 2.557 4.400) 9.424 1.751 ( 5.093 -2.539 -4.423) 7.207 1.857 ( 0.160 5.978 2.344) 6.423 1.865 ( -2.022 -1.465 -2.188) 3.320 1.949 ( -3.035 1.575 -1.042) 3.575 1.983 ( -1.157 5.020 1.271) 5.306 2.089 ( -0.427 0.287 -0.913) 1.048 2.250 ( -1.210 2.672 -2.963) 4.169 2.410 ( 2.325 1.228 2.435) 3.583 2.554 ( 2.512 -2.826 -2.470) 4.517 2.651 ( -1.848 -5.036 2.247) 5.816 2.741 ( 6.195 -1.445 -2.575) 6.863 2.757 ( 4.963 2.282 2.320) 5.935 2.929 ( 2.901 -1.966 -0.153) 3.508 2.964 ( 1.745 -3.868 1.375) 4.461 3.059 ( -0.056 1.945 -1.218) 2.296 3.168 ( 3.064 0.490 0.537) 3.149 3.314 ( -1.396 1.057 1.654) 2.408 3.416 ( 6.090 8.771 -0.542) 10.691 3.629 ( 4.969 2.985 0.607) 5.828 3.658 ( 2.161 2.771 -2.574) 4.355 3.765 ( 0.134 0.127 -5.212) 5.215 3.846 ( 5.315 -7.341 -1.534) 9.192 3.966 ( -0.340 -0.565 2.830) 2.906 4.046 ( 3.779 -0.343 -3.796) 5.368 4.192 ( -0.592 -4.442 2.352) 5.061 4.217 ( 1.196 -3.686 -1.852) 4.295 4.319 ( -0.199 -2.412 -0.688) 2.517 4.356 ( -1.748 -2.370 -4.814) 5.643 4.462 ( 3.397 -1.272 -10.418) 11.031 4.628 ( -4.257 -5.998 13.919) 15.743 4.780 ( -4.646 -8.640 5.963) 11.480 4.915 ( 0.681 -4.931 -1.115) 5.101 5.030 ( -0.007 0.554 7.857) 7.877 5.103 ( 3.838 2.631 -2.247) 5.168 5.168 ( 0.491 1.918 0.861) 2.159 5.279 ( 0.396 0.585 -0.097) 0.713 5.335 ( -2.086 4.604 1.309) 5.221 5.600 ( -0.369 1.978 -3.937) 4.421 5.756 ( 0.429 0.394 2.373) 2.443 5.809 ( -0.977 7.235 1.993) 7.568 5.860 ( 2.779 0.396 -2.054) 3.479 6.040 ( -7.864 -2.327 5.843) 10.069 6.286 ( 8.199 1.396 -12.397) 14.928 6.379 ( -5.011 4.244 2.771) 7.127 6.456 ( -3.408 -2.420 0.358) 4.195 6.555 ( -2.325 5.324 -3.274) 6.668 6.803 ( -2.289 5.392 -0.848) 5.919 6.948 ( -0.407 4.361 -1.138) 4.525 7.103 ( -1.037 -3.412 -1.736) 3.967 7.173 ( -4.526 0.045 5.028) 6.765 7.257 ( -1.474 1.616 4.068) 4.619 7.363 ( -0.206 -3.676 -1.585) 4.008 7.524 ( -3.034 0.046 1.905) 3.583 7.711 ( -3.003 -11.310 7.521) 13.910 7.891 ( 3.582 1.587 -8.363) 9.236 8.107 ( 7.038 -9.556 -8.907) 14.839 8.162 ( -0.326 -7.883 1.392) 8.011 8.334 ( 0.200 -8.589 3.941) 9.452 8.454 ( 0.826 -5.645 -5.017) 7.597 8.517 ( 0.525 -7.800 1.214) 7.912 8.552 ( 0.262 -9.017 4.725) 10.183 8.681 ( -2.804 2.177 1.707) 3.939 8.819 ( 0.055 -5.270 0.007) 5.270 9.088 ( 2.146 -0.644 -1.772) 2.857 9.161 ( -1.268 3.731 2.211) 4.519 9.291 ( 0.242 6.099 -0.431) 6.119 9.502 ( -4.035 2.040 -1.229) 4.686 9.607 ( -6.442 1.916 0.752) 6.762 10.298 ( 4.614 6.911 -0.690) 8.338 10.354 ( 5.903 1.541 1.010) 6.183 10.400 ( 3.677 10.767 -0.445) 11.386 10.464 ( 5.143 3.962 -0.505) 6.512 10.580 ( 0.789 -1.292 -0.347) 1.553 10.730 ( -2.270 3.006 1.994) 4.262 10.850 ( 0.112 8.590 -2.694) 9.003 10.976 ( -7.477 7.109 1.853) 10.482 11.457 ( 5.146 1.190 -0.371) 5.295 11.560 ( 1.623 4.651 -0.924) 5.012 11.619 ( -1.282 7.015 4.799) 8.595 11.734 ( 2.366 9.319 -1.536) 9.737 12.162 ( 1.774 2.444 -2.017) 3.631 12.440 ( 6.694 -1.390 -4.302) 8.078 12.698 ( -1.947 -0.811 -7.481) 7.773 12.739 ( -1.961 -2.234 8.680) 9.175 13.214 ( -0.994 -5.834 3.105) 6.683 13.380 ( -5.759 -6.245 -0.714) 8.525 13.397 ( -3.681 1.364 0.573) 3.967 13.578 ( -1.625 -3.348 2.347) 4.400 13.653 ( 2.582 -1.818 -2.063) 3.772 13.681 ( 1.144 -0.052 -4.195) 4.349 14.034 ( 0.626 -6.758 4.769) 8.295 14.123 ( 4.724 -4.837 -3.098) 7.437 15.685 ( 2.213 0.995 1.112) 2.669 15.715 ( 2.774 1.377 -1.109) 3.290 16.190 ( -3.421 -1.021 -0.009) 3.570 16.209 ( -3.383 -0.399 -0.058) 3.407 20.630 ( -1.402 0.637 -0.299) 1.569 20.710 ( -2.249 -0.419 1.901) 2.975 20.751 ( 0.812 1.904 -1.575) 2.601 20.836 ( 0.287 1.145 -2.046) 2.362 21.314 ( 2.660 -1.835 3.307) 4.623 21.349 ( 2.805 -1.740 -1.802) 3.761 21.673 ( 1.937 0.345 0.610) 2.060 21.693 ( 1.292 0.517 -0.378) 1.442 22.030 ( 1.433 -0.407 1.128) 1.869 22.078 ( 0.820 -0.024 -1.262) 1.505 22.141 ( 0.809 0.856 -1.618) 2.001 22.198 ( 0.781 -0.891 1.171) 1.666 22.606 ( -1.467 0.278 -3.281) 3.605 22.678 ( -1.418 1.149 4.413) 4.776 22.774 ( -2.544 -0.626 2.481) 3.608 22.854 ( -2.554 -3.090 -3.693) 5.450 23.623 ( -1.555 2.836 0.537) 3.279 23.658 ( 0.187 1.518 -0.140) 1.536 23.698 ( 0.356 5.191 -0.733) 5.254 23.757 ( -0.480 1.045 -0.689) 1.340 23.858 ( 1.248 1.094 -0.777) 1.832 23.899 ( -1.724 0.274 0.199) 1.757 24.153 ( -0.393 -1.896 1.225) 2.291 24.276 ( 1.922 -2.696 -1.592) 3.674 24.355 ( 0.256 2.346 -0.030) 2.360 24.429 ( 0.599 0.956 -0.305) 1.169 24.842 ( 6.321 -5.290 -3.156) 8.826 24.900 ( 5.811 -6.142 2.723) 8.884 ======================= Grid point 91 (39/88) ======================= q-point: ( 0.40 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.915 -1.060 -0.881) 2.360 1.159 ( 4.339 2.002 -1.855) 5.126 1.216 ( -2.084 1.947 1.624) 3.282 1.267 ( 2.102 -0.967 -0.584) 2.386 1.465 ( 3.333 -1.020 1.436) 3.769 1.492 ( 3.010 1.007 -1.702) 3.601 1.581 ( 0.513 -3.142 0.153) 3.188 1.725 ( -2.116 0.040 1.384) 2.528 1.768 ( -2.879 -3.299 -3.581) 5.656 1.853 ( -1.376 1.794 -1.117) 2.522 1.911 ( 5.959 1.002 1.244) 6.169 1.948 ( 2.188 -0.662 1.388) 2.675 1.994 ( 3.754 7.766 1.823) 8.816 2.105 ( 3.513 2.138 -2.747) 4.945 2.190 ( -3.532 1.853 -1.624) 4.306 2.406 ( -4.316 4.301 2.909) 6.752 2.575 ( 0.739 -7.289 1.425) 7.464 2.645 ( -0.714 -0.181 2.960) 3.050 2.817 ( 3.981 -1.950 -2.852) 5.271 2.835 ( 2.048 0.020 1.977) 2.846 2.954 ( 2.217 -0.577 0.080) 2.293 3.012 ( 3.374 -1.532 -1.989) 4.206 3.161 ( 7.029 2.887 0.492) 7.614 3.225 ( 0.751 -0.620 2.351) 2.545 3.332 ( 1.811 0.921 4.951) 5.351 3.510 ( 1.748 6.036 1.275) 6.412 3.658 ( 0.378 0.994 -3.850) 3.994 3.698 ( 2.334 -0.169 -1.216) 2.638 3.755 ( 3.479 5.623 -2.366) 7.023 3.913 ( 3.678 -5.686 -3.561) 7.651 3.977 ( 1.037 -0.766 -1.481) 1.963 4.102 ( 4.785 -1.765 -5.097) 7.210 4.188 ( -1.330 -1.504 -2.005) 2.838 4.235 ( 1.782 -5.775 0.941) 6.117 4.281 ( 0.394 -8.413 -4.251) 9.434 4.302 ( -3.268 4.905 1.874) 6.185 4.450 ( 3.436 0.662 -9.934) 10.533 4.644 ( -4.503 -6.642 12.240) 14.635 4.685 ( -7.876 -9.114 1.264) 12.112 4.929 ( 1.907 -5.883 -1.227) 6.305 5.045 ( -4.505 4.150 10.070) 11.787 5.148 ( 2.399 0.886 -0.924) 2.719 5.210 ( 1.535 0.081 1.705) 2.296 5.265 ( 0.867 0.043 -2.409) 2.560 5.365 ( 3.133 6.654 1.440) 7.494 5.542 ( -1.748 1.078 -5.096) 5.494 5.766 ( -0.433 4.738 0.962) 4.854 5.814 ( -0.534 4.453 2.069) 4.939 5.883 ( -6.787 -1.041 4.422) 8.167 5.924 ( -2.537 -2.993 3.460) 5.231 6.258 ( -11.844 1.946 9.229) 15.141 6.337 ( 6.024 -1.760 -8.913) 10.901 6.447 ( 3.763 0.221 -5.699) 6.833 6.518 ( 2.147 8.850 -7.335) 11.693 6.769 ( -0.250 3.357 -1.851) 3.842 6.941 ( 2.038 5.976 -5.088) 8.109 7.090 ( 0.423 -0.928 -0.243) 1.049 7.148 ( -3.465 -2.144 8.306) 9.252 7.262 ( -1.832 2.161 5.002) 5.748 7.356 ( 0.005 -3.134 0.514) 3.175 7.486 ( -2.980 1.550 2.617) 4.258 7.701 ( -3.785 -10.259 6.599) 12.772 7.893 ( 3.979 1.373 -10.319) 11.144 8.137 ( 4.046 -9.158 -10.317) 14.376 8.177 ( -1.147 -9.716 5.431) 11.190 8.362 ( 1.262 -12.135 0.972) 12.239 8.431 ( 1.106 -5.403 -5.785) 7.993 8.508 ( -2.014 -8.923 -0.771) 9.180 8.608 ( 1.691 -5.641 4.070) 7.159 8.652 ( -2.695 -0.657 6.341) 6.921 8.832 ( 1.064 -1.546 0.172) 1.884 9.089 ( -0.698 -2.967 -1.669) 3.475 9.173 ( 1.399 6.214 0.827) 6.423 9.280 ( -1.164 5.801 -0.559) 5.943 9.447 ( -1.143 2.547 -0.672) 2.872 9.517 ( -4.070 1.667 0.544) 4.432 10.383 ( 4.848 6.283 0.099) 7.936 10.450 ( 3.643 0.645 0.905) 3.808 10.486 ( 6.042 8.757 -0.669) 10.660 10.539 ( 3.279 3.713 -0.565) 4.986 10.582 ( -0.364 -1.936 -0.417) 2.014 10.674 ( -4.529 4.315 1.002) 6.335 10.844 ( -0.683 8.050 -1.340) 8.190 10.854 ( -6.130 8.230 1.831) 10.424 11.499 ( -0.169 6.300 0.839) 6.358 11.579 ( 1.560 9.371 -0.691) 9.525 11.630 ( -0.522 5.895 3.050) 6.658 11.783 ( 3.533 1.459 -2.556) 4.598 12.188 ( 2.543 1.614 -1.790) 3.504 12.480 ( 2.030 -0.988 -9.909) 10.164 12.681 ( 3.676 -2.170 1.202) 4.435 12.753 ( -3.192 -2.339 8.036) 8.958 13.213 ( -0.638 -4.242 1.425) 4.520 13.276 ( -4.949 -6.368 -1.012) 8.128 13.363 ( -1.290 1.437 2.617) 3.253 13.556 ( -2.076 -1.931 1.271) 3.108 13.671 ( 2.035 -0.966 -4.109) 4.686 13.686 ( 1.849 -1.756 -2.580) 3.627 14.056 ( -1.817 -7.400 4.671) 8.937 14.171 ( 3.208 -5.475 -3.286) 7.146 15.730 ( 1.715 1.190 1.021) 2.323 15.758 ( 2.478 1.360 -0.854) 2.953 16.134 ( -2.526 -0.869 0.115) 2.674 16.150 ( -2.762 -0.563 -0.152) 2.823 20.610 ( -0.619 0.542 0.247) 0.859 20.687 ( -1.726 -0.750 1.934) 2.699 20.751 ( 0.747 1.684 -2.573) 3.164 20.827 ( 0.356 1.385 -1.721) 2.238 21.369 ( 1.011 -1.333 2.175) 2.744 21.384 ( 2.083 -1.811 -0.567) 2.818 21.702 ( 0.866 0.652 0.296) 1.124 21.709 ( 0.660 0.998 -0.052) 1.198 22.053 ( 0.840 -1.841 0.130) 2.028 22.086 ( 0.770 -0.253 -0.435) 0.920 22.158 ( 1.362 1.812 -0.539) 2.330 22.213 ( 0.171 -0.491 0.044) 0.522 22.575 ( 0.233 -0.185 -1.664) 1.690 22.669 ( -2.289 0.545 1.959) 3.062 22.746 ( -2.125 -0.365 2.081) 2.996 22.794 ( -1.404 -3.396 -2.169) 4.267 23.601 ( -1.284 3.649 1.010) 3.998 23.650 ( -0.333 4.648 -0.927) 4.751 23.710 ( 0.648 0.993 0.465) 1.274 23.749 ( 0.205 1.317 -1.007) 1.670 23.869 ( -1.501 1.243 0.336) 1.978 23.880 ( 1.659 1.871 -1.214) 2.779 24.153 ( -0.723 -1.422 1.779) 2.389 24.279 ( 0.552 -1.657 -2.730) 3.241 24.365 ( 0.442 2.135 1.054) 2.422 24.433 ( 0.092 0.973 -0.418) 1.063 24.935 ( 5.341 -6.641 -1.507) 8.655 24.996 ( 3.058 -7.110 0.797) 7.780 ======================= Grid point 92 (40/88) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.497 -0.817 2.231) 2.427 1.185 ( -0.848 1.208 0.908) 1.733 1.210 ( 1.863 1.893 -1.159) 2.898 1.286 ( 1.110 -2.765 -2.648) 3.986 1.490 ( -1.125 0.882 -0.527) 1.524 1.517 ( 0.622 1.839 -1.238) 2.302 1.610 ( 0.992 -2.397 1.913) 3.223 1.691 ( 0.319 -0.126 -1.087) 1.140 1.721 ( -1.905 -6.587 0.215) 6.861 1.802 ( -1.152 0.845 -2.777) 3.123 1.910 ( -3.113 1.504 2.744) 4.414 2.017 ( 3.232 6.275 -2.596) 7.521 2.068 ( -2.113 0.567 -1.719) 2.782 2.150 ( 5.187 3.437 -6.038) 8.670 2.189 ( 3.904 0.755 7.167) 8.196 2.331 ( -4.863 4.347 1.566) 6.708 2.589 ( -4.186 -4.936 9.322) 11.348 2.674 ( 2.298 -0.907 0.314) 2.490 2.838 ( 1.360 -1.166 -2.428) 3.018 2.880 ( 1.507 -1.823 2.359) 3.340 2.998 ( 0.939 0.777 1.006) 1.580 3.082 ( 4.521 -2.843 -0.285) 5.348 3.203 ( -2.475 0.745 2.814) 3.821 3.217 ( -2.505 1.122 -1.636) 3.195 3.343 ( -6.623 0.778 1.937) 6.944 3.548 ( 5.152 3.947 -0.778) 6.537 3.615 ( -2.691 1.423 0.407) 3.072 3.742 ( 1.157 0.879 1.204) 1.887 3.815 ( 5.417 6.739 -5.957) 10.499 3.913 ( -0.778 -3.475 -3.406) 4.927 3.970 ( 1.086 -1.471 -6.778) 7.020 4.085 ( -3.135 -6.018 -1.423) 6.934 4.163 ( 0.668 -2.641 -3.263) 4.251 4.248 ( 0.780 -2.617 -3.559) 4.486 4.276 ( 1.329 -0.099 -0.840) 1.575 4.339 ( 3.959 -3.416 3.359) 6.215 4.446 ( 1.735 1.932 -5.056) 5.684 4.553 ( -4.139 -7.228 -3.329) 8.969 4.636 ( -5.309 -5.353 10.139) 12.635 4.963 ( 0.113 -3.119 3.011) 4.337 5.045 ( 0.434 2.483 3.322) 4.170 5.193 ( 0.341 -4.021 1.331) 4.249 5.202 ( 0.115 -1.674 1.273) 2.106 5.299 ( 0.471 -0.037 1.639) 1.706 5.431 ( 4.965 6.837 -3.337) 9.084 5.505 ( 2.606 2.754 -4.880) 6.180 5.720 ( -11.858 3.225 10.080) 15.894 5.755 ( -2.523 1.049 0.453) 2.769 5.821 ( 0.129 0.637 0.511) 0.826 5.978 ( 4.351 0.842 -0.644) 4.479 6.112 ( -11.303 4.132 9.356) 15.244 6.382 ( 4.096 -2.585 -3.691) 6.090 6.498 ( 6.384 0.277 -6.028) 8.784 6.508 ( 2.771 8.920 -8.782) 12.821 6.772 ( 2.051 1.219 -1.506) 2.822 6.951 ( 4.445 5.725 -8.234) 10.969 7.109 ( 1.264 0.688 0.739) 1.618 7.162 ( -2.820 -3.371 10.944) 11.794 7.255 ( -1.379 0.748 1.108) 1.921 7.372 ( -0.795 -1.238 5.670) 5.858 7.455 ( -2.630 2.754 2.777) 4.713 7.669 ( -4.718 -9.465 6.039) 12.178 7.887 ( 4.465 1.874 -12.411) 13.323 8.115 ( 1.398 -9.362 -9.163) 13.174 8.189 ( -1.985 -9.710 6.557) 11.884 8.376 ( 0.470 -13.044 -2.784) 13.346 8.426 ( 1.354 -3.578 -3.781) 5.378 8.452 ( -2.121 -11.064 -0.428) 11.273 8.632 ( -1.715 -4.520 5.307) 7.178 8.697 ( 1.946 -2.609 4.181) 5.298 8.855 ( 0.533 -1.282 2.095) 2.513 9.056 ( -0.641 -2.439 -2.882) 3.829 9.209 ( 1.568 6.950 0.465) 7.139 9.248 ( -1.251 5.480 -0.958) 5.702 9.451 ( 1.061 2.209 0.511) 2.503 9.469 ( -0.995 1.756 -0.275) 2.037 10.451 ( 0.863 4.497 0.694) 4.631 10.481 ( -0.736 2.201 0.219) 2.331 10.553 ( -0.463 4.215 -0.309) 4.252 10.568 ( -0.442 -0.528 -0.576) 0.897 10.583 ( 0.096 1.961 0.193) 1.973 10.627 ( 3.873 7.932 -1.845) 9.018 10.750 ( -5.228 8.636 3.863) 10.809 10.856 ( 1.617 8.071 -1.206) 8.319 11.500 ( -0.520 9.104 2.037) 9.344 11.587 ( 0.578 13.452 -1.280) 13.525 11.642 ( -1.130 1.026 2.914) 3.289 11.798 ( 0.377 -0.297 -3.653) 3.684 12.223 ( 2.235 1.421 -0.755) 2.754 12.413 ( -0.158 -0.985 -10.500) 10.548 12.723 ( -4.697 -2.386 5.431) 7.567 12.806 ( 5.487 -2.972 4.933) 7.955 13.196 ( -2.867 -6.098 -1.261) 6.855 13.226 ( 1.962 -2.642 -0.371) 3.312 13.380 ( -0.160 0.603 5.220) 5.257 13.526 ( -1.535 -1.170 -0.309) 1.955 13.679 ( 1.429 -1.629 -3.048) 3.740 13.696 ( 1.848 -1.268 -3.664) 4.295 14.040 ( -3.340 -7.976 4.326) 9.669 14.192 ( 1.550 -5.850 -2.873) 6.699 15.747 ( -0.817 1.544 0.878) 1.955 15.784 ( 0.862 1.105 -0.651) 1.546 16.109 ( -0.293 -0.473 0.272) 0.619 16.123 ( 0.294 -1.004 -0.299) 1.088 20.613 ( 0.382 0.610 0.955) 1.196 20.677 ( -0.791 -0.884 1.298) 1.758 20.744 ( 0.515 1.773 -2.161) 2.842 20.824 ( 0.652 1.031 -2.145) 2.468 21.377 ( -1.361 -1.174 1.280) 2.207 21.411 ( 0.811 -1.579 0.279) 1.797 21.708 ( -0.255 0.689 0.189) 0.759 21.716 ( 0.142 1.108 -0.027) 1.117 22.070 ( 0.890 -1.450 0.640) 1.818 22.096 ( 0.537 -0.222 -0.420) 0.717 22.168 ( -0.018 0.804 -0.078) 0.808 22.198 ( -1.336 -0.299 -1.294) 1.884 22.595 ( 2.175 -0.260 0.608) 2.274 22.626 ( -2.567 0.563 -0.731) 2.728 22.730 ( -1.268 -0.643 1.539) 2.095 22.785 ( 1.659 -3.183 -0.808) 3.679 23.592 ( -0.476 4.178 1.091) 4.345 23.645 ( 0.648 5.387 -0.999) 5.517 23.714 ( -0.515 -0.323 0.567) 0.831 23.753 ( 0.862 1.131 -1.039) 1.761 23.851 ( -0.753 2.108 0.588) 2.314 23.896 ( 0.973 1.955 -1.374) 2.580 24.156 ( -0.486 -1.200 2.186) 2.541 24.267 ( 0.464 -1.099 -2.986) 3.215 24.381 ( 0.114 1.542 1.610) 2.232 24.428 ( 0.087 1.167 -0.986) 1.530 24.994 ( 1.150 -7.333 0.007) 7.422 25.013 ( -0.967 -7.235 -0.836) 7.347 ======================= Grid point 93 (41/88) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.943 0.946 -1.098) 1.729 1.186 ( -1.107 -3.169 -1.022) 3.508 1.228 ( -0.516 2.590 1.340) 2.961 1.274 ( 0.395 -0.001 -0.394) 0.559 1.431 ( -5.137 -0.325 0.572) 5.179 1.501 ( -1.235 2.987 -1.165) 3.436 1.614 ( -0.550 2.732 1.522) 3.176 1.655 ( -2.086 -4.594 -2.290) 5.541 1.773 ( 2.348 -4.484 0.771) 5.120 1.788 ( 2.989 2.162 -2.182) 4.286 1.864 ( -3.637 0.242 1.326) 3.878 1.973 ( -3.729 2.758 0.285) 4.647 2.058 ( 0.042 4.152 0.625) 4.199 2.188 ( 2.010 4.186 -4.766) 6.654 2.278 ( 1.543 0.009 -0.920) 1.796 2.291 ( 0.652 1.329 2.428) 2.844 2.560 ( -6.737 -0.012 10.993) 12.893 2.677 ( -1.844 -3.612 -3.834) 5.582 2.825 ( -0.332 -2.688 -5.052) 5.732 2.934 ( -1.056 1.980 3.693) 4.322 2.980 ( -3.197 -2.135 0.644) 3.898 3.036 ( -5.447 3.621 -1.995) 6.839 3.127 ( -5.036 1.514 0.512) 5.284 3.223 ( -5.363 -1.208 3.422) 6.475 3.265 ( 5.487 -3.350 3.821) 7.478 3.551 ( -4.512 5.745 2.292) 7.656 3.606 ( 0.644 1.950 -5.330) 5.712 3.781 ( 1.704 -2.076 2.905) 3.956 3.814 ( -0.147 3.780 -7.386) 8.298 3.870 ( -1.852 2.124 1.453) 3.171 3.944 ( 2.195 -0.789 -7.091) 7.465 4.017 ( -3.545 -9.663 -0.922) 10.334 4.135 ( -0.432 -3.899 -3.942) 5.561 4.236 ( -0.458 1.169 -0.630) 1.404 4.309 ( 3.319 -4.185 -4.474) 6.968 4.371 ( 0.246 -0.290 -4.280) 4.297 4.462 ( 0.835 -5.176 4.188) 6.711 4.539 ( 2.665 -2.844 -2.132) 4.442 4.614 ( -3.059 -4.070 7.848) 9.355 4.947 ( -5.402 3.235 7.419) 9.731 5.115 ( 5.759 -1.930 -3.582) 7.051 5.155 ( -3.100 -5.759 1.314) 6.671 5.213 ( -4.034 -3.263 1.280) 5.344 5.321 ( 2.132 -0.928 3.955) 4.588 5.521 ( 1.886 1.944 -1.982) 3.357 5.529 ( 6.008 2.890 -3.665) 7.608 5.624 ( -1.961 4.046 3.108) 5.465 5.722 ( -1.622 6.552 0.296) 6.756 5.821 ( -0.981 -2.536 1.730) 3.223 5.987 ( -8.031 6.689 6.387) 12.249 6.063 ( 4.150 4.016 0.448) 5.792 6.430 ( 3.299 -2.312 -2.085) 4.536 6.485 ( 1.318 7.167 -7.471) 10.436 6.583 ( 6.403 1.548 -3.422) 7.423 6.819 ( 3.823 -1.176 -0.858) 4.091 6.986 ( 5.684 3.539 -7.522) 10.070 7.142 ( 2.461 1.341 -0.653) 2.878 7.192 ( -2.081 -3.625 9.086) 10.001 7.238 ( 0.234 -0.402 -1.744) 1.805 7.402 ( -2.582 1.410 9.871) 10.300 7.435 ( -1.265 1.822 2.912) 3.661 7.619 ( -5.509 -9.199 5.685) 12.136 7.878 ( 4.826 2.703 -13.548) 14.633 8.068 ( 0.117 -8.700 -7.159) 11.267 8.202 ( -1.858 -10.095 6.319) 12.053 8.358 ( -0.215 -13.316 -2.430) 13.538 8.377 ( -1.467 -6.802 -2.947) 7.556 8.462 ( 0.224 -5.410 1.139) 5.533 8.641 ( -1.133 -7.279 4.455) 8.609 8.742 ( 0.978 -0.245 0.056) 1.010 8.878 ( -0.480 -5.396 4.047) 6.762 9.039 ( 1.318 -1.125 -3.072) 3.527 9.204 ( -1.637 6.608 0.570) 6.832 9.257 ( 1.942 6.407 -0.671) 6.729 9.451 ( 0.837 1.633 -0.765) 1.988 9.513 ( 4.029 1.895 0.650) 4.500 10.389 ( -5.556 5.579 0.312) 7.880 10.450 ( -3.465 3.865 0.088) 5.191 10.508 ( -5.267 6.162 -0.084) 8.107 10.537 ( -1.405 2.436 -0.585) 2.872 10.572 ( 0.344 -1.725 -0.244) 1.776 10.713 ( 0.176 3.353 1.857) 3.837 10.748 ( 5.875 10.366 -1.004) 11.957 10.891 ( 2.546 8.618 0.460) 8.998 11.504 ( -0.350 7.645 1.093) 7.731 11.588 ( -0.476 7.614 -1.384) 7.754 11.622 ( -3.277 1.492 3.431) 4.974 11.757 ( -1.454 5.769 -2.486) 6.448 12.252 ( 0.802 1.787 0.808) 2.119 12.345 ( 0.566 -1.543 -9.241) 9.386 12.655 ( -5.459 -0.963 2.296) 6.000 12.939 ( 5.056 -4.374 5.162) 8.446 13.156 ( -0.679 -5.482 -1.490) 5.721 13.282 ( 4.471 -2.417 -0.474) 5.105 13.422 ( 0.200 0.284 5.974) 5.984 13.497 ( -0.964 -1.219 -1.682) 2.290 13.668 ( -0.362 -2.113 -2.473) 3.273 13.710 ( 2.697 -0.735 -4.225) 5.067 14.001 ( -4.250 -8.269 3.850) 10.063 14.185 ( -0.401 -5.854 -2.057) 6.217 15.716 ( -2.873 1.551 0.525) 3.307 15.776 ( -1.290 1.004 -0.361) 1.674 16.131 ( 2.446 -0.689 0.075) 2.542 16.154 ( 2.903 -0.730 -0.115) 2.996 20.634 ( 0.993 0.780 1.239) 1.770 20.675 ( 0.130 -0.646 -0.165) 0.679 20.744 ( 0.532 1.716 -0.403) 1.841 20.818 ( 0.814 0.410 -2.986) 3.122 21.341 ( -3.722 -0.989 1.462) 4.119 21.417 ( -0.316 -1.753 0.263) 1.801 21.699 ( -0.939 0.577 0.302) 1.142 21.713 ( -0.506 0.975 -0.068) 1.101 22.074 ( -1.687 0.148 0.216) 1.707 22.109 ( 1.660 -0.016 -0.357) 1.698 22.146 ( -1.935 -0.735 -1.226) 2.406 22.173 ( -0.406 -0.480 0.579) 0.854 22.568 ( -2.199 0.750 -1.468) 2.749 22.663 ( 3.531 0.055 1.798) 3.963 22.723 ( -0.326 -1.408 0.720) 1.615 22.832 ( 3.811 -2.186 -0.839) 4.473 23.599 ( 0.477 4.301 0.893) 4.418 23.659 ( 1.728 4.961 -0.945) 5.337 23.704 ( -1.053 -0.219 0.496) 1.184 23.756 ( 0.123 1.859 -0.904) 2.071 23.852 ( 0.637 1.350 -0.128) 1.498 23.896 ( 0.041 1.514 -0.823) 1.724 24.166 ( -0.206 -1.411 2.368) 2.764 24.254 ( 0.339 -1.190 -2.878) 3.133 24.382 ( -1.004 0.087 0.478) 1.115 24.432 ( 0.932 2.295 -0.313) 2.496 24.931 ( -5.875 -7.510 -1.630) 9.673 24.996 ( -2.192 -6.312 0.873) 6.739 ======================= Grid point 94 (42/88) ======================= q-point: (-0.30 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -8.076 0.798 -2.550) 8.506 1.123 ( -5.493 -0.513 -0.318) 5.526 1.156 ( -6.171 4.789 1.059) 7.883 1.327 ( 2.827 -0.415 1.482) 3.219 1.374 ( 0.169 0.130 -0.515) 0.557 1.467 ( -1.427 3.227 -0.661) 3.590 1.583 ( -3.704 -0.768 -0.182) 3.787 1.618 ( -3.262 3.108 0.741) 4.566 1.747 ( -1.553 -1.361 0.397) 2.103 1.801 ( -3.889 5.781 -0.074) 6.968 1.859 ( 2.297 0.168 -0.110) 2.306 1.940 ( -0.395 -4.172 -0.977) 4.303 2.074 ( 0.861 0.996 3.556) 3.791 2.156 ( -1.774 0.987 -2.709) 3.385 2.287 ( 1.288 0.834 -4.525) 4.778 2.322 ( 2.205 0.366 -0.343) 2.262 2.497 ( -8.602 3.307 3.101) 9.724 2.534 ( -8.666 -2.281 1.196) 9.041 2.762 ( -1.841 -2.313 -3.033) 4.235 2.822 ( -3.700 9.207 -2.593) 10.256 2.977 ( -0.254 -2.285 -0.332) 2.323 3.025 ( -2.416 -0.787 6.054) 6.566 3.075 ( 0.306 -0.495 -1.116) 1.259 3.148 ( -3.786 -1.882 0.374) 4.245 3.420 ( 4.316 -2.649 4.582) 6.829 3.474 ( -4.091 0.867 0.441) 4.206 3.542 ( -1.313 7.674 -3.619) 8.586 3.747 ( -0.513 -0.482 -7.431) 7.465 3.806 ( 0.142 -1.336 -1.791) 2.239 3.858 ( -0.430 3.102 -2.395) 3.943 3.951 ( -3.310 -7.897 1.785) 8.746 3.965 ( 2.403 -3.579 0.351) 4.326 4.103 ( -0.013 -4.376 -3.798) 5.794 4.217 ( -1.028 -0.519 -0.995) 1.522 4.314 ( 0.702 -5.826 -3.933) 7.065 4.358 ( 0.930 0.181 -3.325) 3.457 4.483 ( -3.443 -1.467 8.515) 9.301 4.568 ( 3.709 -6.644 -3.315) 8.300 4.650 ( 0.501 -4.027 4.797) 6.283 4.893 ( -6.562 6.101 8.126) 12.096 5.092 ( -4.749 1.985 0.316) 5.157 5.110 ( -6.128 -9.693 5.356) 12.656 5.193 ( 3.637 -2.915 -6.523) 8.017 5.376 ( 0.071 -0.514 1.924) 1.992 5.490 ( -3.604 1.589 7.631) 8.587 5.643 ( 9.097 2.348 -9.223) 13.166 5.652 ( 0.144 3.880 1.611) 4.203 5.722 ( 4.106 5.819 -3.402) 7.893 5.814 ( -1.430 -2.959 3.195) 4.584 5.906 ( -4.662 6.813 3.226) 8.863 6.136 ( 3.848 5.999 -0.932) 7.187 6.432 ( 1.165 8.377 -8.218) 11.793 6.492 ( 1.966 -3.492 1.425) 4.253 6.666 ( 4.445 2.987 -1.317) 5.515 6.881 ( 1.905 -3.069 2.283) 4.273 7.043 ( 4.384 0.487 -2.411) 5.027 7.192 ( 2.540 -2.978 -2.053) 4.419 7.208 ( 5.380 1.181 -7.262) 9.114 7.259 ( 0.182 -1.166 6.348) 6.457 7.394 ( -2.985 3.570 3.844) 6.035 7.472 ( -0.088 -1.228 8.436) 8.526 7.556 ( -5.733 -8.907 5.637) 11.999 7.869 ( 4.746 3.717 -13.152) 14.468 8.028 ( 0.457 -8.442 -5.093) 9.870 8.199 ( -2.942 -10.728 3.873) 11.779 8.332 ( -0.492 -9.353 -0.375) 9.374 8.368 ( 1.258 -10.950 -0.942) 11.062 8.459 ( -1.717 -1.174 2.487) 3.242 8.652 ( -0.841 -10.209 3.416) 10.798 8.734 ( -0.588 0.715 -2.583) 2.744 8.891 ( -0.702 -6.900 2.397) 7.338 9.051 ( 1.199 -1.515 -1.569) 2.489 9.188 ( -0.608 6.517 1.286) 6.670 9.276 ( 0.420 6.899 -0.495) 6.929 9.490 ( 4.412 1.394 -1.220) 4.786 9.608 ( 5.895 1.961 0.733) 6.255 10.292 ( -5.226 5.378 -0.503) 7.516 10.379 ( -4.430 4.143 0.803) 6.119 10.416 ( -4.172 10.648 -0.547) 11.449 10.481 ( -4.324 1.501 -0.475) 4.602 10.573 ( -0.086 -0.602 -0.513) 0.796 10.710 ( -1.696 4.125 2.009) 4.891 10.852 ( 6.536 8.399 -3.107) 11.086 10.950 ( 2.711 8.101 2.364) 8.863 11.493 ( -3.157 2.292 -1.531) 4.191 11.521 ( -3.717 0.427 0.321) 3.755 11.582 ( -3.858 4.953 3.595) 7.235 11.757 ( 2.496 13.574 -0.426) 13.808 12.254 ( -1.256 1.368 0.312) 1.883 12.308 ( 1.551 -0.905 -6.329) 6.579 12.580 ( -3.159 -0.217 0.010) 3.166 13.055 ( 4.495 -6.238 2.239) 8.008 13.147 ( 0.410 -2.989 0.148) 3.020 13.371 ( 4.830 -2.034 0.685) 5.285 13.465 ( 1.125 -1.725 0.867) 2.235 13.470 ( -1.016 -0.825 1.336) 1.870 13.638 ( -1.076 -1.798 -1.989) 2.889 13.726 ( 2.362 -1.296 -4.237) 5.022 13.944 ( -4.961 -7.739 3.696) 9.907 14.145 ( -2.789 -5.580 -1.253) 6.363 15.663 ( -3.154 1.608 0.441) 3.568 15.743 ( -1.823 0.818 -0.444) 2.047 16.187 ( 3.447 -0.814 -0.018) 3.542 16.212 ( 3.414 -0.596 -0.053) 3.466 20.658 ( 0.916 0.592 0.203) 1.110 20.684 ( 1.045 0.184 0.158) 1.073 20.754 ( 0.469 1.505 0.330) 1.611 20.813 ( 1.078 -0.088 -3.016) 3.204 21.269 ( -5.443 -0.964 1.822) 5.820 21.405 ( -0.925 -2.397 -0.271) 2.584 21.678 ( -1.753 0.838 0.498) 2.006 21.699 ( -0.780 0.265 -0.255) 0.862 22.020 ( -4.075 0.836 0.765) 4.229 22.109 ( -0.158 0.232 -2.309) 2.326 22.144 ( 1.728 0.399 -0.393) 1.817 22.176 ( -0.281 -1.415 1.424) 2.027 22.531 ( -0.870 0.949 -0.725) 1.478 22.717 ( 0.273 -2.112 1.363) 2.529 22.749 ( 2.999 0.554 1.365) 3.341 22.895 ( 4.048 -1.230 -2.046) 4.699 23.620 ( 0.895 3.985 0.469) 4.112 23.684 ( 0.672 1.320 -0.626) 1.608 23.695 ( 1.033 2.957 0.303) 3.147 23.743 ( -0.722 2.533 -1.287) 2.932 23.867 ( 1.196 0.225 -0.843) 1.480 23.894 ( 0.201 0.811 0.177) 0.854 24.177 ( -0.536 -2.102 2.199) 3.089 24.233 ( -0.732 -1.700 -2.358) 2.998 24.359 ( -1.367 -0.486 -0.539) 1.548 24.449 ( 0.933 2.779 -0.083) 2.933 24.790 ( -7.910 -6.349 -1.452) 10.246 24.942 ( -4.145 -5.210 1.016) 6.734 ======================= Grid point 95 (43/88) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -14.987 3.543 0.148) 15.401 0.923 ( -15.344 8.178 6.722) 18.642 1.121 ( -0.195 1.616 -3.083) 3.486 1.289 ( -9.359 4.037 2.492) 10.493 1.386 ( -2.952 2.926 0.850) 4.243 1.479 ( 4.885 2.311 -3.865) 6.644 1.499 ( -3.569 -0.236 0.560) 3.620 1.537 ( -4.086 2.201 1.604) 4.911 1.731 ( 0.176 -4.179 -2.922) 5.102 1.760 ( -0.446 12.148 1.305) 12.226 1.884 ( 0.677 -7.589 -0.590) 7.642 1.908 ( -2.038 -2.292 -0.318) 3.083 2.069 ( -3.119 -1.018 1.507) 3.610 2.168 ( 3.829 -2.587 -1.552) 4.875 2.255 ( -3.205 2.812 -3.704) 5.648 2.323 ( 0.549 3.222 -1.168) 3.471 2.418 ( 2.010 -4.999 2.448) 5.918 2.452 ( -5.286 3.732 4.231) 7.731 2.728 ( -1.362 0.374 0.040) 1.413 2.792 ( 1.172 3.509 1.416) 3.961 2.954 ( -0.625 1.310 -4.549) 4.775 3.002 ( -3.594 0.761 4.058) 5.474 3.084 ( -0.140 -6.925 -0.927) 6.988 3.102 ( -0.909 -0.267 -1.618) 1.875 3.336 ( -4.587 3.655 -3.723) 6.947 3.459 ( -1.539 6.444 0.534) 6.647 3.631 ( 6.621 -1.375 0.379) 6.773 3.694 ( 1.290 -2.880 -5.677) 6.495 3.776 ( 2.022 -3.081 -9.110) 9.827 3.844 ( -0.617 5.328 -0.532) 5.390 3.887 ( -4.207 -6.112 0.059) 7.420 4.017 ( 0.195 -6.671 3.729) 7.645 4.088 ( 1.318 -2.176 -2.661) 3.681 4.184 ( -1.485 -1.879 -1.968) 3.100 4.294 ( -0.703 -7.200 -0.740) 7.272 4.331 ( -3.264 -0.417 1.776) 3.740 4.489 ( -1.884 2.103 7.451) 7.968 4.623 ( 5.526 -10.600 -5.630) 13.214 4.677 ( -1.115 -2.868 4.291) 5.281 4.831 ( -6.905 8.374 8.970) 14.080 4.995 ( -7.735 0.887 5.053) 9.281 5.050 ( -3.063 -7.422 0.701) 8.060 5.187 ( 0.398 -2.120 -4.120) 4.651 5.336 ( -4.925 2.027 1.711) 5.594 5.512 ( -0.210 2.312 5.589) 6.052 5.637 ( -2.198 3.204 2.024) 4.381 5.717 ( 6.906 -1.080 -10.601) 12.698 5.781 ( 1.433 6.617 2.931) 7.378 5.840 ( 3.090 -3.585 -3.714) 6.016 5.863 ( -1.066 6.943 2.334) 7.402 6.185 ( 3.217 5.241 -3.191) 6.928 6.397 ( 1.509 9.671 -7.395) 12.268 6.540 ( 1.580 -4.411 2.471) 5.297 6.720 ( 2.540 3.682 -0.892) 4.561 6.914 ( -1.347 -3.771 6.475) 7.613 7.086 ( -2.054 0.944 6.474) 6.857 7.200 ( 4.089 -4.714 -8.682) 10.692 7.293 ( 5.691 -0.545 -4.162) 7.071 7.329 ( 2.624 -0.339 5.081) 5.729 7.373 ( 2.394 3.306 -3.626) 5.460 7.495 ( -1.907 -11.156 -0.213) 11.320 7.536 ( -2.598 -0.883 12.644) 12.938 7.863 ( 4.427 4.171 -11.465) 12.979 8.010 ( 1.040 -9.469 -4.333) 10.466 8.156 ( -3.653 -8.520 2.032) 9.490 8.337 ( -0.545 -7.600 2.594) 8.049 8.386 ( 0.835 -11.980 -0.537) 12.021 8.451 ( -0.720 -0.150 2.839) 2.933 8.656 ( -0.961 -12.154 2.169) 12.383 8.697 ( -0.774 -0.308 -3.508) 3.606 8.887 ( -1.377 -4.414 1.892) 4.996 9.049 ( -0.068 -2.424 -1.552) 2.879 9.200 ( 0.468 5.947 1.907) 6.263 9.266 ( -0.967 7.110 -0.617) 7.202 9.587 ( 7.188 0.966 -1.283) 7.365 9.732 ( 7.250 2.380 0.661) 7.659 10.185 ( -6.069 1.719 -1.562) 6.499 10.310 ( -4.283 5.725 1.102) 7.235 10.363 ( -1.162 12.966 -1.239) 13.076 10.389 ( -4.758 4.181 -0.346) 6.344 10.565 ( -0.270 0.736 -0.309) 0.842 10.680 ( -2.742 4.084 1.151) 5.052 10.934 ( 5.521 7.231 -3.977) 9.929 11.018 ( 2.333 5.974 3.910) 7.511 11.365 ( -7.097 3.265 -2.029) 8.071 11.469 ( -5.367 0.516 3.695) 6.537 11.572 ( 0.271 5.544 2.131) 5.946 11.807 ( 3.045 12.108 -1.055) 12.529 12.219 ( -1.957 0.872 -1.008) 2.368 12.300 ( 1.849 0.260 -4.966) 5.305 12.558 ( 0.222 -0.292 1.223) 1.276 13.097 ( 2.766 -7.440 -8.116) 11.352 13.199 ( 1.387 -0.282 8.572) 8.688 13.410 ( -0.251 0.217 -2.079) 2.105 13.473 ( -0.552 -2.450 3.359) 4.194 13.526 ( 5.651 -3.838 -0.026) 6.831 13.606 ( -1.489 -1.575 -0.327) 2.192 13.735 ( 1.956 -2.266 -3.875) 4.897 13.881 ( -4.976 -5.855 4.051) 8.687 14.066 ( -5.282 -5.091 -0.842) 7.384 15.616 ( -2.411 1.715 0.673) 3.035 15.709 ( -1.311 0.622 -0.874) 1.694 16.245 ( 2.958 -0.847 -0.027) 3.077 16.268 ( 2.665 -0.681 -0.064) 2.751 20.674 ( 1.010 0.516 -0.216) 1.154 20.708 ( 1.115 0.952 0.681) 1.616 20.763 ( 0.385 1.253 -0.075) 1.313 20.818 ( 1.453 -0.351 -1.871) 2.394 21.178 ( -6.065 -0.885 2.248) 6.529 21.381 ( -1.027 -3.300 -1.505) 3.769 21.645 ( -2.116 1.147 0.501) 2.458 21.680 ( -0.923 -0.483 -0.811) 1.320 21.958 ( -3.613 1.110 2.082) 4.315 22.099 ( 0.520 0.753 -1.714) 1.943 22.162 ( 1.363 0.597 -2.590) 2.987 22.182 ( -0.195 -1.038 1.434) 1.781 22.528 ( 0.326 1.069 1.114) 1.578 22.729 ( -0.299 -2.420 2.782) 3.700 22.804 ( 2.105 1.042 0.161) 2.355 22.943 ( 3.396 -0.616 -3.267) 4.752 23.623 ( -0.570 2.992 0.064) 3.046 23.693 ( 0.346 1.374 -2.700) 3.049 23.725 ( 0.909 3.015 0.814) 3.253 23.730 ( 1.685 1.963 0.192) 2.595 23.879 ( 0.922 -0.130 -1.077) 1.424 23.904 ( 0.312 0.327 0.840) 0.954 24.169 ( -1.920 -2.972 1.162) 3.724 24.192 ( -2.441 -2.245 -1.004) 3.465 24.330 ( -1.210 0.057 -0.482) 1.303 24.459 ( 0.535 2.594 -1.010) 2.835 24.655 ( -6.019 -4.348 0.424) 7.437 24.875 ( -3.479 -3.961 -0.113) 5.273 ======================= Grid point 96 (44/88) ======================= q-point: (-0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -13.838 8.207 11.565) 19.814 0.715 ( -13.922 12.088 11.276) 21.612 1.029 ( -15.566 11.222 12.605) 22.959 1.136 ( -0.803 8.087 -4.870) 9.474 1.325 ( -1.763 3.568 -5.895) 7.113 1.436 ( -2.487 0.574 -0.350) 2.577 1.505 ( 0.019 -1.270 -1.855) 2.248 1.571 ( 5.510 -3.701 -3.924) 7.711 1.726 ( 1.903 -2.685 -2.614) 4.203 1.765 ( -1.177 10.724 0.643) 10.807 1.863 ( 0.715 -7.834 -0.443) 7.879 1.926 ( 1.918 -2.604 1.184) 3.444 2.033 ( -2.347 -0.959 2.698) 3.702 2.180 ( -3.107 -0.092 0.135) 3.111 2.191 ( 0.250 -2.562 -1.928) 3.217 2.366 ( 1.360 -0.703 2.553) 2.977 2.388 ( -1.382 6.176 1.064) 6.417 2.523 ( 5.827 -5.400 1.578) 8.100 2.723 ( -0.672 -1.443 2.748) 3.176 2.848 ( 0.579 0.032 4.569) 4.606 2.868 ( -4.709 1.487 -4.894) 6.953 2.966 ( -2.725 2.307 0.975) 3.701 3.056 ( -1.453 -8.703 -0.819) 8.862 3.063 ( -0.756 4.662 -2.910) 5.547 3.316 ( 5.485 3.010 -3.915) 7.381 3.438 ( -0.726 6.488 -1.232) 6.644 3.637 ( 1.893 1.635 -6.459) 6.926 3.742 ( -1.122 -2.513 -6.268) 6.845 3.784 ( -0.260 -1.422 0.067) 1.447 3.815 ( 0.088 -0.720 -5.611) 5.658 3.826 ( 3.995 -0.020 0.251) 4.003 4.023 ( -0.689 -8.291 0.657) 8.345 4.103 ( -1.012 -1.534 1.422) 2.323 4.133 ( -0.823 -1.925 -3.197) 3.821 4.279 ( -2.020 -8.724 3.751) 9.709 4.303 ( -0.080 -0.941 0.358) 1.010 4.518 ( -0.416 3.012 6.116) 6.830 4.662 ( -3.017 -1.692 3.324) 4.797 4.668 ( 0.497 -7.251 -1.202) 7.367 4.787 ( -4.143 5.635 8.018) 10.639 4.900 ( -5.303 0.034 3.027) 6.106 5.008 ( -1.046 -5.806 -2.126) 6.271 5.167 ( -1.132 0.424 0.563) 1.333 5.262 ( -4.523 2.750 3.583) 6.391 5.546 ( 0.900 3.496 2.719) 4.519 5.609 ( -2.288 -0.073 1.281) 2.623 5.736 ( 1.367 -7.353 -5.604) 9.346 5.805 ( -3.114 9.013 3.864) 10.289 5.839 ( 4.742 6.769 -4.899) 9.607 5.920 ( 4.754 1.103 -3.184) 5.827 6.203 ( 1.558 4.170 -3.554) 5.697 6.388 ( 3.389 8.918 -7.852) 12.356 6.580 ( 0.660 -4.807 2.758) 5.581 6.747 ( 1.272 3.823 -1.041) 4.161 6.934 ( -2.866 -3.477 9.603) 10.607 7.066 ( -5.924 1.895 10.036) 11.808 7.214 ( 3.559 -4.836 -7.230) 9.398 7.294 ( -1.056 1.020 -2.348) 2.769 7.387 ( 0.081 -0.265 3.412) 3.423 7.469 ( 6.582 -2.617 -7.141) 10.059 7.482 ( 2.319 -9.825 2.239) 10.340 7.577 ( 0.809 -1.783 4.805) 5.189 7.869 ( 4.319 2.594 -8.600) 9.967 7.988 ( -0.552 -10.353 -4.895) 11.465 8.117 ( -2.138 -3.797 3.499) 5.588 8.319 ( -3.460 -4.015 2.194) 5.736 8.406 ( 2.125 -14.174 -0.575) 14.344 8.472 ( 0.296 -1.736 2.601) 3.141 8.640 ( -1.518 -13.870 -1.319) 14.015 8.671 ( 0.482 -0.553 -2.060) 2.187 8.872 ( -2.204 -2.456 3.378) 4.722 9.036 ( 0.127 -3.160 -1.964) 3.723 9.221 ( 0.053 6.793 1.501) 6.957 9.241 ( -0.889 6.402 -0.208) 6.467 9.722 ( 8.860 0.526 -1.531) 9.006 9.866 ( 6.439 3.283 0.451) 7.242 10.059 ( -5.788 -0.875 -2.030) 6.195 10.208 ( -7.629 1.853 0.361) 7.859 10.339 ( -1.046 10.063 0.262) 10.121 10.349 ( 0.544 14.723 -1.938) 14.860 10.565 ( 0.319 2.108 0.211) 2.143 10.635 ( -2.428 3.393 0.043) 4.172 11.002 ( 5.389 5.174 -3.993) 8.471 11.075 ( -0.134 0.529 3.852) 3.890 11.247 ( -3.703 10.232 -0.674) 10.902 11.393 ( -6.003 3.515 4.283) 8.169 11.598 ( 0.629 2.768 2.256) 3.625 11.837 ( 1.631 10.298 -2.775) 10.789 12.181 ( -1.270 1.581 -0.873) 2.208 12.302 ( 2.464 0.009 -5.613) 6.130 12.593 ( 1.024 -0.661 4.179) 4.353 13.072 ( 1.988 -5.561 -10.221) 11.805 13.263 ( -2.169 0.055 7.818) 8.113 13.384 ( 0.765 -1.910 -3.845) 4.361 13.490 ( 0.405 -1.358 4.460) 4.680 13.584 ( -1.399 -1.540 1.944) 2.847 13.642 ( 6.310 -4.989 -0.350) 8.051 13.749 ( 1.968 -2.675 -1.486) 3.638 13.829 ( -3.608 -3.545 3.336) 6.059 13.948 ( -6.926 -4.427 -0.890) 8.268 15.589 ( -1.285 1.727 1.119) 2.426 15.684 ( -0.542 0.513 -1.477) 1.655 16.288 ( 1.738 -0.830 0.038) 1.926 16.304 ( 1.353 -0.851 -0.103) 1.602 20.690 ( 0.516 0.880 0.360) 1.082 20.732 ( 1.138 1.411 0.282) 1.835 20.767 ( 0.249 0.952 -0.316) 1.033 20.833 ( 1.010 -0.290 -0.831) 1.339 21.099 ( -4.301 -0.705 3.549) 5.621 21.349 ( -0.610 -3.930 -3.177) 5.091 21.612 ( -1.727 1.075 0.019) 2.034 21.658 ( -0.601 -0.935 -1.264) 1.683 21.924 ( -2.218 1.568 3.059) 4.091 22.102 ( 0.754 0.370 -0.949) 1.267 22.159 ( 0.742 0.910 -3.281) 3.485 22.187 ( 0.179 -0.915 0.034) 0.933 22.553 ( 0.625 1.174 3.019) 3.299 22.748 ( -0.573 -2.311 4.653) 5.227 22.822 ( 0.599 1.319 -1.858) 2.356 22.972 ( 2.694 -0.535 -3.823) 4.707 23.612 ( -0.637 2.465 0.124) 2.549 23.660 ( -0.918 3.599 -2.112) 4.272 23.760 ( 1.569 1.529 0.437) 2.234 23.765 ( 1.145 0.587 0.990) 1.623 23.890 ( 1.401 0.262 -1.110) 1.807 23.908 ( -0.602 0.210 0.719) 0.960 24.126 ( -2.908 -2.567 0.052) 3.879 24.145 ( -2.023 -2.970 0.181) 3.598 24.316 ( -0.272 0.732 0.613) 0.992 24.453 ( 0.217 1.824 -2.339) 2.974 24.592 ( -2.459 -2.482 2.837) 4.500 24.821 ( -1.708 -3.086 -1.957) 4.034 ======================= Grid point 97 (45/88) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.111 9.301 11.361) 14.684 0.931 ( -0.849 13.127 6.795) 14.806 1.071 ( -2.311 -3.267 2.612) 4.779 1.209 ( 2.034 1.661 -7.684) 8.121 1.347 ( 0.139 3.766 -0.701) 3.833 1.495 ( -0.379 2.085 2.900) 3.592 1.496 ( -0.799 4.329 -0.001) 4.402 1.573 ( 0.416 3.881 0.824) 3.990 1.666 ( -2.086 4.062 6.017) 7.553 1.789 ( -2.088 -3.964 -1.692) 4.789 1.840 ( 3.595 -5.019 -1.591) 6.375 1.963 ( 3.156 2.922 -3.037) 5.265 2.115 ( 0.045 -2.833 0.927) 2.982 2.123 ( 0.338 0.250 0.582) 0.718 2.235 ( 1.214 10.618 4.076) 11.438 2.363 ( 0.246 -1.315 0.349) 1.383 2.423 ( -4.246 0.100 1.349) 4.456 2.515 ( 1.466 -4.150 2.352) 4.991 2.584 ( -1.288 -5.946 2.402) 6.541 2.772 ( 2.044 -3.627 -9.445) 10.322 2.854 ( -2.898 2.879 0.116) 4.087 2.926 ( -0.974 -1.229 -1.379) 2.088 3.064 ( -0.143 8.831 -0.611) 8.853 3.158 ( 1.406 5.898 -2.367) 6.509 3.383 ( 4.915 -5.751 -3.268) 8.241 3.510 ( 2.227 -2.923 -4.228) 5.601 3.594 ( -3.632 -4.399 -3.095) 6.490 3.668 ( 4.939 -3.849 -8.704) 10.722 3.705 ( -2.602 3.434 3.528) 5.569 3.759 ( 1.910 -0.438 2.340) 3.052 3.861 ( -1.700 -6.706 4.419) 8.209 3.928 ( 0.542 -3.614 -1.233) 3.857 4.037 ( -4.373 -0.727 4.845) 6.567 4.120 ( 0.474 -2.455 0.349) 2.524 4.175 ( 2.538 2.089 -0.793) 3.381 4.273 ( 2.120 -1.933 -2.447) 3.771 4.469 ( -4.196 -9.097 4.186) 10.857 4.523 ( 2.969 -2.753 -1.557) 4.338 4.583 ( -2.805 -2.529 2.028) 4.286 4.728 ( 2.023 -7.394 -0.899) 7.718 4.917 ( -3.828 6.188 7.205) 10.240 5.123 ( 0.142 10.195 1.149) 10.261 5.226 ( -1.792 4.050 6.372) 7.759 5.358 ( -0.443 7.602 1.145) 7.700 5.480 ( 0.474 -4.518 -5.115) 6.841 5.569 ( -0.909 -3.187 -1.986) 3.864 5.633 ( 1.051 -0.956 0.724) 1.595 5.827 ( 1.456 -6.143 -5.475) 8.357 5.976 ( -1.604 9.956 2.268) 10.337 6.140 ( 4.769 8.230 -3.568) 10.159 6.372 ( -0.279 10.464 -0.107) 10.468 6.467 ( -1.141 -6.876 2.844) 7.528 6.546 ( 0.123 6.342 -2.717) 6.900 6.771 ( 3.466 -2.807 -8.270) 9.396 6.853 ( -1.618 -6.879 7.065) 9.992 7.035 ( -1.025 -6.296 -1.344) 6.519 7.142 ( -0.703 2.639 5.010) 5.707 7.265 ( -3.434 -5.424 3.162) 7.156 7.301 ( -2.809 0.975 2.495) 3.882 7.405 ( -1.999 2.240 4.592) 5.486 7.490 ( 1.250 -1.069 1.176) 2.022 7.668 ( 6.515 1.435 -6.055) 9.009 7.759 ( -1.026 -4.110 -0.821) 4.315 7.952 ( 2.527 2.406 -7.498) 8.270 7.981 ( 0.264 -12.171 2.820) 12.496 8.142 ( -2.769 -7.599 -1.778) 8.281 8.212 ( 2.007 -7.702 -1.227) 8.053 8.309 ( 1.681 -10.012 -5.564) 11.577 8.487 ( -3.422 0.891 6.953) 7.800 8.664 ( -0.187 -3.645 2.499) 4.423 8.795 ( -0.863 -0.560 0.551) 1.167 8.942 ( 1.374 -5.031 -2.821) 5.930 9.322 ( -1.197 4.289 -0.509) 4.482 9.352 ( 0.990 3.260 -0.598) 3.459 9.897 ( -0.812 2.352 -0.086) 2.490 9.931 ( 1.601 3.855 -1.213) 4.347 10.025 ( -0.851 -2.047 1.470) 2.660 10.071 ( 0.338 -1.797 -0.890) 2.034 10.573 ( -1.142 12.507 0.847) 12.587 10.612 ( 0.563 6.920 -1.032) 7.020 10.656 ( 1.494 3.817 -0.686) 4.156 10.669 ( -0.567 6.985 -0.763) 7.049 10.984 ( -1.373 -5.758 1.560) 6.121 11.053 ( 1.107 -5.702 -1.706) 6.054 11.512 ( -0.097 13.042 1.417) 13.119 11.549 ( 0.577 15.069 0.056) 15.080 11.718 ( -2.129 6.686 6.999) 9.911 12.070 ( 1.977 6.580 -8.269) 10.751 12.202 ( 0.814 5.326 1.806) 5.682 12.333 ( -0.555 5.326 -3.704) 6.511 12.591 ( -0.350 -4.095 4.775) 6.301 12.872 ( 1.383 -11.856 -7.781) 14.249 13.242 ( -6.048 2.952 1.824) 6.972 13.349 ( 4.309 -2.600 -3.003) 5.860 13.472 ( 1.362 -5.072 3.007) 6.052 13.493 ( -1.263 -6.516 1.203) 6.745 13.674 ( -0.225 -0.932 2.622) 2.792 13.692 ( 1.272 -3.467 2.607) 4.521 13.747 ( -2.854 -2.905 -0.316) 4.085 13.775 ( 1.826 -2.501 -0.655) 3.165 15.626 ( -0.102 2.190 0.830) 2.345 15.675 ( 0.135 -0.031 -1.192) 1.200 16.288 ( 0.041 -0.864 0.065) 0.867 16.292 ( 0.009 -1.084 -0.117) 1.090 20.724 ( -0.438 1.680 0.752) 1.893 20.772 ( -0.578 -0.192 0.551) 0.821 20.804 ( 1.284 2.874 -0.461) 3.182 20.844 ( 0.646 0.392 -0.445) 0.877 21.072 ( -0.778 -0.061 4.219) 4.291 21.216 ( -0.117 -5.839 -1.752) 6.098 21.593 ( -0.457 0.139 -1.588) 1.658 21.620 ( 0.381 -1.313 -1.775) 2.240 21.975 ( -0.190 3.054 3.265) 4.475 22.091 ( 0.328 -1.822 0.135) 1.856 22.163 ( -0.170 0.268 -1.770) 1.798 22.170 ( 0.241 0.185 -3.951) 3.963 22.621 ( 0.075 2.050 5.007) 5.411 22.722 ( -0.517 -2.638 5.339) 5.977 22.843 ( -0.281 2.446 -3.566) 4.333 22.950 ( 0.916 -2.352 -3.918) 4.660 23.677 ( 0.043 3.845 0.494) 3.877 23.723 ( 0.109 2.639 -1.949) 3.283 23.800 ( -0.301 3.185 1.438) 3.508 23.822 ( 0.625 2.830 0.224) 2.907 23.900 ( -1.134 0.260 0.172) 1.176 23.920 ( 0.910 0.498 -0.473) 1.140 24.022 ( -0.348 -4.695 0.580) 4.744 24.043 ( 0.101 -5.060 -0.236) 5.067 24.349 ( -0.058 1.808 1.781) 2.538 24.452 ( 0.662 -1.212 -2.281) 2.667 24.573 ( -0.301 0.778 2.560) 2.693 24.712 ( -0.147 -4.209 -2.919) 5.125 ======================= Grid point 98 (46/88) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 5.501 4.994 8.999) 11.670 1.009 ( 4.445 11.214 5.400) 13.216 1.077 ( 2.936 -3.293 -2.541) 5.091 1.272 ( 8.134 1.801 -3.896) 9.197 1.352 ( -1.419 2.251 3.628) 4.499 1.488 ( -0.365 10.093 1.783) 10.256 1.505 ( 0.887 0.866 -1.591) 2.017 1.584 ( 0.743 2.279 -0.814) 2.531 1.694 ( 0.418 4.972 3.480) 6.083 1.732 ( -0.033 -4.897 -1.366) 5.084 1.921 ( 4.377 -4.775 -1.204) 6.589 1.999 ( 2.356 2.315 -1.063) 3.470 2.106 ( -0.565 0.463 1.386) 1.567 2.172 ( 2.385 -1.335 -0.208) 2.741 2.261 ( -1.728 8.229 0.244) 8.412 2.354 ( -0.952 0.953 4.391) 4.593 2.399 ( 1.897 -1.688 0.488) 2.585 2.509 ( -3.147 -6.866 3.009) 8.130 2.602 ( 2.036 -1.636 -2.139) 3.376 2.768 ( 3.367 -2.238 -5.410) 6.753 2.840 ( 1.081 4.418 -0.374) 4.564 2.903 ( -0.452 -1.771 -0.944) 2.058 3.054 ( -0.076 6.090 -1.143) 6.197 3.166 ( 1.746 4.719 -3.032) 5.875 3.438 ( 0.135 -3.369 -3.488) 4.851 3.493 ( 0.213 -5.879 -4.216) 7.237 3.526 ( 0.236 -0.966 -0.082) 0.997 3.627 ( -2.380 1.077 1.214) 2.881 3.729 ( 3.617 2.563 -6.941) 8.236 3.789 ( -0.369 1.712 1.020) 2.026 3.855 ( -1.871 -8.141 3.032) 8.886 3.949 ( 3.077 -6.031 -0.650) 6.802 3.999 ( -4.109 -3.995 5.711) 8.091 4.142 ( 0.961 -3.814 1.467) 4.198 4.212 ( 1.677 1.346 0.239) 2.163 4.297 ( 3.806 -2.551 -6.972) 8.343 4.453 ( -1.715 -9.370 6.164) 11.346 4.523 ( -1.695 -2.603 0.300) 3.121 4.600 ( 3.625 -1.716 -0.918) 4.114 4.742 ( -0.396 -5.855 1.114) 5.974 4.937 ( 0.365 5.469 6.628) 8.601 5.157 ( 2.682 9.421 0.844) 9.832 5.232 ( -3.159 4.081 7.269) 8.915 5.362 ( -0.369 7.661 1.840) 7.887 5.446 ( 0.219 -1.158 -6.429) 6.536 5.561 ( 1.791 -4.706 -1.709) 5.318 5.662 ( 1.355 -1.453 1.098) 2.270 5.801 ( -0.121 -6.222 -4.107) 7.456 5.967 ( -0.566 9.900 0.522) 9.930 6.192 ( 3.438 6.346 -3.159) 7.879 6.367 ( 0.089 10.508 -0.445) 10.518 6.452 ( -2.903 -6.949 3.218) 8.189 6.530 ( -0.406 4.530 -1.769) 4.880 6.753 ( 1.705 0.550 -9.277) 9.448 6.870 ( -2.297 -6.846 7.405) 10.343 7.013 ( 0.092 -7.167 -2.550) 7.608 7.149 ( -3.309 7.661 4.765) 9.610 7.228 ( -1.991 -3.428 4.116) 5.714 7.286 ( -1.107 -2.262 1.532) 2.948 7.384 ( -2.657 4.498 1.576) 5.457 7.511 ( -0.653 -3.781 2.450) 4.552 7.655 ( -3.545 1.654 -0.844) 4.002 7.784 ( 4.670 -6.633 -4.754) 9.403 7.936 ( 1.725 2.532 -6.644) 7.317 8.013 ( -0.063 -13.646 3.594) 14.111 8.090 ( -0.601 -7.121 -1.631) 7.330 8.225 ( 1.162 -10.057 -3.081) 10.582 8.319 ( 2.846 -7.287 -3.511) 8.575 8.475 ( -2.745 1.305 5.570) 6.346 8.678 ( -1.256 -6.196 4.387) 7.695 8.786 ( 0.071 2.180 -0.907) 2.362 8.961 ( 2.746 -4.871 -2.584) 6.160 9.296 ( -1.379 4.845 0.002) 5.038 9.361 ( 0.638 2.468 -0.763) 2.661 9.770 ( -7.217 3.131 -0.168) 7.869 9.894 ( -8.371 -1.431 0.479) 8.505 10.072 ( 8.900 2.665 -0.972) 9.341 10.195 ( 7.731 -1.710 0.061) 7.918 10.550 ( -1.629 11.956 0.332) 12.071 10.616 ( 0.672 5.999 -0.515) 6.058 10.655 ( -0.195 11.802 -1.092) 11.854 10.699 ( 2.916 0.745 0.189) 3.016 10.970 ( -1.183 -4.789 0.954) 5.024 11.057 ( 0.315 -6.958 -1.016) 7.039 11.522 ( 0.327 12.492 0.780) 12.520 11.577 ( 2.409 16.068 0.121) 16.248 11.737 ( -1.584 6.048 7.497) 9.762 12.044 ( 1.768 9.339 -8.248) 12.585 12.241 ( 1.793 4.571 2.418) 5.474 12.296 ( -0.232 3.727 -4.029) 5.493 12.616 ( -0.708 -4.778 5.143) 7.056 12.833 ( 0.508 -10.109 -8.368) 13.134 13.146 ( -5.377 0.973 1.746) 5.736 13.382 ( -1.603 -5.891 0.561) 6.131 13.454 ( 0.611 -4.399 -0.911) 4.534 13.537 ( 1.558 -4.895 1.765) 5.432 13.612 ( -5.513 0.055 0.826) 5.575 13.686 ( -0.930 -2.694 0.686) 2.931 13.787 ( 3.257 -1.765 2.411) 4.420 13.853 ( 5.676 -4.449 -0.602) 7.237 15.640 ( 0.878 1.911 0.952) 2.309 15.678 ( 1.142 0.255 -1.255) 1.716 16.272 ( -1.681 -0.797 -0.009) 1.861 16.282 ( -1.199 -1.082 -0.073) 1.617 20.713 ( -1.251 1.574 0.383) 2.046 20.759 ( -1.408 -0.042 0.785) 1.612 20.806 ( -0.352 2.821 -0.207) 2.851 20.853 ( 0.840 0.572 -1.045) 1.458 21.119 ( 2.124 -0.914 4.372) 4.946 21.220 ( 2.088 -4.842 -2.136) 5.689 21.593 ( 1.522 0.225 -0.938) 1.802 21.628 ( 1.755 -1.316 -1.423) 2.615 22.002 ( 0.421 3.042 3.214) 4.445 22.095 ( 0.227 -0.555 -1.183) 1.326 22.144 ( -0.266 -0.833 -2.065) 2.242 22.151 ( 0.197 -0.587 -1.758) 1.864 22.655 ( -0.613 2.020 5.773) 6.147 22.741 ( -1.087 -1.393 3.297) 3.740 22.802 ( -1.458 1.911 -2.690) 3.608 22.922 ( -0.723 -3.044 -4.491) 5.473 23.682 ( -0.052 3.535 0.382) 3.556 23.713 ( 0.175 2.309 -1.543) 2.783 23.800 ( -0.332 4.033 0.573) 4.087 23.842 ( 0.819 2.722 0.916) 2.986 23.872 ( -1.545 0.770 -0.732) 1.875 23.923 ( -0.115 0.427 0.140) 0.464 24.055 ( 1.520 -4.430 0.304) 4.694 24.059 ( 3.370 -5.527 -0.068) 6.474 24.366 ( 0.429 1.921 2.106) 2.882 24.454 ( 1.564 0.413 -3.164) 3.553 24.597 ( 0.708 -1.812 3.963) 4.415 24.691 ( 0.482 -4.025 -3.556) 5.392 ======================= Grid point 99 (47/88) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 3.057 1.140 2.371) 4.033 1.109 ( 2.649 -3.266 -3.565) 5.513 1.175 ( 8.502 7.625 4.898) 12.426 1.324 ( -3.087 2.456 3.373) 5.190 1.408 ( 6.028 1.547 -1.917) 6.512 1.457 ( -2.573 5.290 -0.396) 5.896 1.525 ( 1.630 -2.641 -1.768) 3.572 1.626 ( 4.112 7.449 1.244) 8.599 1.700 ( 1.341 2.095 -0.940) 2.659 1.798 ( 5.521 0.571 -1.105) 5.660 1.952 ( 0.064 -2.653 -1.287) 2.949 2.014 ( -1.569 -0.642 0.546) 1.781 2.105 ( -1.874 1.274 2.805) 3.606 2.139 ( -3.183 4.485 1.029) 5.595 2.307 ( 7.166 4.621 -2.402) 8.859 2.378 ( 1.875 4.027 -0.025) 4.442 2.447 ( -0.734 -6.878 1.028) 6.993 2.515 ( 3.715 -2.722 2.654) 5.316 2.625 ( 3.363 -1.431 -3.247) 4.889 2.802 ( 2.920 -6.897 -2.824) 8.005 2.857 ( 1.549 6.547 -0.574) 6.752 2.910 ( 0.372 4.529 3.210) 5.563 3.055 ( 1.414 2.835 -1.567) 3.534 3.174 ( 1.046 2.383 -1.885) 3.213 3.356 ( -2.068 1.255 -4.257) 4.896 3.515 ( 1.239 -0.114 -0.516) 1.347 3.551 ( 3.151 -5.964 -0.580) 6.770 3.646 ( 2.276 -3.546 0.873) 4.303 3.730 ( 1.656 8.423 -3.628) 9.320 3.770 ( -0.891 -0.859 -0.606) 1.378 3.860 ( 1.299 -7.779 -0.226) 7.890 3.964 ( -3.409 -6.934 6.137) 9.867 4.011 ( 3.465 -7.519 -0.981) 8.337 4.168 ( 0.763 -3.717 0.431) 3.818 4.234 ( 0.856 -0.092 -0.900) 1.246 4.307 ( 2.804 -4.564 -6.453) 8.387 4.469 ( -1.606 -5.348 4.035) 6.889 4.504 ( -0.167 -2.034 0.115) 2.044 4.652 ( 0.453 -2.341 2.256) 3.283 4.749 ( 1.957 -5.890 -0.950) 6.279 5.008 ( 1.580 5.294 7.469) 9.291 5.211 ( -3.575 0.118 5.669) 6.703 5.217 ( 2.292 11.693 0.649) 11.933 5.366 ( -0.489 7.681 -0.074) 7.697 5.409 ( 0.166 0.429 -2.851) 2.888 5.596 ( 2.360 -4.560 -0.956) 5.223 5.692 ( 0.881 -2.930 1.371) 3.353 5.772 ( -0.266 -7.262 -2.768) 7.777 5.963 ( 0.262 10.688 -0.609) 10.709 6.214 ( 0.397 7.875 -0.523) 7.903 6.364 ( 0.614 7.934 -3.393) 8.651 6.412 ( -4.139 -5.186 3.829) 7.660 6.496 ( -2.167 0.795 -1.361) 2.680 6.717 ( 2.905 5.339 -11.290) 12.822 6.873 ( -3.716 -4.773 8.450) 10.392 7.001 ( 0.709 -6.334 -2.757) 6.945 7.095 ( -4.330 4.936 1.593) 6.757 7.254 ( -0.201 1.949 6.402) 6.695 7.269 ( -2.387 -2.591 1.760) 3.938 7.335 ( -2.498 2.976 -1.526) 4.174 7.506 ( -1.247 -4.304 1.905) 4.869 7.588 ( -3.604 2.332 1.594) 4.579 7.818 ( 2.367 -10.760 -3.538) 11.571 7.924 ( 1.013 -0.784 -3.858) 4.065 8.019 ( 1.329 -8.854 -2.806) 9.383 8.105 ( 0.730 -8.866 2.102) 9.141 8.222 ( 1.384 -11.102 -3.264) 11.655 8.347 ( 2.706 -7.005 -3.422) 8.253 8.474 ( -1.419 1.991 5.321) 5.856 8.674 ( -3.234 -7.419 5.912) 10.022 8.789 ( 1.517 4.604 -1.989) 5.240 8.994 ( 2.513 -4.986 -2.101) 5.966 9.277 ( -0.812 5.324 0.370) 5.398 9.366 ( 0.533 1.813 -0.532) 1.963 9.650 ( -6.030 3.281 0.056) 6.865 9.753 ( -7.546 -0.496 0.340) 7.570 10.219 ( 8.167 2.067 -0.975) 8.481 10.329 ( 6.999 -1.469 0.194) 7.154 10.532 ( -0.536 11.076 0.581) 11.104 10.627 ( 0.917 7.862 -0.931) 7.970 10.646 ( 0.178 11.233 -0.386) 11.241 10.752 ( 2.167 0.185 0.712) 2.288 10.955 ( -0.939 -3.613 0.154) 3.736 11.046 ( -1.121 -6.741 -0.252) 6.838 11.541 ( 1.611 11.935 0.111) 12.044 11.635 ( 4.068 14.768 -0.187) 15.319 11.764 ( -1.498 6.038 7.480) 9.729 12.016 ( 1.212 11.164 -7.283) 13.384 12.253 ( 0.067 6.454 -3.366) 7.279 12.318 ( 3.482 0.155 1.869) 3.955 12.639 ( -0.728 -5.446 4.709) 7.236 12.766 ( -1.428 -5.491 -8.075) 9.868 13.088 ( -3.084 -3.438 3.493) 5.791 13.308 ( -5.482 -8.961 -0.010) 10.505 13.478 ( 0.526 -3.778 1.052) 3.957 13.524 ( -4.156 0.802 -0.154) 4.235 13.570 ( 1.665 -2.357 -0.012) 2.886 13.680 ( 0.338 -2.400 -1.566) 2.886 13.860 ( 2.053 -2.971 3.774) 5.223 13.943 ( 4.962 -5.296 -1.624) 7.437 15.670 ( 1.759 1.684 0.797) 2.562 15.700 ( 2.154 0.567 -0.939) 2.417 16.230 ( -2.875 -0.632 -0.050) 2.944 16.247 ( -2.544 -1.102 -0.058) 2.773 20.684 ( -1.929 1.466 -0.120) 2.426 20.733 ( -2.258 -0.460 1.179) 2.589 20.800 ( 0.125 2.741 -0.721) 2.837 20.857 ( 0.640 0.378 -1.653) 1.812 21.197 ( 3.221 -1.268 3.510) 4.930 21.255 ( 3.109 -3.450 -1.472) 4.872 21.631 ( 2.836 0.355 -0.064) 2.859 21.660 ( 2.452 -0.759 -0.594) 2.635 22.027 ( 0.261 2.059 1.264) 2.430 22.083 ( 0.015 -0.095 -2.008) 2.011 22.134 ( 0.536 -0.560 -0.487) 0.916 22.156 ( 0.814 -1.018 0.386) 1.359 22.672 ( -1.691 1.891 3.206) 4.088 22.718 ( -1.590 1.803 -1.130) 2.657 22.772 ( -2.062 -1.125 2.924) 3.751 22.861 ( -2.358 -3.622 -4.562) 6.284 23.682 ( 0.022 2.474 0.132) 2.478 23.702 ( -0.744 1.880 -0.379) 2.057 23.803 ( 0.423 4.141 -0.375) 4.179 23.829 ( -2.076 2.791 0.009) 3.478 23.874 ( 1.909 3.103 -0.536) 3.683 23.921 ( -0.252 0.861 0.386) 0.976 24.080 ( 1.041 -4.164 0.664) 4.343 24.136 ( 4.565 -5.752 -0.525) 7.362 24.395 ( 1.072 2.985 2.120) 3.815 24.458 ( 1.260 2.032 -2.943) 3.792 24.660 ( 2.835 -5.448 4.385) 7.546 24.683 ( 1.763 -4.916 -3.777) 6.445 ======================= Grid point 100 (48/88) ======================= q-point: ( 0.30 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 2.958 -2.114 0.117) 3.638 1.118 ( 1.531 -3.413 -3.979) 5.461 1.277 ( -1.308 2.284 0.926) 2.790 1.335 ( -0.528 3.345 3.076) 4.575 1.370 ( -0.328 -0.436 2.167) 2.235 1.496 ( 3.431 6.510 -2.824) 7.882 1.543 ( 1.076 -1.942 -0.301) 2.241 1.702 ( 1.820 0.175 1.753) 2.533 1.764 ( 5.785 3.187 0.302) 6.612 1.830 ( -1.188 0.476 -2.935) 3.202 1.922 ( -3.635 -0.205 2.257) 4.283 1.961 ( -1.316 -0.910 -3.521) 3.867 2.096 ( 1.027 1.465 0.485) 1.854 2.139 ( 0.952 6.842 1.904) 7.165 2.385 ( 0.192 10.914 -2.034) 11.103 2.396 ( 1.900 -5.503 -1.960) 6.143 2.478 ( 2.986 3.802 4.371) 6.517 2.585 ( 3.937 -6.291 -4.579) 8.721 2.700 ( 6.810 -1.371 -1.312) 7.070 2.819 ( 0.219 -4.630 0.233) 4.641 2.909 ( 2.138 5.935 4.301) 7.636 2.960 ( 2.599 5.258 1.350) 6.018 3.097 ( 4.966 1.679 0.566) 5.273 3.187 ( 2.018 0.749 -1.384) 2.559 3.318 ( -1.538 0.382 1.161) 1.964 3.547 ( 2.268 -1.208 -2.134) 3.340 3.595 ( 2.473 -6.370 -1.594) 7.017 3.669 ( 1.283 -0.872 -2.215) 2.704 3.753 ( 0.676 0.133 1.310) 1.480 3.789 ( 5.252 3.120 -2.361) 6.550 3.905 ( 3.942 -7.327 0.093) 8.321 3.974 ( 0.971 -5.640 2.292) 6.165 4.060 ( 2.957 -6.087 -1.614) 6.957 4.162 ( -1.372 -3.265 -0.845) 3.641 4.223 ( -0.774 -0.465 -3.200) 3.325 4.321 ( 3.262 -7.385 -3.638) 8.855 4.442 ( -2.862 -0.719 1.285) 3.219 4.520 ( 0.304 -3.261 2.206) 3.949 4.634 ( -3.029 -1.067 1.213) 3.433 4.798 ( 3.640 -5.114 -2.187) 6.647 5.087 ( 0.578 4.652 8.250) 9.489 5.183 ( -2.542 2.916 4.141) 5.667 5.252 ( 0.664 6.559 0.502) 6.611 5.335 ( -1.549 4.681 -1.989) 5.317 5.419 ( 0.728 2.904 1.890) 3.541 5.607 ( -0.595 -3.409 -1.356) 3.717 5.704 ( -0.501 -4.719 0.482) 4.770 5.758 ( -0.692 -7.794 0.896) 7.876 5.971 ( 1.657 10.368 -2.022) 10.693 6.194 ( -3.839 12.560 3.196) 13.517 6.319 ( -4.349 -2.944 -0.014) 5.252 6.375 ( 0.889 4.253 -4.637) 6.354 6.450 ( -0.910 -0.826 -2.188) 2.510 6.701 ( 3.787 7.416 -10.715) 13.570 6.857 ( -4.814 -0.831 8.652) 9.936 7.003 ( 1.542 -4.389 -2.013) 5.068 7.041 ( -2.865 1.106 2.651) 4.057 7.215 ( -3.963 1.288 0.525) 4.200 7.282 ( -0.928 0.546 0.111) 1.082 7.311 ( 0.288 1.238 3.870) 4.073 7.503 ( -0.318 -4.733 1.283) 4.914 7.552 ( -2.438 2.911 2.961) 4.815 7.821 ( 0.660 -10.774 -3.092) 11.229 7.923 ( 0.358 -7.775 0.452) 7.796 8.029 ( 3.219 -4.994 -6.692) 8.949 8.117 ( -0.348 -8.453 0.209) 8.462 8.227 ( 1.010 -11.891 -2.288) 12.151 8.358 ( 1.831 -7.483 -5.222) 9.307 8.507 ( 0.436 1.707 6.261) 6.504 8.653 ( -4.013 -4.717 7.148) 9.457 8.810 ( 2.076 3.988 -1.653) 4.791 9.014 ( 1.175 -5.108 -1.878) 5.568 9.276 ( 0.370 5.596 0.464) 5.627 9.371 ( 0.150 1.641 -0.095) 1.651 9.557 ( -4.301 3.120 -0.150) 5.315 9.633 ( -5.966 0.277 0.174) 5.975 10.346 ( 6.557 1.684 -0.847) 6.822 10.446 ( 5.659 -1.726 0.370) 5.928 10.541 ( 0.831 10.258 1.089) 10.350 10.633 ( 1.058 9.489 -1.279) 9.633 10.660 ( 1.126 8.856 -0.016) 8.927 10.773 ( -0.676 0.782 1.069) 1.487 10.942 ( -0.198 -2.393 -0.704) 2.503 11.011 ( -2.748 -3.926 0.429) 4.811 11.582 ( 2.799 10.454 0.092) 10.822 11.718 ( 5.507 12.956 -0.956) 14.110 11.783 ( -2.148 6.592 6.812) 9.719 11.982 ( 0.159 11.739 -6.074) 13.219 12.236 ( 0.791 5.236 -3.168) 6.170 12.404 ( 4.548 -0.893 0.933) 4.728 12.640 ( -1.536 -6.111 -1.725) 6.533 12.692 ( -1.746 -2.398 -0.784) 3.069 13.079 ( -1.644 -6.334 5.078) 8.283 13.208 ( -5.018 -8.929 -0.599) 10.260 13.448 ( -3.239 1.660 0.589) 3.686 13.494 ( -0.704 -3.323 1.467) 3.700 13.602 ( 1.931 -2.393 -0.544) 3.122 13.674 ( 1.170 -1.732 -3.566) 4.134 13.905 ( -0.248 -4.169 4.078) 5.837 14.004 ( 3.641 -6.262 -2.834) 7.778 15.713 ( 2.458 1.634 0.538) 3.001 15.740 ( 2.748 0.784 -0.480) 2.898 16.172 ( -3.390 -0.552 -0.049) 3.435 16.193 ( -3.375 -1.099 -0.030) 3.550 20.649 ( -1.725 1.257 -0.069) 2.136 20.699 ( -2.438 -0.844 1.329) 2.902 20.799 ( 0.593 2.627 -1.654) 3.161 20.854 ( 0.522 0.398 -1.949) 2.056 21.277 ( 3.133 -1.455 2.596) 4.321 21.303 ( 2.773 -2.432 -0.429) 3.714 21.682 ( 2.483 0.575 0.334) 2.571 21.699 ( 2.047 0.023 -0.150) 2.053 22.030 ( -0.023 0.535 -0.277) 0.603 22.073 ( 0.068 -0.715 -0.922) 1.168 22.158 ( 1.739 0.719 0.418) 1.928 22.180 ( 1.295 -0.743 0.634) 1.622 22.627 ( -2.227 1.861 -2.861) 4.075 22.704 ( -1.785 1.316 3.414) 4.071 22.749 ( -2.516 -2.171 1.039) 3.482 22.786 ( -2.749 -2.984 -1.877) 4.471 23.684 ( -0.378 1.672 0.200) 1.725 23.690 ( -0.113 2.220 0.714) 2.335 23.784 ( -1.930 2.080 -0.120) 2.840 23.807 ( -0.398 3.103 -1.213) 3.355 23.906 ( 1.641 3.638 -0.685) 4.050 23.927 ( 1.219 4.290 0.075) 4.461 24.099 ( 0.324 -3.518 1.227) 3.740 24.199 ( 2.902 -5.115 -1.323) 6.027 24.425 ( 0.990 4.711 0.359) 4.828 24.465 ( 0.912 2.795 -0.204) 2.947 24.706 ( 3.615 -7.441 -3.126) 8.844 24.749 ( 3.590 -8.429 3.107) 9.674 ======================= Grid point 101 (49/88) ======================= q-point: ( 0.40 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.099 -2.933 -0.295) 2.950 1.140 ( 3.236 -3.621 -2.477) 5.451 1.256 ( -1.198 1.123 0.657) 1.768 1.270 ( -3.821 -0.223 1.210) 4.014 1.465 ( 4.906 1.360 2.036) 5.483 1.527 ( 1.612 1.183 -0.564) 2.078 1.555 ( 0.870 2.454 -0.753) 2.710 1.706 ( -5.006 -0.393 1.064) 5.133 1.729 ( -1.980 -2.251 -0.189) 3.003 1.851 ( -3.661 -3.045 -0.744) 4.820 1.900 ( 3.341 0.638 -0.137) 3.404 1.941 ( 1.848 -0.269 -0.871) 2.061 2.136 ( 2.003 1.861 2.114) 3.456 2.189 ( 3.751 7.368 -0.053) 8.268 2.346 ( -2.106 12.163 -2.238) 12.545 2.418 ( 1.992 -4.352 -0.472) 4.809 2.531 ( -1.210 7.804 3.897) 8.807 2.615 ( 3.253 -3.272 -3.218) 5.626 2.819 ( 3.439 0.161 2.378) 4.184 2.832 ( 2.660 -0.952 -0.330) 2.845 2.952 ( 0.864 1.815 2.205) 2.983 3.014 ( 2.047 2.793 0.831) 3.561 3.205 ( 2.368 -0.308 1.723) 2.945 3.231 ( 3.064 1.244 0.293) 3.320 3.328 ( 2.124 -3.073 5.000) 6.241 3.513 ( -4.706 -3.672 -1.020) 6.055 3.626 ( 3.942 -8.663 -6.376) 11.456 3.688 ( 2.989 0.740 -3.588) 4.729 3.788 ( 3.331 -1.482 -1.785) 4.059 3.881 ( 3.185 3.736 0.827) 4.978 3.988 ( 4.765 -5.671 -0.119) 7.408 4.005 ( 0.096 -1.705 0.697) 1.844 4.088 ( 1.995 -5.020 -5.150) 7.464 4.113 ( -0.431 -5.360 -4.746) 7.172 4.190 ( 0.020 -0.292 1.121) 1.159 4.378 ( 4.969 -7.063 -2.026) 8.871 4.393 ( -4.271 1.542 2.843) 5.357 4.515 ( -3.688 -5.508 2.183) 6.979 4.599 ( 0.657 4.541 -2.239) 5.105 4.830 ( 2.376 -4.568 -3.705) 6.343 5.129 ( -2.127 4.611 7.351) 8.934 5.185 ( -1.770 2.957 5.377) 6.387 5.240 ( -1.498 3.802 -0.589) 4.129 5.311 ( -0.640 2.943 2.341) 3.814 5.457 ( 2.038 1.708 1.824) 3.224 5.564 ( -2.005 -1.352 -2.170) 3.248 5.688 ( -1.372 -5.943 -0.295) 6.106 5.739 ( -3.306 -6.954 3.374) 8.406 5.988 ( 1.916 7.409 -2.703) 8.116 6.131 ( -3.541 16.262 0.089) 16.643 6.232 ( -6.283 -2.974 3.615) 7.835 6.386 ( 5.060 5.519 -7.807) 10.817 6.437 ( 0.947 -0.517 -1.793) 2.092 6.691 ( 2.476 6.919 -8.289) 11.077 6.834 ( -3.335 1.945 6.505) 7.564 7.024 ( 0.756 -6.096 0.633) 6.175 7.034 ( -0.849 1.413 4.817) 5.091 7.155 ( -1.481 3.041 -2.584) 4.256 7.264 ( -0.905 -1.897 0.049) 2.103 7.350 ( 0.439 1.612 3.938) 4.278 7.505 ( -0.965 -4.062 1.851) 4.567 7.539 ( -1.674 3.638 3.683) 5.441 7.805 ( 0.424 -10.954 -3.561) 11.526 7.940 ( -0.103 -11.292 3.259) 11.754 8.029 ( 3.006 -2.946 -9.954) 10.807 8.105 ( -0.523 -10.727 -0.231) 10.742 8.220 ( 0.228 -10.652 -2.584) 10.963 8.341 ( 1.188 -7.271 -6.855) 10.063 8.570 ( 1.163 0.453 6.539) 6.657 8.638 ( -3.607 -1.587 8.326) 9.212 8.836 ( 1.604 2.579 -0.849) 3.154 9.010 ( 0.123 -4.581 -2.270) 5.114 9.295 ( 1.306 5.245 0.502) 5.428 9.366 ( -0.913 2.395 0.286) 2.579 9.500 ( -1.587 2.414 -0.517) 2.935 9.545 ( -3.753 0.739 -0.129) 3.827 10.440 ( 4.441 1.286 -0.527) 4.654 10.519 ( 1.625 -2.393 0.067) 2.893 10.578 ( 2.490 9.586 1.474) 10.013 10.656 ( 2.343 6.576 -0.900) 7.039 10.677 ( 0.605 8.591 -0.151) 8.613 10.746 ( -2.613 2.693 0.748) 3.826 10.934 ( -0.902 -1.634 -0.018) 1.866 10.963 ( -2.005 0.514 -0.015) 2.070 11.637 ( 2.821 9.076 0.725) 9.532 11.776 ( -3.186 7.603 5.313) 9.807 11.815 ( 5.666 10.875 -1.500) 12.354 11.932 ( -1.283 12.115 -5.249) 13.266 12.240 ( 1.776 3.984 -2.198) 4.884 12.458 ( 1.438 -0.376 -5.098) 5.311 12.599 ( 0.749 -6.686 -0.984) 6.799 12.686 ( -1.166 -4.462 3.831) 5.996 13.084 ( -2.393 -7.423 4.507) 9.008 13.138 ( -1.875 -6.419 0.612) 6.715 13.409 ( -1.773 2.416 1.420) 3.316 13.488 ( -1.182 -3.433 1.651) 3.988 13.627 ( 1.239 -2.439 -0.818) 2.856 13.675 ( 2.228 -1.150 -4.616) 5.253 13.909 ( -2.435 -4.920 4.069) 6.833 14.036 ( 2.476 -7.300 -3.565) 8.492 15.761 ( 2.210 1.715 0.563) 2.854 15.784 ( 2.266 0.988 -0.343) 2.495 16.116 ( -2.435 -0.679 -0.032) 2.528 16.133 ( -3.016 -1.092 -0.021) 3.208 20.627 ( -0.805 1.096 0.571) 1.475 20.671 ( -1.652 -0.865 1.681) 2.510 20.794 ( 0.533 2.386 -2.622) 3.585 20.848 ( 0.435 0.358 -2.264) 2.333 21.339 ( 1.483 -1.433 2.023) 2.889 21.344 ( 1.935 -1.829 0.318) 2.682 21.717 ( 1.041 0.760 0.282) 1.320 21.727 ( 1.107 0.588 -0.129) 1.260 22.032 ( 0.322 -0.110 0.474) 0.584 22.074 ( 0.386 -1.060 0.059) 1.130 22.185 ( 1.118 0.895 -0.981) 1.736 22.203 ( 0.792 -0.423 -0.382) 0.976 22.584 ( -0.397 1.285 -1.271) 1.850 22.682 ( -2.388 0.006 1.147) 2.649 22.709 ( -1.150 -2.799 -0.739) 3.115 22.742 ( -2.461 -1.275 1.261) 3.045 23.679 ( -0.474 3.015 1.143) 3.259 23.701 ( 0.592 1.015 0.536) 1.291 23.753 ( -1.285 2.327 -0.155) 2.663 23.785 ( -0.808 1.377 -1.206) 2.001 23.919 ( 0.326 4.066 0.265) 4.087 23.960 ( 2.219 6.315 -1.461) 6.851 24.110 ( -0.203 -2.785 1.814) 3.329 24.223 ( 1.355 -4.003 -2.057) 4.700 24.440 ( 0.849 5.356 -0.158) 5.425 24.477 ( -0.087 3.886 0.597) 3.932 24.761 ( 3.839 -9.938 -1.420) 10.748 24.816 ( 1.789 -10.331 1.230) 10.557 ======================= Grid point 102 (50/88) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.330 -2.076 0.844) 2.265 1.167 ( 0.895 -3.184 -1.172) 3.509 1.226 ( -1.189 -0.390 0.733) 1.450 1.254 ( 0.800 -0.592 -0.872) 1.323 1.529 ( -0.861 2.547 0.843) 2.818 1.564 ( 2.348 0.197 0.888) 2.518 1.573 ( 1.227 1.564 0.654) 2.093 1.627 ( -1.551 -1.347 0.168) 2.062 1.696 ( -2.102 -0.411 0.289) 2.161 1.802 ( -0.368 -2.130 -1.921) 2.892 1.886 ( -2.148 -0.778 0.759) 2.407 1.994 ( 2.226 -4.441 -2.382) 5.509 2.189 ( 0.635 3.345 4.578) 5.705 2.259 ( 3.863 5.269 -1.388) 6.680 2.294 ( -2.273 11.007 -0.179) 11.240 2.442 ( -0.151 3.341 -1.130) 3.530 2.525 ( -0.697 5.285 4.056) 6.698 2.652 ( 2.145 -1.648 -1.233) 2.973 2.848 ( -0.747 1.116 2.570) 2.900 2.873 ( 0.649 1.729 1.628) 2.462 3.010 ( -2.815 -2.406 1.096) 3.862 3.018 ( 4.451 -0.621 0.422) 4.514 3.234 ( -2.238 3.332 4.595) 6.101 3.246 ( 0.007 -0.192 1.669) 1.680 3.377 ( -8.386 -3.076 -2.382) 9.244 3.440 ( 4.871 -4.301 1.030) 6.580 3.653 ( 3.751 -10.830 -5.120) 12.553 3.706 ( 2.592 -0.272 -6.823) 7.303 3.820 ( 1.145 -7.176 -1.979) 7.531 3.867 ( -4.817 5.743 2.623) 7.941 3.937 ( -3.377 -3.447 -4.727) 6.755 4.030 ( -1.036 -1.962 -0.745) 2.340 4.101 ( 1.949 -6.089 -3.824) 7.450 4.135 ( 5.169 0.487 -2.911) 5.953 4.252 ( 2.696 -3.557 4.290) 6.191 4.340 ( -2.425 2.276 2.996) 4.476 4.414 ( -1.780 -0.751 -4.336) 4.747 4.471 ( 1.430 -4.706 0.920) 5.003 4.601 ( -0.323 4.046 -0.659) 4.112 4.845 ( 3.338 -7.079 -6.146) 9.951 5.133 ( -2.465 5.246 6.288) 8.551 5.156 ( -4.058 2.554 4.806) 6.789 5.248 ( 0.735 3.971 2.429) 4.713 5.320 ( -1.309 1.412 3.929) 4.376 5.507 ( 1.555 -0.788 1.932) 2.602 5.531 ( -0.176 -1.075 -1.393) 1.769 5.650 ( -1.789 -2.982 -0.308) 3.491 5.709 ( -1.643 -6.067 1.751) 6.525 5.997 ( 0.470 8.978 -1.678) 9.145 6.101 ( 2.986 8.548 -5.624) 10.659 6.155 ( -5.667 3.358 5.709) 8.718 6.415 ( 0.790 7.297 -0.468) 7.354 6.473 ( 6.725 -2.892 -7.073) 10.179 6.676 ( 1.852 6.958 -6.436) 9.658 6.831 ( -1.809 1.784 5.132) 5.726 7.043 ( -1.032 -7.354 6.254) 9.709 7.059 ( 1.165 4.579 -0.528) 4.754 7.132 ( 0.298 1.441 -0.454) 1.540 7.252 ( -0.083 -1.459 -0.723) 1.630 7.376 ( 0.091 -1.210 1.645) 2.044 7.491 ( -2.541 -1.919 3.283) 4.573 7.540 ( -1.775 5.010 4.861) 7.203 7.791 ( 1.028 -12.230 -3.970) 12.899 7.962 ( -0.655 -11.410 4.789) 12.392 7.992 ( 1.465 -2.293 -10.852) 11.188 8.102 ( 0.678 -12.890 -1.411) 12.984 8.204 ( 0.294 -9.097 -2.842) 9.535 8.312 ( 1.408 -6.703 -7.029) 9.815 8.612 ( -2.831 0.564 7.718) 8.240 8.660 ( 0.435 -1.556 6.794) 6.983 8.846 ( -0.375 1.509 -0.094) 1.558 8.995 ( 0.616 -3.676 -3.055) 4.820 9.326 ( 1.596 4.501 0.613) 4.815 9.344 ( -1.531 3.662 0.312) 3.981 9.492 ( 0.109 1.437 -0.336) 1.480 9.500 ( -0.087 1.018 -0.607) 1.189 10.494 ( 1.284 0.755 0.077) 1.492 10.515 ( -1.027 -0.499 -0.575) 1.279 10.621 ( -0.366 6.469 1.422) 6.634 10.669 ( -1.125 6.828 0.385) 6.931 10.682 ( -0.042 6.389 0.089) 6.390 10.729 ( 1.804 3.638 -0.995) 4.180 10.903 ( -1.790 2.398 1.395) 3.301 10.959 ( 1.205 0.092 -0.959) 1.543 11.686 ( 1.355 7.915 1.749) 8.218 11.740 ( -4.462 8.080 4.187) 10.136 11.839 ( -2.591 8.340 -4.207) 9.694 11.923 ( 5.339 14.710 -2.732) 15.886 12.267 ( 2.295 3.030 -0.758) 3.876 12.396 ( -1.706 0.591 -7.830) 8.036 12.628 ( -0.469 -7.745 2.497) 8.151 12.709 ( 2.304 -7.337 1.370) 7.811 13.062 ( -2.165 -5.174 3.642) 6.687 13.149 ( 1.202 -5.096 1.782) 5.531 13.406 ( -0.390 1.731 3.052) 3.531 13.476 ( -1.071 -2.817 0.872) 3.137 13.633 ( 0.295 -2.327 -1.269) 2.667 13.685 ( 2.546 -1.402 -5.033) 5.812 13.882 ( -3.580 -4.936 4.097) 7.346 14.046 ( 1.457 -8.007 -3.465) 8.845 15.784 ( -0.503 1.940 0.623) 2.098 15.808 ( 0.513 0.984 -0.339) 1.160 16.095 ( -0.205 -0.784 0.050) 0.812 16.099 ( 0.234 -1.154 -0.103) 1.182 20.630 ( 0.333 1.043 1.335) 1.727 20.664 ( -0.552 -0.518 1.747) 1.904 20.783 ( 0.410 2.052 -2.721) 3.432 20.837 ( 0.399 0.016 -2.998) 3.025 21.353 ( -0.956 -0.945 1.445) 1.974 21.374 ( 0.420 -1.835 0.999) 2.131 21.725 ( -0.256 0.905 0.207) 0.963 21.737 ( 0.150 0.696 -0.211) 0.743 22.050 ( 0.897 -0.271 1.627) 1.877 22.087 ( 0.764 -0.920 0.646) 1.359 22.176 ( -0.980 0.199 -2.062) 2.292 22.193 ( -0.863 -0.291 -1.925) 2.129 22.602 ( 2.117 1.096 1.191) 2.665 22.642 ( -2.182 1.070 -0.559) 2.494 22.709 ( -1.820 -1.584 0.374) 2.441 22.714 ( 2.145 -3.368 0.199) 3.998 23.681 ( -0.362 3.492 1.362) 3.766 23.712 ( -0.130 0.476 0.667) 0.830 23.740 ( 0.178 2.869 -0.302) 2.891 23.772 ( 0.467 0.682 -1.046) 1.333 23.923 ( -0.227 4.839 0.480) 4.868 23.975 ( 0.767 6.158 -1.865) 6.480 24.118 ( -0.533 -2.489 2.227) 3.382 24.223 ( 0.553 -3.384 -2.503) 4.245 24.447 ( -1.036 5.417 0.940) 5.595 24.477 ( 0.848 4.078 -0.536) 4.200 24.802 ( -0.047 -10.801 0.423) 10.809 24.827 ( 0.030 -10.835 -0.579) 10.850 ======================= Grid point 103 (51/88) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -2.075 -2.705 -0.373) 3.430 1.147 ( -1.100 -2.095 -2.244) 3.261 1.245 ( 1.431 -0.190 0.284) 1.471 1.281 ( 2.764 -0.258 1.254) 3.046 1.472 ( -6.014 3.948 1.818) 7.420 1.560 ( -0.703 0.893 -0.408) 1.207 1.588 ( 0.038 1.117 0.615) 1.276 1.656 ( 0.384 -0.480 -0.755) 0.973 1.699 ( 2.696 -1.109 0.928) 3.059 1.811 ( 2.158 -1.478 -0.309) 2.634 1.871 ( 1.472 0.840 -1.601) 2.332 1.975 ( -3.009 -2.780 -0.232) 4.103 2.191 ( -3.337 8.382 0.794) 9.057 2.246 ( -4.774 0.071 3.218) 5.757 2.301 ( 3.061 2.840 -3.471) 5.430 2.410 ( -1.377 11.190 -1.379) 11.359 2.559 ( 0.292 1.101 2.543) 2.787 2.647 ( -2.328 -0.943 -0.943) 2.683 2.810 ( -3.320 2.705 -1.701) 4.608 2.904 ( -1.046 -3.073 1.603) 3.620 2.988 ( 0.862 0.226 5.392) 5.465 3.078 ( -1.040 -1.301 4.383) 4.689 3.193 ( -8.448 2.747 -2.471) 9.220 3.223 ( -1.342 3.450 0.565) 3.744 3.237 ( -1.111 0.427 1.166) 1.666 3.501 ( 1.398 -4.001 -0.003) 4.238 3.667 ( 0.696 -14.829 -4.249) 15.441 3.676 ( -0.553 -4.543 -5.784) 7.375 3.772 ( -3.813 0.271 -1.230) 4.016 3.826 ( -0.648 -5.088 0.923) 5.212 3.883 ( -1.270 -0.163 -0.646) 1.435 3.980 ( -2.852 2.211 -0.199) 3.614 4.076 ( -1.814 -5.987 -3.065) 6.966 4.181 ( 2.281 -1.470 -4.033) 4.861 4.237 ( -4.645 -2.853 2.925) 6.186 4.359 ( 1.330 2.386 -5.152) 5.831 4.417 ( 4.190 -0.643 4.289) 6.030 4.500 ( 0.570 -2.326 -1.587) 2.873 4.575 ( -2.076 1.283 1.984) 3.145 4.843 ( 0.539 -10.546 -4.945) 11.661 5.129 ( -3.681 5.496 6.774) 9.468 5.156 ( 1.143 4.119 2.848) 5.137 5.249 ( -2.629 4.531 2.106) 5.646 5.343 ( 1.628 1.678 2.870) 3.702 5.503 ( -2.689 -2.432 4.230) 5.571 5.571 ( 5.141 -0.120 -3.013) 5.960 5.637 ( 0.604 -2.059 -1.388) 2.555 5.700 ( -1.276 -5.893 2.358) 6.475 5.980 ( 0.951 12.289 -5.042) 13.317 6.092 ( -4.424 5.756 4.783) 8.694 6.179 ( 6.551 3.997 -1.818) 7.886 6.417 ( -0.311 4.765 0.566) 4.808 6.554 ( 7.602 -3.708 -7.287) 11.163 6.664 ( 2.110 8.527 -7.376) 11.471 6.837 ( -1.987 -0.519 5.988) 6.330 7.060 ( -0.500 4.300 0.921) 4.426 7.079 ( 1.251 -4.504 2.326) 5.221 7.160 ( 1.109 -0.857 3.947) 4.188 7.254 ( 1.561 0.334 -1.898) 2.480 7.371 ( -0.622 -5.531 -1.713) 5.824 7.468 ( -2.728 0.163 4.147) 4.967 7.541 ( -2.762 6.495 6.690) 9.725 7.783 ( 1.103 -12.993 -3.925) 13.618 7.944 ( 1.901 -1.384 -9.984) 10.257 7.983 ( -1.297 -11.367 5.466) 12.679 8.106 ( 1.807 -11.103 -3.174) 11.688 8.188 ( -0.047 -8.220 -2.380) 8.558 8.302 ( 2.577 -7.529 -5.455) 9.648 8.601 ( -4.213 0.903 7.638) 8.770 8.718 ( 0.534 -4.053 5.819) 7.111 8.818 ( -2.028 2.067 -1.022) 3.071 8.993 ( 1.357 -3.520 -2.858) 4.733 9.321 ( -1.204 4.573 0.303) 4.739 9.357 ( 1.132 3.320 0.440) 3.535 9.491 ( 1.381 2.115 -0.536) 2.582 9.542 ( 3.874 0.541 -0.126) 3.914 10.451 ( -4.272 1.160 -0.598) 4.467 10.510 ( -1.295 -1.833 0.108) 2.247 10.581 ( -3.234 7.995 1.450) 8.745 10.662 ( -1.173 9.125 -1.046) 9.259 10.668 ( -0.364 7.322 0.244) 7.335 10.758 ( 0.818 0.872 0.566) 1.323 10.913 ( 2.268 2.425 -0.091) 3.322 10.980 ( 1.317 -1.716 0.045) 2.163 11.678 ( -4.525 7.169 2.480) 8.833 11.695 ( -2.764 8.747 1.087) 9.238 11.762 ( -2.118 10.596 -1.471) 10.905 12.002 ( 5.108 13.420 -2.685) 14.608 12.303 ( 0.442 -0.282 -2.556) 2.609 12.314 ( -0.287 4.010 -3.141) 5.102 12.606 ( -2.731 -4.667 0.681) 5.450 12.777 ( 4.221 -11.960 -0.221) 12.685 13.071 ( -0.287 -1.949 4.983) 5.359 13.195 ( 2.980 -5.609 0.404) 6.364 13.431 ( 0.106 0.399 3.633) 3.657 13.465 ( -0.452 -1.385 0.279) 1.483 13.620 ( -0.376 -2.234 -1.855) 2.928 13.687 ( 1.285 -3.357 -4.891) 6.070 13.847 ( -3.320 -3.560 4.023) 6.315 14.038 ( 0.055 -8.105 -2.664) 8.532 15.755 ( -2.758 2.109 0.377) 3.492 15.794 ( -1.715 0.572 -0.160) 1.815 16.116 ( 2.495 -0.596 -0.032) 2.565 16.134 ( 3.042 -1.143 -0.020) 3.249 20.654 ( 1.046 1.103 1.559) 2.177 20.673 ( 0.428 0.230 1.081) 1.186 20.774 ( 0.440 1.405 -1.615) 2.185 20.820 ( 0.502 -0.385 -3.674) 3.728 21.325 ( -3.410 -0.356 1.610) 3.788 21.372 ( -1.257 -2.398 0.751) 2.809 21.714 ( -1.047 0.870 0.269) 1.388 21.729 ( -0.878 0.487 -0.154) 1.015 22.080 ( 0.392 0.529 1.948) 2.056 22.110 ( 1.487 -0.037 -0.350) 1.528 22.128 ( -2.047 -0.681 -1.085) 2.414 22.159 ( -1.355 -0.979 -1.311) 2.124 22.591 ( -1.781 1.596 -1.484) 2.815 22.665 ( 1.201 -0.654 0.861) 1.616 22.695 ( 1.881 -0.326 0.468) 1.965 22.779 ( 4.291 -2.924 0.535) 5.220 23.687 ( 0.023 3.277 1.283) 3.519 23.707 ( -0.647 0.628 0.523) 1.043 23.751 ( 1.124 3.163 -0.237) 3.365 23.785 ( 1.528 0.719 -1.255) 2.104 23.917 ( -0.680 4.969 0.259) 5.022 23.962 ( -0.846 5.663 -1.460) 5.909 24.122 ( -0.922 -3.018 2.329) 3.922 24.208 ( -0.275 -3.569 -2.587) 4.417 24.417 ( -2.238 3.872 0.120) 4.474 24.500 ( 1.414 4.796 0.326) 5.011 24.745 ( -4.938 -10.318 -0.977) 11.481 24.828 ( -0.875 -9.795 0.791) 9.866 ======================= Grid point 104 (52/88) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -4.798 -1.866 -1.373) 5.328 1.099 ( -2.740 -1.449 -2.826) 4.195 1.257 ( -1.362 0.996 1.818) 2.481 1.340 ( 0.067 2.182 1.766) 2.808 1.390 ( -2.046 2.882 2.269) 4.200 1.545 ( 0.260 2.930 -1.828) 3.464 1.584 ( -0.063 1.572 -1.500) 2.174 1.645 ( -2.226 -2.868 1.339) 3.870 1.730 ( 0.017 2.881 0.779) 2.985 1.858 ( 1.563 0.702 -0.848) 1.911 1.881 ( -4.357 -1.016 -1.210) 4.635 1.926 ( 3.257 1.823 -0.782) 3.814 2.106 ( -4.572 2.605 0.884) 5.335 2.172 ( -5.247 -0.311 2.334) 5.751 2.330 ( 2.337 1.418 -2.099) 3.447 2.379 ( -0.865 9.857 -1.233) 9.972 2.513 ( -6.670 0.286 -2.786) 7.235 2.580 ( -4.691 2.842 2.977) 6.241 2.720 ( -3.563 -1.067 -3.199) 4.906 2.890 ( -0.881 -4.262 -0.098) 4.353 3.027 ( -3.835 5.755 1.213) 7.022 3.053 ( -2.276 2.701 7.975) 8.722 3.085 ( -1.633 5.023 -1.826) 5.589 3.168 ( -2.813 3.018 -0.560) 4.164 3.302 ( 5.879 -7.397 -1.236) 9.529 3.490 ( -2.443 0.922 0.813) 2.734 3.606 ( -0.257 -6.801 -9.072) 11.341 3.646 ( -0.151 -11.091 -1.788) 11.235 3.712 ( -2.793 -3.225 1.050) 4.394 3.831 ( -1.945 -3.048 2.451) 4.368 3.846 ( -2.505 -2.510 2.630) 4.415 3.953 ( -0.098 4.136 -0.164) 4.141 4.016 ( -1.528 -9.404 -2.837) 9.940 4.154 ( -3.342 -1.784 1.459) 4.060 4.216 ( 2.506 -2.268 -4.642) 5.742 4.356 ( 1.205 1.225 -3.977) 4.333 4.462 ( -2.506 -2.916 -0.662) 3.902 4.498 ( 0.902 0.183 5.098) 5.180 4.578 ( 0.804 -1.817 0.287) 2.008 4.807 ( -2.023 -10.808 -0.741) 11.021 5.095 ( -5.891 6.397 7.866) 11.726 5.185 ( -0.918 5.173 1.225) 5.395 5.217 ( -0.613 5.791 -0.129) 5.825 5.403 ( 3.451 1.614 -0.635) 3.862 5.495 ( -2.945 -0.648 6.992) 7.614 5.613 ( 2.187 -1.515 -4.813) 5.500 5.670 ( 1.552 -8.397 0.879) 8.584 5.688 ( 0.724 -1.807 0.152) 1.952 5.973 ( 2.052 11.830 -4.627) 12.868 6.055 ( -2.219 10.563 2.403) 11.058 6.285 ( 4.534 3.576 1.648) 6.005 6.418 ( 0.130 0.744 0.332) 0.825 6.628 ( 3.503 -2.804 -4.816) 6.582 6.648 ( 5.154 6.693 -11.146) 13.986 6.840 ( -2.879 -2.759 6.764) 7.852 7.065 ( 0.694 4.341 0.506) 4.425 7.111 ( -0.087 -4.816 2.863) 5.603 7.223 ( 2.144 -1.163 5.378) 5.905 7.284 ( 2.663 0.954 -1.069) 3.024 7.338 ( 0.373 -5.263 -4.922) 7.215 7.454 ( -1.628 0.484 2.451) 2.982 7.536 ( -3.513 5.723 8.070) 10.499 7.771 ( 0.843 -12.454 -4.108) 13.141 7.927 ( 3.122 -0.473 -7.760) 8.377 7.987 ( -1.448 -10.731 2.931) 11.218 8.126 ( 2.758 -6.880 -3.548) 8.218 8.177 ( 0.029 -9.070 0.384) 9.078 8.319 ( 2.812 -8.999 -4.253) 10.343 8.572 ( -4.855 0.727 7.241) 8.748 8.735 ( -3.528 -6.391 4.258) 8.452 8.790 ( 1.042 3.350 -1.561) 3.839 8.993 ( 0.497 -4.200 -2.347) 4.837 9.308 ( -0.313 4.829 0.221) 4.844 9.369 ( 0.070 2.326 -0.020) 2.327 9.541 ( 4.392 3.403 -0.137) 5.558 9.631 ( 5.977 0.053 0.202) 5.981 10.349 ( -6.314 1.857 -0.855) 6.637 10.447 ( -5.417 -2.396 0.358) 5.934 10.559 ( -0.762 10.019 1.453) 10.152 10.629 ( -0.995 10.525 -1.678) 10.704 10.661 ( -0.542 7.442 -0.005) 7.462 10.761 ( -1.061 0.673 1.028) 1.624 10.963 ( 3.121 -0.856 -0.933) 3.368 11.002 ( 0.792 -4.065 0.715) 4.203 11.609 ( -4.166 8.900 0.242) 9.830 11.627 ( -3.695 10.910 -0.136) 11.520 11.741 ( -2.102 9.489 3.435) 10.308 12.062 ( 4.078 11.848 -3.669) 13.056 12.238 ( -1.469 0.656 -4.394) 4.679 12.352 ( 1.318 4.932 2.118) 5.526 12.556 ( -2.153 -2.784 -0.939) 3.642 12.847 ( 4.086 -13.464 -1.677) 14.170 13.118 ( 1.329 -0.388 5.248) 5.427 13.259 ( 4.139 -7.277 -0.725) 8.403 13.433 ( -0.896 -0.261 0.082) 0.937 13.486 ( 0.876 0.633 3.122) 3.304 13.597 ( -0.666 -2.031 -1.672) 2.714 13.660 ( -0.433 -6.332 -4.243) 7.635 13.823 ( -2.493 -1.527 3.631) 4.662 14.006 ( -1.977 -7.581 -1.629) 8.002 15.704 ( -2.945 2.256 0.298) 3.722 15.755 ( -2.238 0.169 -0.244) 2.258 16.172 ( 3.431 -0.474 -0.049) 3.464 16.194 ( 3.392 -1.143 -0.031) 3.579 20.679 ( 1.079 1.440 -0.013) 1.799 20.700 ( 1.293 0.904 1.745) 2.352 20.775 ( 0.382 0.711 -0.439) 0.919 20.806 ( 0.907 -0.677 -3.591) 3.765 21.258 ( -5.164 0.179 1.805) 5.473 21.342 ( -2.384 -3.474 0.291) 4.223 21.693 ( -1.611 0.612 0.402) 1.770 21.704 ( -1.695 0.094 -0.236) 1.714 22.045 ( -3.229 1.663 -0.494) 3.666 22.115 ( 0.048 -0.129 -2.295) 2.299 22.136 ( 0.960 -1.126 0.881) 1.723 22.154 ( 1.073 -0.387 1.791) 2.123 22.560 ( -0.579 1.911 -0.986) 2.227 22.663 ( -0.145 -2.989 0.073) 2.993 22.770 ( 3.859 1.576 1.226) 4.345 22.859 ( 4.297 -2.301 -0.620) 4.913 23.695 ( -0.621 2.182 0.468) 2.317 23.705 ( 0.748 1.694 0.600) 1.947 23.772 ( 1.064 3.292 -0.082) 3.460 23.802 ( 1.425 1.892 -1.406) 2.755 23.905 ( -0.633 4.284 -0.426) 4.352 23.932 ( -1.466 4.030 -0.213) 4.294 24.115 ( -1.640 -4.122 1.977) 4.857 24.175 ( -1.664 -4.303 -2.075) 5.058 24.379 ( -1.997 2.793 0.188) 3.438 24.525 ( 1.005 4.886 0.041) 4.988 24.636 ( -5.824 -8.495 -0.862) 10.336 24.804 ( -2.176 -8.018 0.796) 8.346 ======================= Grid point 105 (53/88) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -8.472 2.772 0.739) 8.945 1.011 ( -5.166 0.564 0.102) 5.198 1.209 ( -5.597 5.804 2.533) 8.451 1.321 ( -1.602 1.419 1.528) 2.629 1.417 ( 1.290 -1.839 1.173) 2.534 1.531 ( -4.339 1.427 -1.545) 4.821 1.550 ( -0.214 4.502 -2.338) 5.078 1.614 ( -0.787 0.653 1.090) 1.494 1.714 ( -3.995 0.610 -1.608) 4.349 1.740 ( -3.631 4.584 0.571) 5.876 1.900 ( 1.186 0.908 -0.663) 1.635 1.957 ( -0.165 1.490 -0.586) 1.610 2.074 ( -1.283 -0.176 1.472) 1.960 2.137 ( 0.384 -1.178 3.004) 3.249 2.334 ( -5.695 3.859 -1.302) 7.001 2.355 ( -2.832 0.931 -0.787) 3.083 2.373 ( 1.178 4.424 -0.109) 4.580 2.514 ( -3.577 3.368 1.892) 5.265 2.656 ( -1.950 -4.402 -1.933) 5.188 2.867 ( -0.267 -5.353 -3.499) 6.400 2.962 ( -4.565 3.313 3.483) 6.629 3.047 ( -3.765 2.258 2.745) 5.177 3.070 ( 0.757 7.398 -1.778) 7.646 3.133 ( 0.264 4.146 -2.302) 4.749 3.343 ( 1.756 -4.833 -7.150) 8.808 3.488 ( 2.182 -3.501 1.223) 4.302 3.553 ( 1.696 -5.389 -9.082) 10.696 3.666 ( 1.880 -5.816 3.034) 6.824 3.682 ( -1.418 -1.548 1.152) 2.394 3.770 ( -3.801 -1.301 0.682) 4.075 3.853 ( -1.089 -5.508 3.604) 6.672 3.946 ( -1.077 -1.464 0.053) 1.819 4.015 ( 2.417 -7.645 -0.029) 8.019 4.117 ( -1.406 -2.826 1.012) 3.314 4.209 ( -0.308 2.515 -4.278) 4.972 4.334 ( -2.799 -0.508 0.935) 2.994 4.434 ( 1.797 -3.865 -3.444) 5.480 4.534 ( -1.125 0.188 5.439) 5.557 4.597 ( 1.826 -4.120 -1.290) 4.688 4.758 ( -3.935 -10.735 1.707) 11.560 5.033 ( -7.182 6.478 8.192) 12.675 5.158 ( -2.216 9.430 1.328) 9.778 5.215 ( -0.193 3.966 0.125) 3.973 5.417 ( -1.300 4.900 -1.659) 5.334 5.502 ( -1.225 -2.205 5.502) 6.052 5.611 ( 0.213 -4.697 -1.548) 4.950 5.645 ( -0.538 -4.267 -3.112) 5.308 5.759 ( 4.900 -5.012 -2.045) 7.301 5.985 ( 0.987 10.468 -0.370) 10.521 6.050 ( 0.931 12.717 -0.667) 12.768 6.352 ( 1.667 8.262 1.381) 8.541 6.431 ( 0.629 -5.376 1.530) 5.625 6.601 ( 0.482 7.936 -6.444) 10.234 6.703 ( 6.553 -5.013 -8.837) 12.090 6.833 ( -2.993 -4.136 6.740) 8.455 7.087 ( 0.249 3.403 1.929) 3.920 7.111 ( -1.646 -6.980 2.060) 7.461 7.291 ( -1.353 -6.660 1.564) 6.974 7.302 ( 2.255 -0.503 4.634) 5.178 7.366 ( 4.417 3.954 -2.851) 6.578 7.443 ( 0.762 1.774 -1.839) 2.667 7.530 ( -2.708 2.450 6.462) 7.423 7.767 ( 1.844 -9.868 -3.515) 10.636 7.933 ( 2.561 -1.473 -5.424) 6.177 7.981 ( -0.008 -7.515 -0.476) 7.530 8.145 ( 2.425 -5.240 -3.448) 6.725 8.196 ( 0.178 -9.977 2.552) 10.300 8.333 ( 2.075 -9.994 -4.486) 11.149 8.533 ( -5.052 0.719 7.271) 8.883 8.689 ( -3.016 -3.211 1.429) 4.631 8.804 ( 0.438 -0.380 0.262) 0.637 8.976 ( -0.440 -4.701 -2.282) 5.244 9.314 ( 0.777 4.542 0.115) 4.610 9.362 ( -0.500 2.509 -0.531) 2.613 9.640 ( 6.432 3.882 0.101) 7.513 9.754 ( 7.381 -0.417 0.368) 7.402 10.217 ( -7.637 2.198 -0.946) 8.003 10.335 ( -7.097 -2.390 0.159) 7.490 10.564 ( 0.123 10.910 1.282) 10.986 10.609 ( 0.076 10.819 -1.625) 10.940 10.651 ( -0.239 7.258 -0.588) 7.285 10.736 ( -2.295 1.127 0.847) 2.694 10.996 ( 0.349 -4.788 0.850) 4.875 11.022 ( 1.657 -4.438 -0.997) 4.841 11.544 ( -2.606 12.277 -0.613) 12.565 11.576 ( -2.402 11.139 0.953) 11.435 11.726 ( -2.855 8.764 5.107) 10.537 12.093 ( 2.972 8.055 -5.810) 10.367 12.197 ( -0.787 3.410 -1.574) 3.837 12.375 ( -0.109 6.712 0.810) 6.761 12.534 ( 0.057 -2.665 0.688) 2.753 12.891 ( 2.951 -12.990 -4.097) 13.937 13.190 ( 2.738 -0.452 4.398) 5.201 13.323 ( 3.495 -8.486 -1.669) 9.328 13.419 ( -1.117 0.593 0.770) 1.481 13.520 ( 1.575 0.968 1.097) 2.150 13.570 ( -2.037 -2.518 0.151) 3.243 13.635 ( 1.046 -6.718 -2.198) 7.146 13.803 ( -2.485 -0.924 3.053) 4.043 13.942 ( -4.185 -6.456 -0.790) 7.734 15.659 ( -2.203 2.382 0.382) 3.267 15.716 ( -1.668 -0.082 -0.525) 1.751 16.229 ( 2.882 -0.562 -0.050) 2.937 16.248 ( 2.555 -1.153 -0.057) 2.804 20.700 ( 1.352 1.878 -0.214) 2.324 20.735 ( 1.131 1.330 1.950) 2.617 20.778 ( 0.287 0.345 -0.585) 0.737 20.807 ( 1.629 -0.834 -2.342) 2.973 21.172 ( -5.743 0.666 2.179) 6.178 21.295 ( -2.713 -4.715 -0.324) 5.449 21.661 ( -2.069 0.349 0.075) 2.100 21.670 ( -1.602 -0.460 -0.759) 1.832 21.992 ( -2.546 2.264 0.706) 3.480 22.096 ( -0.324 -1.670 -1.316) 2.150 22.161 ( 0.997 0.423 0.335) 1.133 22.182 ( 1.329 0.370 -0.737) 1.564 22.559 ( 0.410 1.989 1.070) 2.295 22.669 ( 0.013 -3.281 2.019) 3.853 22.833 ( 2.622 1.847 -0.288) 3.221 22.917 ( 3.297 -1.866 -2.157) 4.359 23.684 ( -0.599 2.589 0.075) 2.658 23.726 ( 1.171 1.103 -0.400) 1.658 23.782 ( 0.262 3.726 -0.014) 3.736 23.816 ( 0.707 4.378 -0.389) 4.452 23.891 ( -0.228 2.255 -0.545) 2.331 23.916 ( -0.466 1.369 0.503) 1.531 24.089 ( -2.394 -5.033 1.064) 5.674 24.121 ( -3.049 -4.876 -0.931) 5.826 24.352 ( -1.280 2.302 0.729) 2.733 24.516 ( -1.786 0.137 -2.743) 3.276 24.562 ( -1.685 -1.647 2.169) 3.203 24.769 ( -1.820 -6.187 -0.322) 6.458 ======================= Grid point 106 (54/88) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -8.379 8.888 7.698) 14.439 0.941 ( -4.203 7.670 4.415) 9.798 1.115 ( -5.481 2.420 2.597) 6.530 1.295 ( -3.102 1.001 -1.423) 3.557 1.385 ( -4.097 1.531 -5.491) 7.020 1.461 ( 1.363 -2.254 0.941) 2.797 1.531 ( -2.793 3.661 1.649) 4.891 1.574 ( -1.646 6.721 0.439) 6.933 1.677 ( -2.693 1.777 4.555) 5.582 1.743 ( 3.752 0.964 -1.906) 4.318 1.887 ( -2.750 -3.313 -0.575) 4.344 1.941 ( 0.485 2.285 -1.268) 2.658 2.082 ( 1.073 1.223 1.559) 2.253 2.153 ( -1.586 -1.558 0.532) 2.286 2.230 ( -3.033 7.132 0.248) 7.754 2.336 ( 0.590 -1.925 1.911) 2.776 2.438 ( 3.853 0.094 1.149) 4.022 2.482 ( -2.343 3.009 1.823) 4.227 2.612 ( -2.426 -6.346 0.648) 6.825 2.822 ( -0.254 -7.418 -7.683) 10.683 2.912 ( -3.620 2.414 2.314) 4.928 2.973 ( -3.941 0.649 -0.702) 4.056 3.069 ( 0.430 9.636 -1.680) 9.790 3.141 ( 1.458 4.913 -0.609) 5.160 3.339 ( 3.882 -2.467 -6.775) 8.188 3.507 ( 2.672 -3.627 -7.756) 8.970 3.577 ( 4.569 -6.031 -1.705) 7.756 3.679 ( 0.477 -5.857 -0.155) 5.879 3.710 ( -2.220 2.425 -0.504) 3.326 3.727 ( 0.303 -2.626 4.640) 5.340 3.858 ( -0.468 -3.974 1.862) 4.414 3.930 ( -0.488 -5.006 0.144) 5.032 4.055 ( -0.861 -4.524 4.736) 6.606 4.124 ( 1.344 -2.114 -0.554) 2.566 4.157 ( -0.951 3.543 -3.865) 5.329 4.282 ( -3.115 -0.034 1.882) 3.639 4.467 ( 3.940 -3.684 -3.495) 6.427 4.528 ( -3.559 -3.797 4.201) 6.688 4.615 ( -0.829 -3.877 1.129) 4.123 4.708 ( -0.997 -9.746 0.226) 9.799 4.963 ( -6.686 6.343 7.777) 12.059 5.131 ( -1.737 10.483 1.364) 10.714 5.215 ( -0.941 3.938 3.169) 5.142 5.373 ( -2.152 6.675 0.420) 7.026 5.504 ( -0.269 -4.552 -1.575) 4.825 5.601 ( -1.014 -4.024 -0.345) 4.164 5.621 ( 0.428 -1.441 -2.061) 2.550 5.816 ( 3.915 -6.279 -4.879) 8.863 5.989 ( -1.750 9.859 3.260) 10.531 6.082 ( 4.108 11.586 -3.291) 12.726 6.373 ( 0.483 10.091 -0.228) 10.105 6.455 ( 0.105 -7.162 2.751) 7.673 6.568 ( 0.154 7.467 -4.291) 8.614 6.749 ( 5.381 -4.580 -8.461) 11.024 6.835 ( -2.086 -5.608 6.871) 9.111 7.069 ( -2.235 -4.652 0.244) 5.167 7.119 ( -0.107 -0.766 3.451) 3.536 7.283 ( -1.021 -5.771 1.669) 6.093 7.344 ( -2.988 0.838 4.856) 5.763 7.388 ( -0.485 0.644 4.445) 4.517 7.468 ( 1.130 2.235 -0.433) 2.541 7.568 ( 6.767 2.006 -3.853) 8.042 7.777 ( 0.655 -6.299 -1.494) 6.507 7.943 ( 2.382 -2.792 -4.049) 5.464 7.977 ( 0.664 -5.451 -2.534) 6.048 8.171 ( 2.322 -7.178 -2.171) 7.850 8.197 ( -1.525 -7.701 1.246) 7.949 8.327 ( 1.242 -11.083 -5.658) 12.505 8.502 ( -4.217 0.921 7.651) 8.785 8.660 ( -1.176 -2.689 1.383) 3.244 8.805 ( -0.648 -1.250 0.733) 1.588 8.952 ( -0.166 -4.967 -2.550) 5.586 9.333 ( 1.282 3.947 -0.216) 4.156 9.345 ( -0.843 3.436 -0.740) 3.614 9.768 ( 7.753 3.655 -0.103) 8.571 9.896 ( 7.937 -0.842 0.448) 7.994 10.067 ( -8.125 2.327 -0.929) 8.502 10.199 ( -8.015 -2.409 0.020) 8.369 10.576 ( 0.056 11.770 1.021) 11.814 10.606 ( 0.692 9.053 -1.231) 9.162 10.647 ( 0.496 6.464 -1.207) 6.595 10.698 ( -2.238 3.015 0.285) 3.766 10.996 ( -1.179 -6.233 1.786) 6.590 11.042 ( 1.608 -4.705 -1.962) 5.345 11.512 ( -0.937 13.641 0.561) 13.685 11.551 ( -0.984 12.554 0.587) 12.607 11.715 ( -2.729 7.769 6.174) 10.292 12.089 ( 2.141 4.947 -7.472) 9.214 12.187 ( 0.007 6.256 0.428) 6.270 12.363 ( -0.496 6.500 -1.993) 6.817 12.559 ( 0.511 -3.169 3.550) 4.786 12.895 ( 1.813 -12.206 -6.403) 13.902 13.265 ( 2.499 -0.072 2.105) 3.268 13.343 ( -1.430 -1.767 -0.869) 2.433 13.410 ( 1.754 -5.336 0.163) 5.619 13.527 ( -2.673 -3.984 1.738) 5.102 13.589 ( 4.824 -0.702 0.730) 4.929 13.660 ( 1.492 -4.373 1.258) 4.788 13.776 ( -2.278 -1.443 1.776) 3.229 13.849 ( -5.571 -4.685 -0.412) 7.291 15.632 ( -1.163 2.373 0.591) 2.708 15.689 ( -0.800 -0.157 -0.893) 1.210 16.271 ( 1.693 -0.737 -0.013) 1.847 16.282 ( 1.243 -1.138 -0.068) 1.687 20.719 ( 0.481 1.875 0.518) 2.004 20.769 ( 0.789 1.190 2.078) 2.521 20.779 ( 0.995 0.878 -1.652) 2.119 20.828 ( 1.699 -0.437 -0.878) 1.962 21.095 ( -4.460 0.792 3.006) 5.436 21.246 ( -2.018 -5.673 -0.991) 6.102 21.624 ( -1.639 0.132 -1.012) 1.930 21.637 ( -1.000 -0.925 -1.418) 1.967 21.968 ( -1.292 2.747 2.214) 3.757 22.088 ( 0.034 -2.151 -0.292) 2.171 22.171 ( 0.413 0.808 -1.045) 1.384 22.187 ( 0.763 0.554 -2.993) 3.138 22.585 ( 0.558 1.989 3.309) 3.901 22.692 ( -0.144 -3.094 4.443) 5.416 22.857 ( 1.083 2.134 -2.208) 3.256 22.947 ( 2.166 -1.877 -3.227) 4.316 23.677 ( -0.305 3.334 0.207) 3.354 23.733 ( 0.491 1.837 -1.875) 2.671 23.790 ( 0.216 3.333 1.110) 3.519 23.819 ( -0.253 4.360 0.440) 4.389 23.897 ( 1.181 0.470 -0.341) 1.316 23.913 ( -0.323 0.401 0.215) 0.558 24.052 ( -2.187 -4.785 0.191) 5.264 24.062 ( -2.567 -5.185 0.038) 5.786 24.343 ( -0.572 2.068 1.308) 2.513 24.469 ( -0.981 -1.965 -1.991) 2.965 24.564 ( -0.378 1.549 1.864) 2.452 24.737 ( -0.854 -4.924 -1.789) 5.308 ======================= Grid point 107 (55/88) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.246 -8.372 4.607) 9.559 0.936 ( -0.246 8.372 4.607) 9.559 1.153 ( -0.504 -7.560 0.362) 7.585 1.153 ( -0.504 7.560 0.362) 7.585 1.425 ( 0.496 -4.654 1.447) 4.899 1.425 ( 0.496 4.654 1.447) 4.899 1.602 ( -1.594 -4.981 1.405) 5.415 1.602 ( -1.594 4.981 1.405) 5.415 1.745 ( 1.236 -2.878 -0.372) 3.154 1.745 ( 1.236 2.878 -0.372) 3.154 1.892 ( -1.015 -10.115 2.347) 10.434 1.892 ( -1.015 10.115 2.347) 10.434 2.109 ( 1.156 -1.266 -0.166) 1.722 2.109 ( 1.156 1.266 -0.166) 1.722 2.318 ( 1.702 -1.899 1.948) 3.209 2.318 ( 1.702 1.899 1.948) 3.209 2.467 ( -3.779 -1.738 0.885) 4.253 2.467 ( -3.779 1.738 0.885) 4.253 2.623 ( 3.245 -8.519 -7.783) 11.987 2.623 ( 3.245 8.520 -7.783) 11.987 2.904 ( -1.570 -1.366 -0.748) 2.211 2.904 ( -1.570 1.366 -0.748) 2.211 3.256 ( 1.418 -6.768 -2.366) 7.309 3.256 ( 1.418 6.768 -2.366) 7.309 3.373 ( 2.090 -13.432 1.072) 13.636 3.373 ( 2.090 13.432 1.072) 13.636 3.543 ( -0.732 -4.409 -2.741) 5.243 3.543 ( -0.732 4.409 -2.741) 5.243 3.728 ( -0.739 -1.841 4.232) 4.674 3.728 ( -0.739 1.841 4.232) 4.674 3.831 ( 0.264 -4.329 -0.067) 4.338 3.831 ( 0.264 4.329 -0.067) 4.338 4.069 ( -1.364 -3.465 2.363) 4.410 4.069 ( -1.364 3.465 2.363) 4.410 4.231 ( 1.377 -4.991 -4.211) 6.674 4.231 ( 1.377 4.991 -4.211) 6.674 4.456 ( -3.105 -6.306 2.331) 7.405 4.456 ( -3.105 6.306 2.331) 7.405 4.592 ( 4.308 -5.398 -3.570) 7.775 4.592 ( 4.308 5.398 -3.570) 7.775 5.062 ( -4.903 -8.195 10.183) 13.960 5.062 ( -4.903 8.195 10.183) 13.960 5.399 ( 2.085 -5.818 -3.576) 7.140 5.399 ( 2.085 5.818 -3.576) 7.140 5.528 ( -0.097 -4.494 1.089) 4.625 5.528 ( -0.097 4.494 1.089) 4.625 5.647 ( 0.441 -8.391 -3.248) 9.009 5.647 ( 0.441 8.391 -3.248) 9.009 6.170 ( -1.114 -7.519 1.180) 7.692 6.170 ( -1.114 7.519 1.180) 7.692 6.446 ( 1.764 -5.244 -1.819) 5.824 6.446 ( 1.764 5.244 -1.819) 5.824 6.659 ( -0.884 -9.327 1.615) 9.507 6.659 ( -0.884 9.327 1.615) 9.507 6.850 ( 1.519 -9.230 -4.328) 10.307 6.850 ( 1.519 9.230 -4.328) 10.307 7.206 ( -0.533 -2.071 2.970) 3.660 7.206 ( -0.533 2.071 2.970) 3.660 7.349 ( -3.067 -4.452 6.346) 8.337 7.349 ( -3.067 4.452 6.346) 8.337 7.650 ( 3.107 -7.842 -4.828) 9.719 7.650 ( 3.107 7.842 -4.828) 9.719 7.740 ( -1.419 -4.938 4.368) 6.744 7.740 ( -1.419 4.938 4.368) 6.744 8.021 ( -0.578 -3.850 -4.413) 5.885 8.021 ( -0.578 3.850 -4.413) 5.885 8.167 ( 3.171 -3.882 -5.718) 7.604 8.167 ( 3.171 3.882 -5.718) 7.604 8.555 ( -3.421 -5.418 7.545) 9.899 8.555 ( -3.421 5.418 7.545) 9.899 8.845 ( 1.528 -4.281 -3.093) 5.498 8.845 ( 1.528 4.281 -3.093) 5.498 9.374 ( 0.118 -0.864 -1.103) 1.406 9.374 ( 0.118 0.864 -1.103) 1.406 9.957 ( -1.517 -3.040 1.238) 3.616 9.957 ( -1.517 3.040 1.238) 3.616 10.016 ( 1.399 -3.104 -1.090) 3.575 10.016 ( 1.399 3.104 -1.090) 3.575 10.670 ( -0.091 -0.726 0.179) 0.753 10.670 ( -0.091 0.726 0.179) 0.753 10.794 ( 0.164 -6.594 -0.864) 6.652 10.794 ( 0.164 6.594 -0.864) 6.652 10.900 ( -0.233 -6.414 0.241) 6.422 10.900 ( -0.233 6.414 0.241) 6.422 11.694 ( -0.185 -3.212 2.322) 3.968 11.694 ( -0.185 3.212 2.322) 3.968 11.926 ( 0.471 -13.279 0.020) 13.288 11.926 ( 0.471 13.279 0.020) 13.288 12.425 ( 0.097 -7.178 -0.928) 7.239 12.425 ( 0.097 7.178 -0.928) 7.239 12.585 ( 0.056 -13.773 -3.390) 14.184 12.585 ( 0.056 13.773 -3.390) 14.184 13.337 ( -3.738 -3.571 -0.397) 5.185 13.337 ( -3.738 3.571 -0.397) 5.185 13.371 ( 3.254 -0.887 0.751) 3.455 13.371 ( 3.254 0.887 0.751) 3.455 13.663 ( 0.482 -0.052 2.547) 2.593 13.663 ( 0.482 0.052 2.547) 2.593 13.735 ( -0.295 -1.265 0.040) 1.299 13.735 ( -0.295 1.265 0.040) 1.299 15.663 ( 0.003 -1.299 -0.170) 1.310 15.663 ( 0.003 1.299 -0.170) 1.310 16.279 ( 0.026 -0.109 -0.029) 0.116 16.279 ( 0.026 0.109 -0.029) 0.116 20.756 ( -0.647 -1.376 0.883) 1.758 20.756 ( -0.647 1.376 0.883) 1.758 20.843 ( 1.387 -0.838 -0.451) 1.682 20.843 ( 1.387 0.838 -0.451) 1.682 21.111 ( -0.832 -4.040 1.436) 4.368 21.111 ( -0.832 4.040 1.436) 4.368 21.600 ( 0.033 -0.633 -1.935) 2.036 21.600 ( 0.033 0.633 -1.935) 2.036 22.038 ( 0.174 -3.122 2.098) 3.765 22.038 ( 0.174 3.122 2.098) 3.765 22.171 ( -0.135 -0.313 -3.510) 3.526 22.171 ( -0.135 0.313 -3.510) 3.526 22.668 ( -0.114 -2.644 5.416) 6.028 22.668 ( -0.114 2.644 5.416) 6.028 22.897 ( 0.225 -2.814 -3.821) 4.751 22.897 ( 0.225 2.814 -3.821) 4.751 23.731 ( 0.225 -1.283 -0.348) 1.348 23.731 ( 0.225 1.283 -0.348) 1.348 23.880 ( -0.117 -2.042 -0.068) 2.046 23.880 ( -0.117 2.042 -0.068) 2.046 23.914 ( -0.224 -4.248 0.519) 4.285 23.914 ( -0.224 4.248 0.519) 4.285 23.949 ( 0.123 -2.626 0.061) 2.629 23.949 ( 0.123 2.626 0.061) 2.629 24.399 ( 0.118 -3.094 0.929) 3.232 24.399 ( 0.118 3.094 0.929) 3.232 24.627 ( -0.080 -3.934 -1.366) 4.166 24.628 ( -0.080 3.934 -1.366) 4.166 ======================= Grid point 109 (56/88) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 2.528 -4.667 3.373) 6.289 0.991 ( 2.528 4.667 3.373) 6.289 1.210 ( 5.509 -7.812 1.454) 9.669 1.210 ( 5.509 7.812 1.454) 9.669 1.426 ( -1.232 -4.801 0.513) 4.983 1.426 ( -1.232 4.801 0.513) 4.983 1.600 ( 0.692 -5.130 0.470) 5.197 1.600 ( 0.692 5.130 0.470) 5.197 1.790 ( 3.686 -8.306 -0.966) 9.138 1.790 ( 3.686 8.306 -0.966) 9.138 1.898 ( -0.338 -10.107 2.995) 10.547 1.898 ( -0.338 10.107 2.995) 10.547 2.141 ( 1.726 -1.884 0.443) 2.593 2.141 ( 1.726 1.884 0.443) 2.593 2.354 ( 0.276 -0.580 3.219) 3.282 2.354 ( 0.276 0.580 3.219) 3.282 2.411 ( -0.118 -5.276 -3.727) 6.460 2.411 ( -0.118 5.276 -3.727) 6.460 2.633 ( 2.355 -5.707 -5.061) 7.983 2.633 ( 2.355 5.707 -5.061) 7.983 2.902 ( 1.752 -1.337 -0.091) 2.206 2.902 ( 1.752 1.337 -0.091) 2.206 3.247 ( 0.212 -6.987 -3.651) 7.886 3.247 ( 0.212 6.987 -3.651) 7.886 3.429 ( 1.575 -10.169 4.654) 11.294 3.429 ( 1.575 10.169 4.654) 11.294 3.492 ( -1.659 -6.389 -4.913) 8.229 3.492 ( -1.659 6.389 -4.913) 8.229 3.735 ( -1.179 -1.754 3.481) 4.073 3.735 ( -1.179 1.754 3.481) 4.073 3.833 ( 0.292 -3.068 -0.070) 3.082 3.833 ( 0.292 3.068 -0.070) 3.082 4.050 ( -2.464 -5.781 2.721) 6.848 4.050 ( -2.464 5.781 2.721) 6.848 4.241 ( 2.410 -1.880 -3.884) 4.943 4.241 ( 2.410 1.880 -3.884) 4.943 4.438 ( 0.255 -5.198 0.300) 5.213 4.438 ( 0.255 5.198 0.300) 5.213 4.637 ( 2.837 -4.522 -2.165) 5.760 4.637 ( 2.837 4.522 -2.165) 5.760 5.076 ( -1.727 -8.113 9.989) 12.985 5.076 ( -1.727 8.113 9.989) 12.985 5.417 ( 2.426 -5.116 -3.464) 6.638 5.417 ( 2.426 5.116 -3.464) 6.638 5.526 ( -1.179 -0.855 1.647) 2.198 5.526 ( -1.179 0.855 1.647) 2.198 5.629 ( 0.500 -5.466 -3.313) 6.411 5.629 ( 0.500 5.466 -3.313) 6.411 6.166 ( -0.297 -8.500 1.284) 8.602 6.166 ( -0.297 8.500 1.284) 8.602 6.450 ( 0.556 -5.022 -2.875) 5.813 6.450 ( 0.556 5.022 -2.875) 5.813 6.647 ( -2.125 -11.697 3.068) 12.278 6.647 ( -2.125 11.697 3.068) 12.278 6.857 ( 3.040 -7.980 -5.604) 10.214 6.857 ( 3.040 7.980 -5.604) 10.214 7.211 ( -2.314 -1.911 4.942) 5.782 7.211 ( -2.314 1.911 4.942) 5.782 7.335 ( -2.395 -6.218 3.521) 7.536 7.335 ( -2.395 6.218 3.521) 7.536 7.650 ( 0.839 -8.143 -5.176) 9.686 7.650 ( 0.839 8.143 -5.176) 9.686 7.737 ( -2.658 -8.725 5.507) 10.654 7.737 ( -2.658 8.725 5.507) 10.654 7.981 ( -0.264 -2.885 -3.236) 4.344 7.981 ( -0.264 2.885 -3.236) 4.344 8.188 ( 3.837 -5.064 -6.504) 9.092 8.188 ( 3.837 5.064 -6.504) 9.092 8.549 ( -3.184 -5.610 7.341) 9.772 8.549 ( -3.184 5.610 7.341) 9.772 8.862 ( 2.484 -4.700 -2.720) 5.971 8.862 ( 2.484 4.700 -2.720) 5.971 9.365 ( -0.221 -1.825 -0.902) 2.048 9.365 ( -0.221 1.825 -0.902) 2.048 9.840 ( -7.483 -3.513 0.480) 8.280 9.840 ( -7.483 3.513 0.480) 8.280 10.138 ( 7.948 -3.493 -0.306) 8.687 10.138 ( 7.948 3.493 -0.306) 8.687 10.681 ( 1.198 -2.481 -0.000) 2.756 10.681 ( 1.198 2.481 -0.000) 2.756 10.792 ( 0.117 -8.926 -0.331) 8.932 10.792 ( 0.117 8.926 -0.331) 8.933 10.890 ( -0.895 -8.256 0.106) 8.305 10.890 ( -0.895 8.256 0.106) 8.305 11.714 ( 0.454 -4.598 2.345) 5.181 11.714 ( 0.454 4.598 2.345) 5.181 11.942 ( 1.492 -13.397 -0.745) 13.500 11.942 ( 1.492 13.397 -0.745) 13.500 12.418 ( -0.256 -3.933 -0.773) 4.017 12.418 ( -0.256 3.933 -0.773) 4.017 12.569 ( 0.703 -11.047 -2.398) 11.326 12.569 ( 0.703 11.047 -2.398) 11.326 13.241 ( -5.713 -7.319 -0.334) 9.290 13.241 ( -5.713 7.319 -0.334) 9.290 13.436 ( 2.418 -3.218 0.802) 4.104 13.436 ( 2.418 3.218 0.802) 4.104 13.640 ( -2.503 -2.034 0.927) 3.356 13.640 ( -2.503 2.034 0.927) 3.356 13.789 ( 4.044 -1.745 0.823) 4.481 13.789 ( 4.044 1.745 0.823) 4.481 15.671 ( 1.015 -1.025 -0.137) 1.449 15.671 ( 1.015 1.025 -0.137) 1.449 16.266 ( -1.400 -0.309 -0.045) 1.434 16.266 ( -1.400 0.309 -0.045) 1.434 20.744 ( -1.429 -1.330 0.718) 2.080 20.744 ( -1.429 1.330 0.718) 2.080 20.851 ( 0.102 -1.167 -0.664) 1.347 20.851 ( 0.102 1.167 -0.664) 1.347 21.136 ( 2.271 -2.871 1.419) 3.926 21.136 ( 2.271 2.871 1.419) 3.926 21.604 ( 1.863 -0.914 -1.424) 2.517 21.604 ( 1.863 0.914 -1.424) 2.517 22.059 ( 0.321 -2.573 1.938) 3.237 22.059 ( 0.321 2.573 1.938) 3.237 22.142 ( -0.184 -0.348 -2.957) 2.983 22.142 ( -0.184 0.348 -2.957) 2.983 22.700 ( -0.759 -2.361 5.515) 6.047 22.700 ( -0.759 2.361 5.515) 6.047 22.857 ( -1.292 -3.239 -4.498) 5.692 22.857 ( -1.292 3.239 -4.498) 5.692 23.727 ( -0.408 -0.801 -0.361) 0.969 23.727 ( -0.408 0.801 -0.361) 0.969 23.869 ( -0.913 -1.624 0.005) 1.863 23.869 ( -0.913 1.624 0.005) 1.863 23.933 ( 1.714 -5.403 0.404) 5.683 23.933 ( 1.714 5.403 0.404) 5.683 23.966 ( 1.750 -3.160 -0.012) 3.612 23.966 ( 1.750 3.160 -0.012) 3.612 24.419 ( 1.391 -3.073 0.943) 3.503 24.419 ( 1.391 3.073 0.943) 3.503 24.616 ( -0.164 -3.083 -1.228) 3.323 24.616 ( -0.164 3.083 -1.228) 3.323 ======================= Grid point 111 (57/88) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 1.601 -2.721 0.297) 3.171 1.042 ( 1.601 2.721 0.297) 3.171 1.341 ( 5.348 -7.164 3.585) 9.632 1.341 ( 5.348 7.164 3.585) 9.632 1.388 ( -2.370 -3.619 -0.774) 4.395 1.388 ( -2.370 3.619 -0.773) 4.395 1.627 ( 2.135 -5.960 -0.986) 6.407 1.627 ( 2.135 5.960 -0.986) 6.407 1.843 ( 2.581 -8.513 -1.548) 9.029 1.843 ( 2.581 8.513 -1.548) 9.029 1.913 ( 0.187 -7.590 1.094) 7.671 1.913 ( 0.187 7.590 1.094) 7.671 2.151 ( -2.087 -2.637 3.338) 4.739 2.151 ( -2.087 2.637 3.338) 4.739 2.380 ( 2.733 -3.545 -1.941) 4.879 2.380 ( 2.733 3.545 -1.941) 4.879 2.460 ( 7.279 -4.013 -1.236) 8.403 2.460 ( 7.279 4.013 -1.236) 8.403 2.630 ( 0.741 -6.091 -2.924) 6.797 2.630 ( 0.741 6.091 -2.924) 6.797 2.953 ( 3.136 -1.805 0.959) 3.743 2.953 ( 3.136 1.805 0.959) 3.743 3.219 ( -0.743 -4.892 -2.484) 5.537 3.219 ( -0.743 4.892 -2.484) 5.537 3.422 ( -2.397 -8.992 -1.613) 9.445 3.422 ( -2.398 8.992 -1.613) 9.445 3.504 ( 3.493 -5.514 1.515) 6.701 3.504 ( 3.493 5.514 1.515) 6.701 3.733 ( -0.556 -2.991 1.194) 3.268 3.733 ( -0.556 2.991 1.194) 3.269 3.859 ( 2.795 -5.967 -0.083) 6.590 3.859 ( 2.795 5.967 -0.083) 6.590 4.028 ( -1.882 -8.768 2.880) 9.419 4.028 ( -1.882 8.768 2.880) 9.419 4.251 ( 1.079 -0.737 -2.649) 2.954 4.251 ( 1.079 0.737 -2.649) 2.954 4.455 ( 1.554 -2.646 -1.731) 3.523 4.455 ( 1.554 2.646 -1.731) 3.523 4.668 ( 2.163 -2.776 -1.267) 3.740 4.668 ( 2.163 2.776 -1.267) 3.740 5.127 ( -0.568 -6.274 9.158) 11.116 5.127 ( -0.568 6.275 9.158) 11.116 5.419 ( -0.202 -3.572 -2.484) 4.355 5.419 ( -0.202 3.572 -2.484) 4.355 5.514 ( -0.943 -5.828 0.987) 5.986 5.514 ( -0.943 5.828 0.987) 5.986 5.627 ( 1.323 -1.027 -1.990) 2.601 5.627 ( 1.323 1.027 -1.990) 2.601 6.174 ( -0.191 -9.139 1.581) 9.277 6.174 ( -0.191 9.139 1.581) 9.277 6.425 ( -0.057 -5.334 -5.390) 7.583 6.425 ( -0.057 5.334 -5.390) 7.583 6.633 ( -2.005 -14.244 3.885) 14.900 6.633 ( -2.005 14.244 3.885) 14.900 6.872 ( 2.637 -7.388 -4.878) 9.237 6.872 ( 2.637 7.388 -4.878) 9.237 7.183 ( -5.391 -4.775 6.530) 9.722 7.183 ( -5.391 4.775 6.530) 9.722 7.320 ( -0.288 -3.254 -0.406) 3.292 7.320 ( -0.288 3.254 -0.406) 3.292 7.618 ( -0.110 -7.594 -4.572) 8.865 7.618 ( -0.110 7.594 -4.572) 8.865 7.726 ( -2.797 -11.126 5.047) 12.533 7.726 ( -2.797 11.126 5.047) 12.533 7.972 ( 0.432 -3.963 -0.201) 3.992 7.972 ( 0.432 3.963 -0.201) 3.992 8.207 ( 3.913 -6.177 -7.964) 10.812 8.207 ( 3.913 6.177 -7.964) 10.812 8.548 ( -2.574 -5.102 7.374) 9.329 8.548 ( -2.574 5.102 7.374) 9.329 8.888 ( 2.229 -5.285 -2.193) 6.140 8.888 ( 2.229 5.285 -2.193) 6.140 9.358 ( 0.004 -2.475 -0.468) 2.519 9.358 ( 0.004 2.475 -0.468) 2.519 9.717 ( -6.579 -2.924 0.412) 7.212 9.717 ( -6.579 2.924 0.412) 7.212 10.274 ( 7.313 -3.151 -0.242) 7.966 10.274 ( 7.313 3.151 -0.242) 7.966 10.709 ( 1.784 -4.806 -0.232) 5.131 10.709 ( 1.784 4.806 -0.232) 5.131 10.791 ( -0.370 -9.900 0.604) 9.925 10.791 ( -0.370 9.900 0.604) 9.925 10.875 ( -0.568 -9.921 -0.224) 9.940 10.875 ( -0.568 9.921 -0.224) 9.940 11.743 ( 0.962 -5.990 2.274) 6.479 11.743 ( 0.962 5.990 2.274) 6.479 11.967 ( 2.335 -12.684 -2.116) 13.070 11.967 ( 2.335 12.684 -2.116) 13.070 12.405 ( -0.451 -4.267 -0.984) 4.402 12.405 ( -0.451 4.267 -0.984) 4.402 12.575 ( 0.789 -8.071 -0.326) 8.116 12.575 ( 0.789 8.071 -0.326) 8.116 13.137 ( -5.373 -7.118 -0.270) 8.923 13.137 ( -5.373 7.118 -0.270) 8.923 13.464 ( -0.210 -2.601 1.524) 3.022 13.464 ( -0.210 2.601 1.524) 3.022 13.613 ( -0.506 -3.646 -0.460) 3.710 13.613 ( -0.506 3.646 -0.460) 3.710 13.861 ( 3.185 -2.503 0.336) 4.065 13.861 ( 3.185 2.503 0.336) 4.065 15.697 ( 1.983 -0.849 -0.050) 2.157 15.697 ( 1.983 0.849 -0.050) 2.157 16.229 ( -2.664 -0.542 -0.060) 2.719 16.229 ( -2.664 0.542 -0.060) 2.719 20.714 ( -2.243 -1.372 0.456) 2.669 20.714 ( -2.243 1.372 0.456) 2.669 20.846 ( 0.261 -1.549 -1.136) 1.939 20.846 ( 0.261 1.549 -1.136) 1.939 21.199 ( 3.404 -1.671 1.264) 3.997 21.199 ( 3.404 1.671 1.264) 3.997 21.643 ( 2.964 -0.808 -0.447) 3.104 21.643 ( 2.964 0.808 -0.447) 3.104 22.064 ( -0.434 -1.605 -0.499) 1.735 22.064 ( -0.434 1.605 -0.499) 1.735 22.138 ( 1.039 -0.735 0.120) 1.278 22.138 ( 1.039 0.735 0.120) 1.278 22.714 ( -1.610 -1.968 3.754) 4.534 22.714 ( -1.610 1.968 3.754) 4.534 22.792 ( -2.466 -2.981 -3.559) 5.257 22.792 ( -2.466 2.981 -3.559) 5.257 23.714 ( -0.652 -0.699 -0.126) 0.964 23.714 ( -0.652 0.699 -0.126) 0.964 23.848 ( -1.398 -0.990 -0.145) 1.719 23.848 ( -1.398 0.990 -0.145) 1.719 23.968 ( 1.736 -2.964 0.122) 3.437 23.968 ( 1.736 2.964 0.122) 3.437 24.014 ( 3.473 -4.026 -0.085) 5.318 24.014 ( 3.473 4.026 -0.085) 5.318 24.462 ( 2.696 -2.683 0.473) 3.833 24.462 ( 2.696 2.683 0.473) 3.833 24.607 ( -0.061 -1.549 -0.495) 1.627 24.607 ( -0.061 1.549 -0.495) 1.627 ======================= Grid point 113 (58/88) ======================= q-point: ( 0.30 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.176 -1.644 -1.013) 2.261 1.062 ( 1.176 1.644 -1.013) 2.261 1.317 ( -3.653 -2.101 -0.029) 4.214 1.317 ( -3.653 2.101 -0.029) 4.214 1.449 ( 3.159 -5.741 2.548) 7.030 1.449 ( 3.159 5.741 2.548) 7.030 1.649 ( 1.168 -6.136 -1.487) 6.421 1.649 ( 1.168 6.136 -1.487) 6.421 1.829 ( -3.749 -3.999 1.133) 5.597 1.829 ( -3.749 3.999 1.133) 5.597 1.931 ( 2.051 -2.385 -3.030) 4.368 1.931 ( 2.051 2.385 -3.030) 4.368 2.148 ( -0.026 -3.932 3.281) 5.122 2.148 ( -0.026 3.932 3.281) 5.122 2.420 ( 3.338 -7.921 -3.700) 9.358 2.420 ( 3.338 7.921 -3.700) 9.358 2.611 ( 8.252 -5.415 0.991) 9.919 2.611 ( 8.252 5.415 0.991) 9.919 2.638 ( 2.220 -8.882 -0.594) 9.174 2.638 ( 2.220 8.882 -0.594) 9.174 3.016 ( 2.302 -1.159 1.594) 3.030 3.016 ( 2.302 1.159 1.594) 3.030 3.193 ( -0.566 -2.737 -0.613) 2.861 3.193 ( -0.566 2.737 -0.613) 2.862 3.378 ( -1.437 -9.463 -1.181) 9.644 3.378 ( -1.437 9.463 -1.181) 9.644 3.573 ( 2.694 -6.585 0.874) 7.168 3.573 ( 2.694 6.585 0.874) 7.168 3.753 ( 3.068 -4.546 -1.192) 5.613 3.753 ( 3.068 4.546 -1.192) 5.613 3.922 ( 3.831 -5.691 -0.376) 6.871 3.922 ( 3.831 5.691 -0.376) 6.871 4.039 ( 1.742 -8.027 1.760) 8.400 4.039 ( 1.742 8.027 1.760) 8.400 4.233 ( -1.615 -0.949 -1.405) 2.341 4.233 ( -1.615 0.949 -1.405) 2.341 4.460 ( 0.298 -2.427 -1.493) 2.865 4.460 ( 0.298 2.427 -1.493) 2.865 4.700 ( 2.844 -4.895 -2.679) 6.263 4.700 ( 2.844 4.895 -2.679) 6.263 5.177 ( -0.844 -3.352 8.455) 9.134 5.177 ( -0.844 3.352 8.455) 9.134 5.376 ( -3.111 -2.570 -0.568) 4.075 5.376 ( -3.111 2.570 -0.568) 4.075 5.507 ( -0.696 -6.410 0.623) 6.477 5.507 ( -0.696 6.410 0.623) 6.477 5.639 ( 0.887 -1.006 -1.127) 1.752 5.639 ( 0.887 1.006 -1.127) 1.752 6.171 ( -1.427 -8.743 0.869) 8.901 6.171 ( -1.427 8.743 0.869) 8.901 6.380 ( 0.526 -5.144 -7.217) 8.878 6.380 ( 0.526 5.144 -7.217) 8.878 6.635 ( -0.840 -15.808 3.793) 16.278 6.635 ( -0.840 15.808 3.793) 16.278 6.877 ( 0.247 -7.512 -1.262) 7.622 6.877 ( 0.247 7.512 -1.262) 7.622 7.128 ( -4.459 -5.908 4.833) 8.840 7.128 ( -4.459 5.908 4.833) 8.840 7.318 ( 0.955 -1.313 -2.163) 2.705 7.318 ( 0.955 1.313 -2.163) 2.705 7.591 ( 0.454 -8.153 -3.756) 8.988 7.591 ( 0.454 8.153 -3.756) 8.988 7.712 ( -2.579 -10.385 5.140) 11.871 7.712 ( -2.579 10.385 5.140) 11.871 7.980 ( -0.327 -3.917 0.999) 4.055 7.980 ( -0.327 3.917 0.999) 4.055 8.213 ( 3.616 -6.323 -9.420) 11.908 8.213 ( 3.616 6.323 -9.420) 11.908 8.564 ( -1.705 -3.811 8.101) 9.113 8.564 ( -1.705 3.811 8.101) 9.113 8.908 ( 1.529 -5.338 -1.964) 5.890 8.908 ( 1.529 5.338 -1.964) 5.890 9.360 ( 0.390 -2.589 -0.024) 2.619 9.360 ( 0.390 2.589 -0.024) 2.619 9.613 ( -5.112 -2.168 0.138) 5.554 9.613 ( -5.112 2.168 0.138) 5.554 10.392 ( 5.747 -2.769 -0.156) 6.382 10.392 ( 5.747 2.769 -0.156) 6.382 10.732 ( 0.489 -4.355 0.174) 4.386 10.732 ( 0.489 4.355 0.174) 4.386 10.790 ( 0.111 -8.770 0.552) 8.788 10.790 ( 0.111 8.770 0.552) 8.788 10.870 ( 0.145 -9.602 -0.363) 9.610 10.870 ( 0.145 9.602 -0.363) 9.610 11.778 ( 0.883 -6.495 2.544) 7.032 11.778 ( 0.883 6.495 2.544) 7.032 11.995 ( 2.990 -10.347 -3.667) 11.377 11.995 ( 2.990 10.347 -3.667) 11.377 12.391 ( -0.278 -7.694 -0.663) 7.727 12.391 ( -0.278 7.694 -0.663) 7.727 12.580 ( -0.324 -6.324 -0.287) 6.339 12.580 ( -0.324 6.324 -0.287) 6.339 13.057 ( -3.683 -4.783 1.420) 6.202 13.057 ( -3.683 4.783 1.420) 6.202 13.458 ( -1.321 -1.230 1.495) 2.344 13.458 ( -1.321 1.230 1.495) 2.344 13.612 ( 0.650 -3.212 -0.670) 3.345 13.612 ( 0.650 3.212 -0.670) 3.345 13.903 ( 1.657 -3.249 -0.763) 3.726 13.903 ( 1.657 3.249 -0.763) 3.726 15.740 ( 2.663 -0.811 0.052) 2.785 15.740 ( 2.663 0.811 0.052) 2.785 16.173 ( -3.384 -0.657 -0.046) 3.448 16.173 ( -3.384 0.657 -0.046) 3.448 20.676 ( -2.157 -1.339 0.548) 2.597 20.676 ( -2.157 1.339 0.548) 2.597 20.843 ( 0.489 -1.527 -1.816) 2.423 20.843 ( 0.489 1.527 -1.816) 2.423 21.268 ( 3.119 -0.738 1.249) 3.440 21.268 ( 3.119 0.738 1.249) 3.440 21.694 ( 2.553 -0.506 0.060) 2.604 21.694 ( 2.553 0.506 0.060) 2.604 22.050 ( -0.382 -1.330 -0.622) 1.517 22.050 ( -0.382 1.330 -0.622) 1.517 22.169 ( 1.715 -0.463 0.687) 1.904 22.169 ( 1.715 0.463 0.687) 1.904 22.679 ( -2.657 -3.164 -2.158) 4.662 22.679 ( -2.657 3.164 -2.158) 4.662 22.743 ( -2.240 -1.658 1.948) 3.400 22.743 ( -2.240 1.658 1.948) 3.400 23.706 ( -0.299 -0.498 0.395) 0.703 23.706 ( -0.299 0.498 0.395) 0.703 23.818 ( -1.656 -1.098 -0.455) 2.038 23.818 ( -1.656 1.098 -0.455) 2.038 23.996 ( 1.235 -4.086 0.194) 4.273 23.996 ( 1.235 4.086 0.194) 4.273 24.076 ( 3.363 -6.226 -0.528) 7.096 24.076 ( 3.363 6.226 -0.528) 7.096 24.517 ( 3.381 -1.462 -0.575) 3.728 24.517 ( 3.381 1.462 -0.575) 3.728 24.608 ( 0.127 -2.135 0.684) 2.245 24.608 ( 0.127 2.135 0.684) 2.245 ======================= Grid point 115 (59/88) ======================= q-point: ( 0.40 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 1.556 -1.637 -0.805) 2.398 1.079 ( 1.556 1.637 -0.805) 2.398 1.260 ( -2.871 -0.133 0.839) 2.994 1.260 ( -2.871 0.133 0.839) 2.994 1.509 ( 2.157 -2.534 1.640) 3.710 1.509 ( 2.157 2.534 1.640) 3.710 1.648 ( -0.228 -5.085 -1.131) 5.214 1.648 ( -0.228 5.085 -1.131) 5.214 1.758 ( -4.230 -4.750 1.374) 6.507 1.758 ( -4.230 4.750 1.374) 6.507 1.930 ( 0.245 -1.220 -2.463) 2.760 1.930 ( 0.245 1.220 -2.463) 2.760 2.197 ( 2.458 -4.209 3.085) 5.769 2.197 ( 2.458 4.209 3.085) 5.769 2.437 ( 1.357 -6.012 -2.838) 6.785 2.437 ( 1.357 6.012 -2.838) 6.785 2.686 ( 2.842 -8.483 1.162) 9.022 2.686 ( 2.842 8.483 1.162) 9.022 2.750 ( 5.564 -8.485 0.313) 10.151 2.750 ( 5.564 8.485 0.313) 10.151 3.031 ( -1.501 -4.178 0.616) 4.482 3.031 ( -1.501 4.178 0.616) 4.482 3.206 ( 1.080 -0.359 2.302) 2.568 3.206 ( 1.080 0.359 2.302) 2.568 3.358 ( 0.029 -8.769 -0.613) 8.790 3.358 ( 0.030 8.769 -0.613) 8.790 3.602 ( 0.561 -9.315 -0.517) 9.346 3.602 ( 0.561 9.315 -0.517) 9.347 3.809 ( 3.988 -9.224 -3.834) 10.756 3.809 ( 3.988 9.224 -3.834) 10.756 3.974 ( 3.073 -3.800 -2.623) 5.547 3.974 ( 3.073 3.800 -2.623) 5.547 4.089 ( -0.409 -2.416 2.065) 3.204 4.089 ( -0.409 2.416 2.065) 3.204 4.214 ( 3.051 -6.165 -0.199) 6.882 4.214 ( 3.051 6.165 -0.199) 6.882 4.443 ( -1.726 -2.814 0.200) 3.307 4.443 ( -1.726 2.814 0.200) 3.307 4.725 ( 2.678 -6.235 -4.838) 8.334 4.725 ( 2.678 6.235 -4.838) 8.334 5.211 ( -2.383 -2.085 8.022) 8.625 5.211 ( -2.383 2.085 8.022) 8.625 5.321 ( -2.380 -2.908 1.328) 3.986 5.321 ( -2.380 2.908 1.328) 3.986 5.493 ( -1.295 -3.817 0.722) 4.095 5.493 ( -1.295 3.817 0.722) 4.095 5.637 ( -0.039 -1.807 -1.068) 2.099 5.637 ( -0.039 1.807 -1.068) 2.099 6.133 ( -2.024 -6.259 -1.685) 6.791 6.133 ( -2.024 6.260 -1.685) 6.791 6.356 ( 2.047 -5.588 -5.893) 8.376 6.356 ( 2.047 5.588 -5.893) 8.376 6.652 ( -0.215 -15.593 3.074) 15.895 6.652 ( -0.215 15.593 3.074) 15.895 6.866 ( -1.918 -8.392 3.010) 9.119 6.866 ( -1.918 8.392 3.010) 9.119 7.108 ( -0.798 -4.889 2.653) 5.619 7.108 ( -0.798 4.889 2.653) 5.619 7.316 ( 0.738 -4.628 -3.155) 5.649 7.316 ( 0.738 4.628 -3.155) 5.649 7.578 ( 0.883 -7.995 -3.521) 8.781 7.578 ( 0.883 7.995 -3.521) 8.781 7.711 ( -2.024 -10.200 6.272) 12.144 7.711 ( -2.024 10.200 6.272) 12.144 7.968 ( -1.285 -2.482 0.058) 2.795 7.968 ( -1.285 2.482 0.058) 2.795 8.205 ( 3.213 -5.634 -10.060) 11.970 8.205 ( 3.213 5.634 -10.060) 11.970 8.598 ( -1.381 -2.026 8.714) 9.053 8.598 ( -1.381 2.026 8.714) 9.053 8.915 ( 0.928 -4.734 -2.065) 5.247 8.915 ( 0.928 4.734 -2.065) 5.247 9.369 ( 0.467 -1.972 0.374) 2.061 9.369 ( 0.467 1.972 0.374) 2.061 9.539 ( -2.951 -1.330 -0.343) 3.255 9.539 ( -2.951 1.330 -0.343) 3.255 10.473 ( 3.286 -2.030 -0.075) 3.863 10.473 ( 3.286 2.030 -0.075) 3.863 10.727 ( -1.127 -1.308 0.799) 1.902 10.727 ( -1.127 1.308 0.799) 1.902 10.807 ( 1.289 -8.034 0.061) 8.137 10.807 ( 1.289 8.034 0.061) 8.137 10.870 ( 0.112 -8.231 -0.454) 8.245 10.870 ( 0.112 8.231 -0.454) 8.245 11.805 ( -0.243 -5.064 2.971) 5.876 11.805 ( -0.243 5.064 2.971) 5.876 12.018 ( 2.916 -6.057 -4.935) 8.339 12.018 ( 2.916 6.057 -4.935) 8.339 12.390 ( 0.531 -10.672 0.140) 10.686 12.390 ( 0.531 10.672 0.140) 10.686 12.556 ( -1.352 -7.421 -2.017) 7.808 12.556 ( -1.352 7.421 -2.017) 7.808 13.030 ( -1.516 -2.842 3.829) 5.004 13.030 ( -1.516 2.842 3.829) 5.004 13.445 ( -1.093 -1.389 1.082) 2.072 13.445 ( -1.093 1.389 1.082) 2.072 13.621 ( 0.533 -2.412 -0.053) 2.471 13.621 ( 0.533 2.412 -0.053) 2.471 13.912 ( 0.590 -4.268 -1.855) 4.691 13.912 ( 0.590 4.268 -1.855) 4.691 15.788 ( 2.350 -0.705 0.132) 2.457 15.788 ( 2.350 0.705 0.132) 2.457 16.114 ( -2.811 -0.526 -0.035) 2.860 16.114 ( -2.811 0.526 -0.035) 2.860 20.651 ( -1.222 -1.180 1.164) 2.059 20.651 ( -1.222 1.180 1.164) 2.059 20.836 ( 0.405 -1.525 -2.644) 3.080 20.836 ( 0.405 1.525 -2.644) 3.080 21.323 ( 1.824 -0.074 1.365) 2.279 21.323 ( 1.824 0.074 1.365) 2.279 21.729 ( 1.237 -0.336 0.069) 1.283 21.729 ( 1.237 0.336 0.069) 1.283 22.047 ( 0.111 -1.380 0.499) 1.472 22.047 ( 0.111 1.380 0.499) 1.472 22.196 ( 1.013 -0.354 -0.915) 1.410 22.196 ( 1.013 0.354 -0.915) 1.410 22.628 ( -0.912 -3.024 -1.262) 3.402 22.628 ( -0.912 3.024 -1.262) 3.402 22.716 ( -2.426 -1.339 1.493) 3.148 22.716 ( -2.426 1.339 1.493) 3.148 23.709 ( 0.062 -0.368 0.857) 0.935 23.709 ( 0.062 0.368 0.857) 0.935 23.787 ( -1.178 -0.973 -0.569) 1.631 23.787 ( -1.178 0.973 -0.569) 1.631 24.014 ( 0.617 -4.211 0.416) 4.276 24.014 ( 0.617 4.211 0.416) 4.276 24.119 ( 1.959 -6.005 -1.023) 6.399 24.119 ( 1.959 6.005 -1.023) 6.399 24.570 ( 3.001 -6.687 -1.036) 7.403 24.570 ( 3.001 6.687 -1.036) 7.403 24.615 ( -0.417 -7.885 1.159) 7.981 24.615 ( -0.417 7.885 1.159) 7.981 ======================= Grid point 117 (60/88) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.933 -2.192 -0.330) 2.405 1.101 ( 0.933 2.192 -0.330) 2.405 1.232 ( -0.520 -1.125 0.728) 1.437 1.232 ( -0.520 1.125 0.728) 1.437 1.551 ( 0.521 -0.571 2.299) 2.425 1.551 ( 0.521 0.571 2.299) 2.425 1.629 ( -0.577 -2.362 -0.846) 2.574 1.629 ( -0.577 2.362 -0.846) 2.574 1.719 ( -0.872 -4.464 1.124) 4.685 1.719 ( -0.872 4.464 1.124) 4.685 1.915 ( 0.258 -3.081 -2.595) 4.037 1.915 ( 0.258 3.081 -2.595) 4.037 2.257 ( 0.648 -3.475 3.909) 5.270 2.257 ( 0.648 3.475 3.909) 5.270 2.438 ( 0.896 -5.279 -2.110) 5.755 2.438 ( 0.896 5.279 -2.110) 5.755 2.730 ( 0.101 -10.047 1.759) 10.201 2.730 ( 0.101 10.047 1.759) 10.201 2.805 ( 1.042 -10.440 -0.348) 10.498 2.805 ( 1.042 10.440 -0.348) 10.498 3.004 ( -1.116 -2.926 0.261) 3.143 3.004 ( -1.116 2.926 0.261) 3.143 3.236 ( -0.187 -2.133 2.964) 3.657 3.236 ( -0.187 2.134 2.964) 3.657 3.362 ( 0.215 -8.867 0.082) 8.870 3.362 ( 0.215 8.867 0.082) 8.870 3.594 ( -0.767 -10.646 -0.865) 10.708 3.594 ( -0.767 10.646 -0.865) 10.708 3.801 ( -0.767 -8.479 -7.494) 11.342 3.801 ( -0.767 8.479 -7.494) 11.342 3.984 ( 0.024 -5.241 -2.076) 5.637 3.984 ( 0.024 5.241 -2.076) 5.637 4.082 ( -0.486 -6.114 2.579) 6.653 4.082 ( -0.486 6.114 2.579) 6.653 4.319 ( 5.630 -6.831 -0.765) 8.885 4.319 ( 5.630 6.831 -0.765) 8.885 4.404 ( -2.504 -1.705 2.111) 3.692 4.404 ( -2.504 1.705 2.111) 3.692 4.716 ( 0.251 -6.131 -5.730) 8.396 4.716 ( 0.251 6.131 -5.730) 8.396 5.204 ( -2.658 -0.334 5.651) 6.254 5.204 ( -2.658 0.334 5.651) 6.254 5.325 ( -0.388 -2.233 4.541) 5.075 5.325 ( -0.388 2.233 4.541) 5.075 5.477 ( -0.621 -1.717 0.422) 1.873 5.477 ( -0.621 1.717 0.422) 1.873 5.632 ( 0.462 -1.746 -1.180) 2.158 5.632 ( 0.462 1.746 -1.180) 2.158 6.096 ( 0.232 -2.755 -3.063) 4.127 6.096 ( 0.232 2.755 -3.063) 4.127 6.359 ( 2.027 -8.271 -4.500) 9.632 6.359 ( 2.027 8.271 -4.500) 9.632 6.666 ( -0.400 -13.883 2.139) 14.052 6.666 ( -0.400 13.883 2.139) 14.052 6.864 ( -1.215 -9.415 4.938) 10.700 6.864 ( -1.215 9.415 4.938) 10.700 7.129 ( 0.932 -3.334 2.466) 4.250 7.129 ( 0.932 3.334 2.466) 4.250 7.297 ( -0.069 -6.725 -3.906) 7.777 7.297 ( -0.069 6.725 -3.906) 7.777 7.567 ( 0.486 -7.228 -3.428) 8.014 7.567 ( 0.486 7.228 -3.428) 8.014 7.730 ( -1.374 -10.580 7.336) 12.947 7.730 ( -1.374 10.580 7.336) 12.947 7.942 ( -0.774 -1.162 -1.504) 2.052 7.942 ( -0.774 1.162 -1.504) 2.052 8.189 ( 2.973 -4.762 -9.622) 11.140 8.189 ( 2.973 4.762 -9.622) 11.140 8.630 ( -2.151 -1.246 8.665) 9.014 8.630 ( -2.151 1.246 8.665) 9.014 8.913 ( 0.570 -4.323 -2.331) 4.945 8.913 ( 0.570 4.323 -2.331) 4.945 9.379 ( 0.072 -0.505 0.631) 0.811 9.379 ( 0.072 0.505 0.631) 0.811 9.507 ( -0.057 -0.205 -0.680) 0.713 9.507 ( -0.057 0.205 -0.680) 0.713 10.504 ( 0.104 -0.443 -0.052) 0.458 10.504 ( 0.104 0.443 -0.052) 0.458 10.714 ( -0.735 -2.152 0.843) 2.425 10.714 ( -0.735 2.152 0.843) 2.425 10.829 ( 0.835 -7.592 0.326) 7.644 10.829 ( 0.835 7.592 0.326) 7.644 10.865 ( -0.224 -7.752 -0.762) 7.792 10.865 ( -0.224 7.752 -0.762) 7.792 11.808 ( -1.791 -2.407 3.073) 4.295 11.808 ( -1.791 2.407 3.073) 4.295 12.024 ( 1.722 -6.677 -5.305) 8.700 12.024 ( 1.722 6.677 -5.305) 8.700 12.413 ( 1.331 -12.175 1.216) 12.308 12.413 ( 1.331 12.175 1.216) 12.308 12.515 ( -0.664 -10.127 -3.361) 10.691 12.515 ( -0.664 10.127 -3.361) 10.691 13.049 ( 0.109 -3.557 4.629) 5.838 13.049 ( 0.109 3.557 4.629) 5.838 13.438 ( -0.434 -1.362 1.004) 1.747 13.438 ( -0.434 1.362 1.004) 1.747 13.624 ( -0.471 -2.209 0.255) 2.273 13.624 ( -0.471 2.209 0.255) 2.273 13.904 ( 0.323 -5.403 -2.386) 5.915 13.904 ( 0.323 5.403 -2.386) 5.915 15.813 ( -0.013 -0.656 0.168) 0.677 15.813 ( -0.013 0.656 0.168) 0.677 16.086 ( 0.028 -0.044 -0.040) 0.066 16.086 ( 0.028 0.044 -0.040) 0.066 20.650 ( -0.026 -0.909 1.787) 2.005 20.650 ( -0.026 0.909 1.787) 2.005 20.821 ( 0.282 -1.543 -3.271) 3.628 20.821 ( 0.282 1.543 -3.271) 3.628 21.348 ( -0.250 -0.538 1.436) 1.554 21.348 ( -0.250 0.538 1.436) 1.554 21.739 ( -0.042 -0.413 -0.012) 0.415 21.739 ( -0.042 0.413 -0.012) 0.415 22.062 ( 0.761 -1.243 1.590) 2.157 22.062 ( 0.761 1.243 1.590) 2.157 22.184 ( -0.937 -0.550 -2.592) 2.810 22.184 ( -0.937 0.550 -2.592) 2.810 22.638 ( 1.605 -2.264 1.080) 2.978 22.638 ( 1.605 2.264 1.080) 2.978 22.680 ( -1.415 -1.162 -0.342) 1.863 22.680 ( -1.415 1.162 -0.342) 1.863 23.715 ( -0.242 -0.340 1.023) 1.105 23.715 ( -0.242 0.340 1.023) 1.105 23.774 ( 0.283 -0.665 -0.558) 0.913 23.774 ( 0.283 0.665 -0.558) 0.913 24.023 ( -0.018 -4.127 0.594) 4.170 24.023 ( -0.018 4.127 0.594) 4.170 24.131 ( 0.309 -5.481 -1.286) 5.639 24.131 ( 0.309 5.481 -1.286) 5.639 24.591 ( -1.292 -3.855 -0.274) 4.075 24.591 ( -1.292 3.855 -0.274) 4.075 24.618 ( 1.134 -4.610 0.391) 4.763 24.618 ( 1.134 4.610 0.391) 4.763 ======================= Grid point 119 (61/88) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -1.554 -2.294 -0.893) 2.911 1.091 ( -1.554 2.294 -0.893) 2.911 1.258 ( 2.386 -1.415 0.668) 2.854 1.258 ( 2.386 1.415 0.668) 2.854 1.540 ( -3.323 -2.158 3.187) 5.085 1.540 ( -3.323 2.158 3.187) 5.085 1.630 ( 0.958 -1.645 -2.001) 2.762 1.630 ( 0.958 1.645 -2.001) 2.762 1.744 ( 2.902 -4.227 0.593) 5.162 1.744 ( 2.902 4.227 0.593) 5.162 1.907 ( 0.618 -3.050 -1.625) 3.511 1.907 ( 0.618 3.050 -1.625) 3.511 2.247 ( -4.617 -1.015 2.551) 5.372 2.247 ( -4.617 1.015 2.551) 5.372 2.439 ( 0.941 -7.979 -3.053) 8.595 2.439 ( 0.941 7.979 -3.053) 8.595 2.697 ( -3.989 -9.692 0.795) 10.511 2.697 ( -3.989 9.692 0.795) 10.511 2.803 ( -2.484 -5.507 1.295) 6.178 2.803 ( -2.484 5.507 1.295) 6.179 3.011 ( 1.774 -3.575 1.632) 4.311 3.011 ( 1.774 3.575 1.632) 4.311 3.235 ( -1.278 -1.410 -0.224) 1.916 3.235 ( -1.278 1.410 -0.223) 1.916 3.357 ( -1.042 -11.526 0.884) 11.606 3.357 ( -1.042 11.526 0.884) 11.606 3.575 ( -0.877 -10.619 0.754) 10.682 3.575 ( -0.877 10.619 0.754) 10.682 3.708 ( -3.282 -5.857 -5.579) 8.729 3.708 ( -3.282 5.857 -5.579) 8.729 3.956 ( -2.006 -4.149 -1.468) 4.837 3.956 ( -2.006 4.149 -1.468) 4.837 4.092 ( -0.041 -7.091 0.452) 7.106 4.092 ( -0.041 7.091 0.452) 7.106 4.309 ( -3.241 -6.279 0.090) 7.067 4.309 ( -3.241 6.279 0.090) 7.067 4.450 ( 2.542 -2.442 2.438) 4.286 4.450 ( 2.542 2.442 2.438) 4.286 4.665 ( -0.377 -7.064 -6.349) 9.505 4.665 ( -0.377 7.064 -6.349) 9.505 5.213 ( -1.213 -0.466 5.170) 5.330 5.213 ( -1.213 0.466 5.170) 5.330 5.347 ( -0.757 -3.005 4.614) 5.558 5.347 ( -0.757 3.005 4.614) 5.558 5.486 ( 1.155 -3.496 0.622) 3.734 5.486 ( 1.155 3.496 0.622) 3.734 5.633 ( 0.609 -2.176 -1.901) 2.953 5.633 ( 0.609 2.176 -1.901) 2.953 6.105 ( 2.770 -3.830 -2.172) 5.202 6.105 ( 2.770 3.830 -2.172) 5.202 6.360 ( 1.558 -10.910 -4.234) 11.806 6.360 ( 1.558 10.910 -4.234) 11.806 6.666 ( -0.810 -11.350 1.019) 11.424 6.666 ( -0.810 11.350 1.019) 11.424 6.892 ( 0.199 -10.336 4.947) 11.460 6.892 ( 0.199 10.336 4.947) 11.460 7.169 ( 1.398 -1.816 2.342) 3.277 7.169 ( 1.398 1.816 2.342) 3.277 7.264 ( -0.402 -7.188 -3.023) 7.808 7.264 ( -0.402 7.188 -3.023) 7.808 7.548 ( 0.329 -6.855 -3.691) 7.792 7.548 ( 0.329 6.855 -3.691) 7.792 7.755 ( -1.883 -10.803 6.871) 12.941 7.755 ( -1.883 10.803 6.871) 12.941 7.931 ( 1.060 -3.943 -1.428) 4.326 7.931 ( 1.060 3.943 -1.428) 4.326 8.178 ( 3.120 -4.483 -8.676) 10.252 8.178 ( 3.120 4.483 -8.676) 10.252 8.639 ( -3.467 -2.986 7.981) 9.200 8.639 ( -3.467 2.986 7.981) 9.200 8.904 ( 0.397 -5.096 -2.455) 5.671 8.904 ( 0.397 5.096 -2.455) 5.671 9.379 ( -0.405 -1.089 0.357) 1.216 9.379 ( -0.405 1.089 0.357) 1.216 9.530 ( 3.023 -1.554 -0.348) 3.417 9.530 ( 3.023 1.554 -0.348) 3.417 10.475 ( -3.181 -1.489 -0.076) 3.513 10.475 ( -3.181 1.489 -0.076) 3.513 10.714 ( 0.073 -4.049 0.663) 4.103 10.714 ( 0.073 4.049 0.663) 4.103 10.835 ( -0.951 -6.291 0.936) 6.431 10.835 ( -0.951 6.291 0.936) 6.431 10.857 ( 0.481 -7.112 -1.185) 7.226 10.857 ( 0.481 7.112 -1.185) 7.226 11.785 ( -2.957 -1.569 2.762) 4.339 11.785 ( -2.957 1.569 2.762) 4.339 12.006 ( 0.376 -10.938 -4.702) 11.912 12.006 ( 0.376 10.938 -4.702) 11.912 12.438 ( -0.178 -2.577 1.163) 2.833 12.438 ( -0.178 2.577 1.163) 2.833 12.504 ( 2.487 -8.579 -2.648) 9.317 12.504 ( 2.487 8.579 -2.648) 9.317 13.093 ( 1.386 -3.815 3.429) 5.314 13.093 ( 1.386 3.815 3.429) 5.314 13.444 ( 0.126 -1.123 1.470) 1.854 13.444 ( 0.126 1.123 1.470) 1.854 13.606 ( -1.447 -1.764 -0.372) 2.312 13.606 ( -1.447 1.764 -0.372) 2.312 13.892 ( -0.013 -5.867 -1.944) 6.180 13.892 ( -0.013 5.867 -1.944) 6.180 15.789 ( -2.365 -1.106 0.131) 2.614 15.789 ( -2.365 1.106 0.131) 2.614 16.115 ( 2.865 -0.572 -0.034) 2.922 16.115 ( 2.865 0.572 -0.034) 2.922 20.672 ( 0.873 -0.518 1.844) 2.105 20.672 ( 0.873 0.518 1.844) 2.105 20.802 ( 0.336 -1.318 -3.261) 3.534 20.802 ( 0.336 1.318 -3.261) 3.534 21.333 ( -2.473 -1.262 1.316) 3.072 21.333 ( -2.473 1.262 1.316) 3.072 21.729 ( -1.101 -0.478 0.037) 1.201 21.729 ( -1.101 0.478 0.037) 1.201 22.096 ( 1.336 -0.992 2.384) 2.907 22.096 ( 1.336 0.992 2.384) 2.907 22.137 ( -1.872 -1.093 -2.773) 3.520 22.137 ( -1.872 1.093 -2.773) 3.520 22.629 ( -1.339 -2.116 -1.147) 2.755 22.629 ( -1.339 2.116 -1.147) 2.755 22.724 ( 4.256 -2.431 1.368) 5.089 22.724 ( 4.256 2.431 1.368) 5.089 23.716 ( -0.296 -0.145 0.929) 0.986 23.716 ( -0.296 0.145 0.929) 0.986 23.786 ( 1.376 -0.596 -0.648) 1.633 23.786 ( 1.376 0.596 -0.648) 1.633 24.022 ( -0.690 -4.266 0.574) 4.359 24.022 ( -0.690 4.266 0.574) 4.359 24.112 ( -1.423 -5.424 -1.188) 5.732 24.112 ( -1.423 5.424 -1.188) 5.732 24.542 ( -3.388 -8.146 -0.408) 8.832 24.542 ( -3.388 8.146 -0.408) 8.832 24.639 ( 0.601 -8.004 0.545) 8.045 24.639 ( 0.601 8.004 0.545) 8.045 ======================= Grid point 121 (62/88) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -3.153 -3.118 -1.326) 4.628 1.040 ( -3.153 3.118 -1.326) 4.628 1.300 ( 1.134 -3.369 0.716) 3.627 1.300 ( 1.134 3.369 0.716) 3.627 1.506 ( -2.880 -5.567 3.482) 7.170 1.506 ( -2.880 5.567 3.482) 7.170 1.617 ( -0.349 -0.616 -2.785) 2.874 1.617 ( -0.349 0.616 -2.785) 2.874 1.814 ( 3.739 -4.094 0.069) 5.544 1.814 ( 3.739 4.094 0.069) 5.544 1.905 ( -0.101 -2.322 -1.260) 2.644 1.905 ( -0.101 2.322 -1.260) 2.644 2.149 ( -6.921 -2.005 2.592) 7.657 2.149 ( -6.921 2.005 2.592) 7.657 2.420 ( -0.645 -6.632 -3.702) 7.622 2.420 ( -0.645 6.632 -3.702) 7.622 2.619 ( -5.095 -9.406 0.434) 10.706 2.619 ( -5.095 9.406 0.434) 10.706 2.740 ( -3.718 -8.552 -0.345) 9.331 2.740 ( -3.718 8.552 -0.345) 9.332 3.063 ( -0.295 -0.973 4.065) 4.191 3.063 ( -0.295 0.973 4.065) 4.191 3.197 ( 0.081 -3.562 -4.311) 5.592 3.197 ( 0.081 3.562 -4.311) 5.592 3.346 ( -0.397 -12.653 0.144) 12.660 3.346 ( -0.397 12.653 0.144) 12.660 3.576 ( -1.043 -7.296 2.780) 7.877 3.576 ( -1.043 7.296 2.780) 7.877 3.631 ( -1.026 -6.876 -2.821) 7.503 3.631 ( -1.026 6.876 -2.821) 7.503 3.896 ( -3.545 -2.599 -0.178) 4.399 3.896 ( -3.545 2.599 -0.178) 4.399 4.081 ( -1.479 -7.114 0.473) 7.281 4.081 ( -1.479 7.114 0.473) 7.281 4.272 ( -0.452 -7.124 -0.241) 7.142 4.272 ( -0.452 7.124 -0.241) 7.142 4.478 ( -0.015 -2.215 -0.056) 2.215 4.478 ( -0.015 2.215 -0.056) 2.215 4.628 ( 0.036 -6.437 -3.739) 7.444 4.628 ( 0.036 6.437 -3.739) 7.444 5.210 ( -3.918 -3.060 6.313) 8.035 5.210 ( -3.918 3.060 6.313) 8.035 5.372 ( 0.964 -6.384 2.036) 6.770 5.372 ( 0.964 6.384 2.036) 6.770 5.514 ( 0.662 -4.509 0.950) 4.655 5.514 ( 0.662 4.509 0.950) 4.655 5.627 ( 0.953 -3.109 -2.720) 4.240 5.627 ( 0.953 3.109 -2.720) 4.240 6.151 ( 2.537 -7.756 0.354) 8.168 6.151 ( 2.537 7.756 0.354) 8.168 6.359 ( 2.018 -11.815 -4.517) 12.808 6.359 ( 2.018 11.815 -4.517) 12.808 6.655 ( -0.594 -8.701 0.109) 8.722 6.655 ( -0.594 8.701 0.109) 8.722 6.923 ( -0.384 -11.247 2.588) 11.547 6.923 ( -0.384 11.247 2.588) 11.547 7.188 ( 0.225 -4.293 -1.518) 4.559 7.188 ( 0.225 4.293 -1.518) 4.559 7.274 ( 1.344 -5.913 4.152) 7.349 7.274 ( 1.344 5.913 4.152) 7.349 7.533 ( 1.693 -6.697 -5.041) 8.551 7.533 ( 1.693 6.697 -5.041) 8.551 7.753 ( -2.556 -10.038 4.434) 11.268 7.753 ( -2.556 10.038 4.434) 11.268 7.963 ( 2.371 -5.782 0.965) 6.324 7.963 ( 2.371 5.782 0.965) 6.324 8.176 ( 3.108 -5.179 -8.007) 10.030 8.176 ( 3.108 5.179 -8.007) 10.030 8.622 ( -4.316 -4.162 7.065) 9.266 8.622 ( -4.316 4.162 7.065) 9.266 8.891 ( 0.095 -5.649 -2.421) 6.146 8.891 ( 0.095 5.649 -2.421) 6.146 9.373 ( -0.191 -1.648 -0.100) 1.662 9.373 ( -0.191 1.648 -0.100) 1.662 9.605 ( 5.278 -2.545 0.183) 5.863 9.605 ( 5.278 2.545 0.183) 5.863 10.393 ( -5.720 -2.579 -0.153) 6.276 10.393 ( -5.720 2.579 -0.153) 6.276 10.720 ( -0.049 -4.721 0.178) 4.725 10.720 ( -0.049 4.721 0.178) 4.725 10.815 ( -1.587 -3.113 0.808) 3.586 10.815 ( -1.587 3.113 0.808) 3.586 10.864 ( 0.899 -3.906 -0.616) 4.056 10.864 ( 0.899 3.906 -0.616) 4.056 11.746 ( -3.196 -1.939 2.198) 4.337 11.746 ( -3.196 1.939 2.198) 4.337 11.976 ( -0.424 -12.637 -3.288) 13.065 11.976 ( -0.424 12.637 -3.288) 13.065 12.432 ( -0.251 -7.589 -0.524) 7.611 12.432 ( -0.251 7.589 -0.524) 7.611 12.551 ( 3.101 -13.821 -0.317) 14.168 12.551 ( 3.101 13.821 -0.317) 14.168 13.145 ( 2.613 -3.543 1.097) 4.537 13.145 ( 2.613 3.543 1.097) 4.537 13.462 ( 0.008 -3.003 2.774) 4.088 13.462 ( 0.008 3.003 2.774) 4.088 13.572 ( -1.216 -0.375 -1.740) 2.156 13.572 ( -1.216 0.375 -1.740) 2.156 13.872 ( -1.195 -5.253 -0.799) 5.446 13.872 ( -1.195 5.253 -0.799) 5.446 15.743 ( -2.656 -1.403 0.051) 3.004 15.743 ( -2.656 1.403 0.051) 3.004 16.174 ( 3.415 -0.691 -0.046) 3.484 16.174 ( 3.415 0.691 -0.046) 3.484 20.704 ( 1.325 -0.674 1.398) 2.041 20.704 ( 1.325 0.674 1.398) 2.041 20.789 ( 0.565 -0.836 -2.552) 2.744 20.789 ( 0.565 0.836 -2.552) 2.744 21.282 ( -4.020 -2.230 1.138) 4.736 21.282 ( -4.020 2.230 1.138) 4.736 21.702 ( -1.894 -0.290 0.049) 1.917 21.702 ( -1.894 0.290 0.049) 1.917 22.083 ( -2.116 -2.064 -1.261) 3.214 22.083 ( -2.116 2.064 -1.261) 3.214 22.142 ( 1.941 -0.834 1.346) 2.505 22.142 ( 1.941 0.834 1.346) 2.505 22.606 ( -0.353 -2.665 -0.811) 2.808 22.606 ( -0.353 2.665 -0.811) 2.808 22.810 ( 4.225 -2.382 0.587) 4.886 22.810 ( 4.225 2.382 0.587) 4.886 23.719 ( 0.024 -0.494 0.473) 0.684 23.719 ( 0.024 0.494 0.473) 0.684 23.811 ( 1.756 -0.650 -0.530) 1.946 23.811 ( 1.756 0.650 -0.530) 1.946 24.006 ( -1.384 -4.704 0.347) 4.915 24.006 ( -1.384 4.704 0.347) 4.915 24.065 ( -2.974 -5.762 -0.697) 6.522 24.065 ( -2.974 5.762 -0.697) 6.522 24.476 ( -3.405 -6.878 -0.253) 7.679 24.476 ( -3.405 6.878 -0.253) 7.679 24.647 ( -0.043 -7.273 0.374) 7.283 24.647 ( -0.043 7.273 0.374) 7.283 ======================= Grid point 123 (63/88) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -3.921 -3.928 0.322) 5.559 0.968 ( -3.921 3.928 0.322) 5.559 1.304 ( -1.924 -4.838 2.259) 5.675 1.304 ( -1.924 4.838 2.259) 5.675 1.460 ( -4.694 -6.427 0.609) 7.982 1.460 ( -4.694 6.427 0.609) 7.982 1.602 ( 0.896 -0.479 -1.117) 1.510 1.602 ( 0.896 0.479 -1.117) 1.510 1.824 ( -2.298 -4.956 -1.907) 5.786 1.824 ( -2.298 4.956 -1.907) 5.786 1.901 ( 0.114 -4.032 0.809) 4.114 1.901 ( 0.114 4.032 0.809) 4.114 2.091 ( -1.503 -2.167 3.660) 4.511 2.091 ( -1.503 2.167 3.660) 4.511 2.352 ( -4.480 -1.618 -1.853) 5.111 2.352 ( -4.480 1.618 -1.853) 5.111 2.544 ( -2.509 -7.506 -0.442) 7.927 2.544 ( -2.509 7.506 -0.442) 7.927 2.683 ( -1.276 -11.120 -3.395) 11.696 2.683 ( -1.276 11.120 -3.395) 11.697 3.029 ( -4.543 -2.714 1.656) 5.546 3.029 ( -4.543 2.714 1.656) 5.546 3.198 ( 2.369 -5.143 -3.220) 6.514 3.198 ( 2.369 5.143 -3.220) 6.514 3.347 ( 0.936 -12.146 -1.884) 12.327 3.347 ( 0.936 12.146 -1.884) 12.327 3.568 ( -0.498 -4.210 0.954) 4.345 3.568 ( -0.498 4.210 0.954) 4.345 3.641 ( 1.325 -8.194 2.034) 8.546 3.641 ( 1.325 8.194 2.034) 8.546 3.843 ( -2.100 -2.934 0.356) 3.626 3.843 ( -2.100 2.934 0.356) 3.626 4.060 ( -1.309 -5.267 1.879) 5.743 4.060 ( -1.309 5.267 1.879) 5.743 4.274 ( 0.748 -3.842 -1.879) 4.342 4.274 ( 0.748 3.842 -1.879) 4.342 4.475 ( 0.985 -4.817 -1.618) 5.177 4.475 ( 0.985 4.817 -1.618) 5.177 4.596 ( -2.016 -4.491 -0.797) 4.987 4.596 ( -2.016 4.491 -0.797) 4.987 5.166 ( -6.403 -5.500 7.859) 11.533 5.166 ( -6.403 5.500 7.859) 11.533 5.399 ( 1.052 -9.253 -0.620) 9.334 5.399 ( 1.052 9.253 -0.620) 9.334 5.514 ( -0.334 -4.818 -0.249) 4.836 5.514 ( -0.334 4.818 -0.249) 4.836 5.638 ( 1.970 -5.028 -2.231) 5.843 5.638 ( 1.970 5.028 -2.231) 5.843 6.186 ( 0.006 -8.061 2.249) 8.369 6.186 ( 0.006 8.061 2.249) 8.369 6.376 ( 3.321 -9.818 -4.074) 11.136 6.376 ( 3.321 9.818 -4.074) 11.136 6.651 ( 0.166 -6.922 -0.270) 6.929 6.651 ( 0.166 6.922 -0.270) 6.929 6.908 ( -1.627 -11.546 -0.847) 11.691 6.908 ( -1.627 11.546 -0.847) 11.691 7.184 ( 0.274 -4.858 -0.166) 4.869 7.184 ( 0.274 4.858 -0.166) 4.869 7.332 ( -0.608 -3.903 7.825) 8.766 7.332 ( -0.608 3.903 7.825) 8.766 7.549 ( 5.069 -5.597 -6.784) 10.151 7.549 ( 5.069 5.597 -6.784) 10.151 7.737 ( -2.075 -8.830 3.410) 9.690 7.737 ( -2.075 8.830 3.410) 9.690 8.015 ( 2.173 -6.186 1.109) 6.650 8.015 ( 2.173 6.186 1.109) 6.650 8.172 ( 2.532 -5.756 -7.633) 9.890 8.172 ( 2.532 5.756 -7.633) 9.890 8.591 ( -4.312 -4.604 6.649) 9.165 8.591 ( -4.312 4.604 6.649) 9.165 8.873 ( -0.199 -5.226 -2.516) 5.803 8.873 ( -0.199 5.226 -2.516) 5.803 9.372 ( 0.330 -1.303 -0.538) 1.448 9.372 ( 0.330 1.303 -0.538) 1.448 9.716 ( 6.658 -3.212 0.452) 7.407 9.716 ( 6.658 3.212 0.452) 7.407 10.274 ( -7.307 -3.282 -0.236) 8.014 10.274 ( -7.307 3.282 -0.236) 8.014 10.708 ( -1.242 -3.594 -0.214) 3.808 10.708 ( -1.242 3.594 -0.214) 3.808 10.800 ( -0.587 -4.122 0.595) 4.205 10.800 ( -0.587 4.122 0.595) 4.205 10.879 ( 1.010 -4.665 -0.238) 4.779 10.879 ( 1.010 4.665 -0.238) 4.779 11.709 ( -2.409 -1.974 1.865) 3.630 11.709 ( -2.409 1.974 1.865) 3.630 11.947 ( -0.796 -12.831 -1.642) 12.960 11.947 ( -0.796 12.831 -1.642) 12.960 12.427 ( 0.322 -8.706 -0.905) 8.758 12.427 ( 0.322 8.706 -0.905) 8.758 12.595 ( 1.795 -15.390 -0.486) 15.502 12.595 ( 1.795 15.390 -0.486) 15.502 13.204 ( 3.993 -2.781 -0.831) 4.936 13.204 ( 3.993 2.781 -0.831) 4.936 13.467 ( -2.585 -4.658 3.433) 6.337 13.467 ( -2.585 4.658 3.433) 6.337 13.558 ( 1.722 -1.884 -1.795) 3.121 13.558 ( 1.722 1.884 -1.795) 3.121 13.835 ( -2.759 -3.804 0.335) 4.711 13.835 ( -2.759 3.804 0.335) 4.711 15.701 ( -1.970 -1.533 -0.049) 2.497 15.701 ( -1.970 1.533 -0.049) 2.497 16.229 ( 2.672 -0.573 -0.060) 2.733 16.229 ( 2.672 0.573 -0.060) 2.733 20.737 ( 1.177 -1.384 1.248) 2.204 20.737 ( 1.177 1.384 1.248) 2.204 20.788 ( 1.163 -0.890 -1.790) 2.312 20.788 ( 1.163 0.890 -1.790) 2.312 21.212 ( -4.518 -3.266 1.089) 5.681 21.212 ( -4.518 3.266 1.089) 5.681 21.664 ( -2.060 -0.150 -0.420) 2.107 21.664 ( -2.060 0.150 -0.420) 2.107 22.045 ( -1.457 -2.878 -0.264) 3.236 22.045 ( -1.457 2.878 -0.264) 3.236 22.178 ( 1.505 -0.757 -0.206) 1.697 22.178 ( 1.505 0.757 -0.206) 1.697 22.607 ( 0.278 -2.830 1.333) 3.141 22.607 ( 0.278 2.830 1.333) 3.141 22.875 ( 3.035 -2.257 -1.043) 3.923 22.875 ( 3.035 2.257 -1.043) 3.923 23.723 ( 0.246 -1.228 -0.130) 1.259 23.723 ( 0.246 1.228 -0.130) 1.259 23.841 ( 1.792 -1.171 -0.134) 2.145 23.841 ( 1.792 1.171 -0.134) 2.145 23.978 ( -2.042 -5.485 0.200) 5.856 23.978 ( -2.042 5.485 0.200) 5.856 24.003 ( -3.216 -6.491 -0.170) 7.246 24.003 ( -3.216 6.491 -0.170) 7.246 24.425 ( -2.217 -4.910 0.315) 5.396 24.425 ( -2.217 4.910 0.315) 5.396 24.645 ( -0.159 -5.897 -0.334) 5.909 24.645 ( -0.159 5.897 -0.334) 5.909 ======================= Grid point 125 (64/88) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -2.080 -6.588 3.757) 7.864 0.926 ( -2.079 6.588 3.757) 7.864 1.232 ( -7.274 -6.653 1.208) 9.932 1.232 ( -7.274 6.654 1.208) 9.932 1.405 ( -0.104 -2.463 0.272) 2.481 1.405 ( -0.104 2.463 0.272) 2.481 1.616 ( 0.034 -2.558 0.453) 2.598 1.616 ( 0.034 2.558 0.453) 2.598 1.763 ( -2.555 -6.918 -0.740) 7.411 1.763 ( -2.555 6.918 -0.740) 7.411 1.898 ( -1.416 -7.576 2.301) 8.043 1.898 ( -1.416 7.576 2.301) 8.043 2.104 ( -0.301 -2.472 1.163) 2.749 2.104 ( -0.301 2.472 1.163) 2.749 2.288 ( -0.617 -1.637 0.489) 1.817 2.288 ( -0.617 1.637 0.489) 1.817 2.512 ( -2.137 -3.176 1.343) 4.057 2.512 ( -2.137 3.176 1.343) 4.057 2.641 ( 1.050 -10.485 -7.679) 13.039 2.641 ( 1.050 10.485 -7.679) 13.039 2.957 ( -3.782 -1.492 0.125) 4.068 2.957 ( -3.782 1.492 0.125) 4.068 3.228 ( 2.481 -1.904 -0.898) 3.254 3.228 ( 2.481 1.904 -0.898) 3.254 3.349 ( 1.506 -12.748 -3.008) 13.184 3.349 ( 1.506 12.748 -3.008) 13.184 3.565 ( -0.476 -3.996 -0.511) 4.056 3.565 ( -0.476 3.996 -0.511) 4.056 3.690 ( 1.503 -2.857 3.729) 4.932 3.690 ( 1.503 2.857 3.729) 4.932 3.827 ( -0.145 -4.165 0.331) 4.181 3.827 ( -0.145 4.166 0.331) 4.181 4.064 ( -0.244 -4.473 2.319) 5.044 4.064 ( -0.244 4.473 2.319) 5.044 4.256 ( -0.446 -5.122 -3.512) 6.226 4.256 ( -0.446 5.122 -3.512) 6.226 4.488 ( -0.635 -1.218 1.366) 1.937 4.488 ( -0.635 1.218 1.366) 1.937 4.559 ( 0.489 -2.690 -2.468) 3.683 4.559 ( 0.489 2.690 -2.468) 3.683 5.103 ( -6.992 -7.236 9.255) 13.671 5.103 ( -6.992 7.236 9.255) 13.671 5.398 ( 0.665 -7.470 -2.857) 8.026 5.398 ( 0.665 7.470 -2.857) 8.026 5.517 ( 0.619 -4.764 0.108) 4.805 5.517 ( 0.619 4.764 0.108) 4.805 5.652 ( 1.289 -7.334 -2.459) 7.842 5.652 ( 1.289 7.334 -2.459) 7.842 6.185 ( -1.438 -7.048 1.800) 7.415 6.185 ( -1.438 7.048 1.800) 7.415 6.415 ( 3.229 -6.913 -2.412) 8.002 6.415 ( 3.229 6.913 -2.412) 8.002 6.656 ( 0.330 -7.224 0.208) 7.235 6.656 ( 0.330 7.224 0.208) 7.235 6.869 ( -0.836 -10.695 -2.760) 11.077 6.869 ( -0.836 10.695 -2.760) 11.077 7.193 ( 0.082 -4.234 1.531) 4.503 7.193 ( 0.082 4.234 1.531) 4.503 7.353 ( -2.841 -1.900 7.727) 8.449 7.353 ( -2.841 1.900 7.727) 8.449 7.608 ( 5.761 -3.543 -5.979) 9.027 7.608 ( 5.761 3.543 -5.979) 9.027 7.732 ( -1.224 -6.497 3.647) 7.551 7.732 ( -1.224 6.497 3.647) 7.551 8.043 ( 0.890 -5.682 -1.686) 5.993 8.043 ( 0.890 5.682 -1.686) 5.993 8.162 ( 2.297 -4.915 -6.697) 8.618 8.162 ( 2.297 4.915 -6.697) 8.618 8.567 ( -3.771 -4.957 7.084) 9.432 8.567 ( -3.771 4.957 7.084) 9.432 8.852 ( 0.185 -4.530 -2.865) 5.363 8.852 ( 0.185 4.530 -2.865) 5.363 9.375 ( 0.511 -0.319 -0.940) 1.116 9.375 ( 0.511 0.319 -0.940) 1.116 9.846 ( 7.305 -3.645 0.504) 8.179 9.846 ( 7.305 3.645 0.504) 8.179 10.134 ( -7.894 -3.742 -0.310) 8.741 10.134 ( -7.894 3.742 -0.310) 8.741 10.682 ( -1.244 -1.558 0.012) 1.994 10.682 ( -1.244 1.558 0.012) 1.994 10.797 ( 0.015 -4.963 -0.367) 4.976 10.797 ( 0.015 4.963 -0.367) 4.976 10.894 ( 0.652 -5.444 0.110) 5.484 10.894 ( 0.652 5.444 0.110) 5.484 11.690 ( -1.165 -2.303 2.025) 3.281 11.690 ( -1.165 2.303 2.025) 3.281 11.928 ( -0.501 -12.945 -0.356) 12.960 11.928 ( -0.501 12.945 -0.356) 12.960 12.428 ( 0.398 -8.484 -1.100) 8.564 12.428 ( 0.398 8.484 -1.100) 8.564 12.604 ( 0.353 -15.126 -2.151) 15.282 12.604 ( 0.353 15.126 -2.151) 15.282 13.279 ( 5.133 -2.817 -1.133) 5.964 13.279 ( 5.133 2.817 -1.133) 5.964 13.420 ( -4.280 -5.097 1.681) 6.865 13.420 ( -4.280 5.097 1.681) 6.865 13.604 ( 3.205 -1.735 0.914) 3.757 13.604 ( 3.205 1.735 0.914) 3.757 13.780 ( -3.613 -1.922 0.775) 4.165 13.780 ( -3.613 1.922 0.775) 4.165 15.673 ( -1.007 -1.499 -0.136) 1.811 15.673 ( -1.007 1.499 -0.136) 1.811 16.266 ( 1.427 -0.336 -0.045) 1.467 16.266 ( 1.427 0.336 -0.045) 1.467 20.756 ( -0.052 -1.555 1.084) 1.896 20.756 ( -0.052 1.555 1.084) 1.896 20.811 ( 2.329 -1.347 -0.910) 2.840 20.811 ( 2.329 1.347 -0.910) 2.840 21.144 ( -3.645 -4.086 1.223) 5.611 21.144 ( -3.645 4.086 1.223) 5.611 21.625 ( -1.414 -0.247 -1.377) 1.989 21.625 ( -1.414 0.247 -1.377) 1.989 22.030 ( -0.572 -3.248 1.053) 3.462 22.030 ( -0.572 3.248 1.053) 3.462 22.189 ( 0.627 -0.536 -2.319) 2.461 22.189 ( 0.627 0.536 -2.319) 2.461 22.632 ( 0.309 -2.754 3.922) 4.802 22.632 ( 0.309 2.754 3.922) 4.802 22.903 ( 1.616 -2.379 -2.633) 3.900 22.903 ( 1.616 2.379 -2.633) 3.900 23.727 ( 0.405 -1.570 -0.354) 1.660 23.727 ( 0.405 1.570 -0.354) 1.660 23.869 ( 1.274 -1.940 -0.002) 2.321 23.869 ( 1.274 1.940 -0.002) 2.321 23.936 ( -2.406 -1.635 0.446) 2.943 23.936 ( -2.406 1.635 0.446) 2.943 23.961 ( -1.430 -1.375 -0.050) 1.985 23.961 ( -1.430 1.375 -0.050) 1.985 24.401 ( -0.971 -3.619 0.754) 3.822 24.401 ( -0.971 3.619 0.754) 3.822 24.637 ( -0.075 -4.775 -1.039) 4.887 24.637 ( -0.075 4.775 -1.039) 4.887 ======================= Grid point 147 (65/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 6.019 0.000 -14.777) 15.956 0.805 ( -6.019 0.000 14.777) 15.956 0.900 ( 2.347 0.000 -17.984) 18.136 0.900 ( -2.347 0.000 17.984) 18.136 1.313 ( 4.906 0.000 -22.470) 22.999 1.313 ( -4.906 0.000 22.470) 22.999 1.496 ( 3.382 0.000 -5.813) 6.725 1.496 ( -3.382 0.000 5.813) 6.725 1.649 ( 0.457 0.000 -4.951) 4.972 1.649 ( -0.457 0.000 4.951) 4.972 1.961 ( 0.335 0.000 -1.081) 1.132 1.961 ( -0.335 0.000 1.081) 1.132 2.173 ( 0.258 0.000 -0.240) 0.353 2.173 ( -0.258 0.000 0.240) 0.353 2.234 ( -1.579 0.000 -3.237) 3.601 2.234 ( 1.579 0.000 3.237) 3.601 2.576 ( -3.877 0.000 -6.615) 7.668 2.576 ( 3.877 0.000 6.615) 7.668 2.725 ( -6.097 0.000 -0.321) 6.105 2.725 ( 6.097 0.000 0.321) 6.105 2.954 ( 1.320 0.000 -1.632) 2.099 2.954 ( -1.320 0.000 1.632) 2.099 3.129 ( -0.831 0.000 -4.417) 4.495 3.129 ( 0.831 0.000 4.417) 4.495 3.327 ( 1.979 0.000 -4.174) 4.619 3.327 ( -1.979 0.000 4.174) 4.619 3.481 ( -6.974 0.000 -7.656) 10.356 3.481 ( 6.974 0.000 7.656) 10.356 3.686 ( 8.370 0.000 -4.039) 9.294 3.686 ( -8.370 0.000 4.040) 9.294 4.065 ( -5.511 0.000 -1.579) 5.733 4.065 ( 5.511 0.000 1.579) 5.733 4.105 ( 1.118 0.000 -1.192) 1.635 4.105 ( -1.118 0.000 1.192) 1.635 4.372 ( -0.332 0.000 -2.797) 2.817 4.372 ( 0.332 0.000 2.797) 2.817 4.616 ( -4.925 0.000 0.523) 4.953 4.616 ( 4.925 0.000 -0.523) 4.953 4.784 ( 7.552 0.000 -12.250) 14.391 4.784 ( -7.552 0.000 12.250) 14.391 4.907 ( 3.524 0.000 -5.460) 6.498 4.907 ( -3.524 0.000 5.460) 6.498 5.265 ( 4.716 0.000 -9.747) 10.828 5.265 ( -4.716 0.000 9.747) 10.828 5.682 ( 2.070 0.000 -2.645) 3.359 5.682 ( -2.070 0.000 2.645) 3.359 5.697 ( 2.912 0.000 -7.063) 7.640 5.697 ( -2.912 0.000 7.063) 7.640 5.780 ( 5.372 0.000 -8.302) 9.889 5.780 ( -5.372 0.000 8.302) 9.889 6.153 ( 3.786 0.000 -2.797) 4.707 6.153 ( -3.786 0.000 2.797) 4.707 6.699 ( 0.001 0.000 -0.759) 0.759 6.699 ( -0.001 0.000 0.759) 0.759 7.168 ( 3.917 0.000 -1.457) 4.179 7.168 ( -3.916 0.000 1.457) 4.179 7.179 ( 0.430 0.000 -3.969) 3.992 7.179 ( -0.431 0.000 3.969) 3.993 7.383 ( 4.671 0.000 -2.878) 5.486 7.383 ( -4.671 0.000 2.878) 5.486 7.683 ( 9.142 0.000 -10.032) 13.572 7.683 ( -9.142 0.000 10.032) 13.572 7.927 ( -3.394 0.000 -7.603) 8.326 7.927 ( 3.394 0.000 7.603) 8.326 8.249 ( -2.319 0.000 -3.716) 4.381 8.249 ( 2.319 0.000 3.716) 4.381 8.554 ( 1.579 0.000 -3.282) 3.642 8.554 ( -1.579 0.000 3.282) 3.642 8.724 ( -0.170 0.000 -3.140) 3.145 8.724 ( 0.170 0.000 3.140) 3.145 8.965 ( -2.121 0.000 -2.994) 3.669 8.965 ( 2.121 0.000 2.994) 3.669 9.175 ( -0.486 0.000 -0.698) 0.850 9.175 ( 0.486 0.000 0.698) 0.850 9.836 ( -7.567 0.000 1.322) 7.681 9.836 ( 7.567 0.000 -1.322) 7.681 10.041 ( -5.337 0.000 -0.927) 5.417 10.041 ( 5.337 0.000 0.927) 5.417 10.181 ( -1.085 0.000 0.339) 1.137 10.181 ( 1.085 0.000 -0.339) 1.137 10.562 ( 1.428 0.000 -1.618) 2.158 10.562 ( -1.428 0.000 1.618) 2.158 10.999 ( -8.176 0.000 1.107) 8.250 10.999 ( 8.176 0.000 -1.107) 8.250 11.258 ( -6.230 0.000 -3.184) 6.997 11.258 ( 6.230 0.000 3.184) 6.997 11.661 ( -0.389 0.000 -3.687) 3.708 11.661 ( 0.389 0.000 3.687) 3.708 12.182 ( 2.771 0.000 -5.312) 5.991 12.182 ( -2.771 0.000 5.312) 5.991 12.828 ( 0.266 0.000 -11.133) 11.136 12.828 ( -0.266 0.000 11.133) 11.136 13.348 ( 5.282 0.000 -5.165) 7.387 13.348 ( -5.282 0.000 5.165) 7.387 13.659 ( 0.305 0.000 -1.713) 1.740 13.659 ( -0.305 0.000 1.713) 1.740 13.743 ( -3.537 0.000 -2.502) 4.333 13.743 ( 3.537 0.000 2.502) 4.333 13.883 ( 1.560 0.000 -1.590) 2.227 13.883 ( -1.560 0.000 1.590) 2.227 15.614 ( 0.215 0.000 -2.620) 2.629 15.614 ( -0.215 0.000 2.620) 2.629 16.319 ( -0.089 0.000 -0.287) 0.300 16.319 ( 0.089 0.000 0.287) 0.300 20.701 ( 0.834 0.000 -1.177) 1.443 20.701 ( -0.834 0.000 1.177) 1.443 20.799 ( 0.313 0.000 -2.306) 2.327 20.799 ( -0.313 0.000 2.306) 2.327 21.228 ( -0.248 0.000 -6.600) 6.605 21.228 ( 0.248 0.000 6.600) 6.605 21.620 ( 0.646 0.000 -2.177) 2.271 21.620 ( -0.646 0.000 2.177) 2.271 21.996 ( 1.401 0.000 -6.425) 6.576 21.996 ( -1.401 0.000 6.425) 6.576 22.170 ( -0.717 0.000 -2.319) 2.427 22.170 ( 0.717 0.000 2.319) 2.427 22.684 ( -0.832 0.000 -5.772) 5.832 22.684 ( 0.832 0.000 5.772) 5.832 22.904 ( 1.961 0.000 -5.321) 5.671 22.904 ( -1.961 0.000 5.321) 5.671 23.586 ( 0.473 0.000 -0.361) 0.595 23.586 ( -0.473 0.000 0.361) 0.595 23.780 ( -1.916 0.000 0.512) 1.983 23.780 ( 1.916 0.000 -0.512) 1.983 23.891 ( -2.228 0.000 0.537) 2.292 23.891 ( 2.228 0.000 -0.537) 2.292 24.142 ( -0.193 0.000 -0.973) 0.992 24.142 ( 0.193 0.000 0.973) 0.992 24.359 ( -0.957 0.000 -2.591) 2.762 24.359 ( 0.957 0.000 2.591) 2.762 24.721 ( -0.552 0.000 -5.372) 5.400 24.721 ( 0.552 0.000 5.372) 5.400 ======================= Grid point 149 (66/88) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 3.383 0.000 -9.941) 10.501 0.863 ( 3.493 0.000 6.009) 6.950 0.869 ( 12.078 0.000 -13.905) 18.418 1.008 ( 0.407 0.000 18.349) 18.354 1.315 ( 11.077 0.000 -19.164) 22.135 1.412 ( 0.831 0.000 10.077) 10.112 1.492 ( -1.134 0.000 4.894) 5.024 1.538 ( 6.861 0.000 -7.212) 9.954 1.630 ( 1.310 0.000 -4.653) 4.834 1.678 ( -0.386 0.000 4.778) 4.794 1.956 ( -1.168 0.000 1.464) 1.873 1.957 ( 0.448 0.000 -2.005) 2.055 2.123 ( -3.883 0.000 -2.170) 4.449 2.175 ( 0.464 0.000 -0.213) 0.511 2.222 ( 0.156 0.000 -1.325) 1.334 2.303 ( 3.426 0.000 2.450) 4.212 2.413 ( -8.667 0.000 1.160) 8.744 2.629 ( -2.567 0.000 10.689) 10.993 2.640 ( -1.740 0.000 -5.308) 5.586 2.836 ( 4.301 0.000 -3.546) 5.575 2.961 ( 3.079 0.000 -2.914) 4.239 3.008 ( 5.781 0.000 -1.736) 6.036 3.057 ( -3.765 0.000 -5.072) 6.317 3.168 ( -1.064 0.000 7.839) 7.911 3.278 ( -3.925 0.000 -5.934) 7.114 3.325 ( -2.070 0.000 7.046) 7.343 3.383 ( 2.085 0.000 -3.941) 4.458 3.588 ( -6.461 0.000 8.537) 10.706 3.662 ( 7.559 0.000 4.162) 8.629 3.802 ( 5.660 0.000 0.178) 5.663 3.937 ( -6.061 0.000 -3.255) 6.880 4.095 ( -0.080 0.000 0.283) 0.294 4.145 ( 4.684 0.000 -4.087) 6.217 4.160 ( 3.523 0.000 -0.672) 3.587 4.355 ( 0.634 0.000 -3.777) 3.830 4.408 ( 1.760 0.000 0.005) 1.760 4.534 ( -6.037 0.000 5.423) 8.115 4.701 ( 5.996 0.000 -2.434) 6.471 4.753 ( -1.331 0.000 2.858) 3.152 4.834 ( 6.735 0.000 -11.043) 12.935 4.923 ( -2.095 0.000 12.307) 12.484 4.962 ( 5.206 0.000 -2.772) 5.898 5.258 ( -3.490 0.000 9.599) 10.214 5.282 ( 4.836 0.000 -9.771) 10.902 5.644 ( -0.156 0.000 -2.672) 2.676 5.654 ( 1.234 0.000 -7.091) 7.198 5.698 ( -8.656 0.000 8.805) 12.347 5.735 ( -0.190 0.000 6.306) 6.309 5.776 ( 5.547 0.000 -3.277) 6.442 5.787 ( 0.517 0.000 -4.378) 4.408 6.116 ( -1.704 0.000 1.281) 2.131 6.203 ( 3.963 0.000 -3.148) 5.062 6.682 ( -1.164 0.000 -1.280) 1.730 6.696 ( -0.796 0.000 0.411) 0.896 7.055 ( -10.653 0.000 7.798) 13.202 7.118 ( -5.358 0.000 4.252) 6.840 7.220 ( 1.357 0.000 1.613) 2.108 7.223 ( 1.962 0.000 -4.329) 4.753 7.319 ( -3.739 0.000 0.840) 3.832 7.438 ( 4.753 0.000 -5.857) 7.543 7.589 ( -8.815 0.000 9.898) 13.254 7.748 ( 4.296 0.000 -9.362) 10.301 7.836 ( 2.138 0.000 -9.282) 9.525 8.014 ( -0.655 0.000 7.524) 7.553 8.218 ( 1.797 0.000 -1.800) 2.544 8.331 ( 3.522 0.000 3.363) 4.870 8.541 ( -1.954 0.000 1.991) 2.789 8.551 ( 1.084 0.000 -4.307) 4.442 8.707 ( -0.147 0.000 -0.667) 0.683 8.756 ( -0.288 0.000 6.001) 6.008 8.906 ( -1.860 0.000 -3.446) 3.916 9.022 ( 2.054 0.000 2.108) 2.943 9.162 ( -0.024 0.000 -1.337) 1.337 9.187 ( 0.492 0.000 0.153) 0.515 9.694 ( -8.182 0.000 0.393) 8.191 9.846 ( -5.762 0.000 -1.125) 5.871 10.048 ( 7.145 0.000 -0.869) 7.198 10.122 ( 0.807 0.000 2.077) 2.228 10.207 ( 2.121 0.000 0.229) 2.134 10.207 ( 4.362 0.000 0.655) 4.411 10.567 ( 0.885 0.000 0.901) 1.263 10.592 ( 3.369 0.000 -2.494) 4.191 10.879 ( -6.355 0.000 1.930) 6.642 11.124 ( -5.513 0.000 -3.273) 6.411 11.155 ( 9.012 0.000 -0.467) 9.024 11.392 ( 6.709 0.000 1.644) 6.907 11.613 ( -2.327 0.000 -2.863) 3.689 11.677 ( -1.598 0.000 3.880) 4.196 12.169 ( -2.845 0.000 5.344) 6.055 12.201 ( 3.712 0.000 -4.869) 6.123 12.739 ( -1.697 0.000 -9.686) 9.834 12.889 ( -1.735 0.000 11.881) 12.007 13.318 ( -1.947 0.000 4.817) 5.196 13.415 ( 5.366 0.000 -6.148) 8.160 13.604 ( -4.176 0.000 -4.202) 5.924 13.646 ( 0.288 0.000 -2.764) 2.779 13.681 ( -2.057 0.000 4.098) 4.585 13.715 ( -5.869 0.000 1.265) 6.004 13.944 ( 5.590 0.000 -3.448) 6.568 13.967 ( 6.709 0.000 2.039) 7.012 15.608 ( 1.250 0.000 -2.428) 2.731 15.636 ( 0.640 0.000 2.481) 2.563 16.301 ( -1.632 0.000 -0.301) 1.659 16.308 ( -1.526 0.000 0.281) 1.552 20.686 ( -1.776 0.000 1.228) 2.159 20.701 ( 0.164 0.000 -1.004) 1.018 20.790 ( 0.677 0.000 -2.437) 2.529 20.804 ( -1.255 0.000 2.352) 2.666 21.205 ( 2.939 0.000 -6.004) 6.685 21.291 ( 1.485 0.000 5.689) 5.879 21.627 ( 1.583 0.000 -1.814) 2.408 21.634 ( 0.393 0.000 2.100) 2.136 21.989 ( 2.387 0.000 -5.035) 5.572 22.026 ( -0.608 0.000 6.638) 6.665 22.136 ( -0.970 0.000 -2.935) 3.091 22.194 ( 0.541 0.000 1.283) 1.392 22.625 ( -1.200 0.000 -5.273) 5.408 22.731 ( -0.148 0.000 5.585) 5.587 22.888 ( 0.826 0.000 -6.088) 6.143 22.895 ( -2.713 0.000 4.329) 5.109 23.584 ( 0.277 0.000 -0.127) 0.305 23.598 ( 0.975 0.000 0.352) 1.037 23.740 ( -2.963 0.000 0.422) 2.993 23.795 ( -0.104 0.000 -2.268) 2.270 23.853 ( -1.951 0.000 2.032) 2.817 23.917 ( 1.015 0.000 -0.245) 1.044 24.156 ( 1.829 0.000 -0.297) 1.853 24.179 ( 3.212 0.000 0.079) 3.213 24.327 ( -0.522 0.000 -2.045) 2.111 24.392 ( 0.770 0.000 2.128) 2.263 24.696 ( 2.021 0.000 -4.844) 5.249 24.788 ( 2.930 0.000 4.568) 5.427 ======================= Grid point 150 (67/88) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 8.637 0.000 -4.518) 9.747 0.998 ( 7.991 0.000 1.378) 8.108 1.015 ( 12.423 0.000 -8.890) 15.277 1.158 ( 3.313 0.000 11.232) 11.711 1.381 ( 5.509 0.000 -6.916) 8.842 1.451 ( -0.817 0.000 2.542) 2.670 1.534 ( 3.832 0.000 0.196) 3.837 1.627 ( 1.970 0.000 -4.950) 5.328 1.636 ( 5.826 0.000 -0.798) 5.880 1.702 ( 2.079 0.000 0.137) 2.083 1.942 ( -0.881 0.000 -2.684) 2.825 1.947 ( -1.049 0.000 1.874) 2.147 2.031 ( -5.500 0.000 3.264) 6.396 2.164 ( -3.055 0.000 2.466) 3.925 2.190 ( -0.539 0.000 -1.736) 1.818 2.377 ( 3.344 0.000 0.680) 3.412 2.385 ( 4.391 0.000 -0.932) 4.489 2.595 ( 2.279 0.000 -7.078) 7.436 2.662 ( -0.483 0.000 1.158) 1.254 2.825 ( 0.741 0.000 1.054) 1.289 2.938 ( -3.742 0.000 -6.616) 7.601 3.040 ( 5.798 0.000 -1.158) 5.913 3.079 ( -0.345 0.000 0.577) 0.673 3.191 ( -3.085 0.000 8.231) 8.790 3.221 ( 2.794 0.000 -0.552) 2.848 3.358 ( -1.090 0.000 9.495) 9.557 3.428 ( 5.498 0.000 -4.127) 6.875 3.593 ( -0.078 0.000 9.210) 9.210 3.767 ( -1.122 0.000 -1.637) 1.985 3.845 ( 2.616 0.000 -3.370) 4.266 3.887 ( 2.361 0.000 3.128) 3.919 4.082 ( -1.756 0.000 0.091) 1.758 4.198 ( 4.600 0.000 -5.184) 6.931 4.199 ( 2.222 0.000 -2.214) 3.136 4.331 ( -0.442 0.000 -3.941) 3.965 4.401 ( -1.050 0.000 -2.868) 3.054 4.482 ( -7.085 0.000 11.682) 13.662 4.796 ( 6.861 0.000 -4.997) 8.488 4.800 ( 8.086 0.000 -6.087) 10.121 4.853 ( 3.059 0.000 -8.901) 9.412 4.982 ( -2.536 0.000 14.355) 14.577 5.029 ( 3.330 0.000 -1.154) 3.524 5.279 ( -1.990 0.000 9.854) 10.053 5.297 ( 3.495 0.000 -7.319) 8.111 5.580 ( -13.312 0.000 15.203) 20.208 5.635 ( 1.203 0.000 -4.757) 4.907 5.637 ( 2.364 0.000 -7.245) 7.621 5.751 ( 0.750 0.000 -6.005) 6.051 5.767 ( -1.403 0.000 6.009) 6.170 5.862 ( 9.036 0.000 -9.850) 13.367 6.110 ( 0.481 0.000 -0.429) 0.644 6.247 ( 3.069 0.000 -2.149) 3.747 6.639 ( -2.575 0.000 -1.250) 2.863 6.677 ( -1.592 0.000 0.277) 1.616 6.903 ( -12.961 0.000 9.690) 16.183 7.038 ( -8.774 0.000 7.631) 11.628 7.181 ( -2.970 0.000 -2.116) 3.647 7.241 ( -1.115 0.000 1.718) 2.048 7.282 ( 0.292 0.000 0.040) 0.295 7.469 ( 4.403 0.000 -8.631) 9.689 7.522 ( -6.905 0.000 11.546) 13.453 7.719 ( 0.293 0.000 -6.088) 6.095 7.871 ( 9.285 0.000 -15.039) 17.674 8.014 ( -3.721 0.000 5.818) 6.906 8.281 ( 3.926 0.000 2.555) 4.684 8.413 ( 3.455 0.000 1.560) 3.791 8.513 ( -2.247 0.000 1.034) 2.474 8.531 ( 0.513 0.000 -5.108) 5.133 8.709 ( 0.143 0.000 1.023) 1.033 8.794 ( -1.045 0.000 7.708) 7.779 8.854 ( -1.338 0.000 -2.402) 2.750 9.065 ( 1.364 0.000 1.189) 1.810 9.157 ( 0.665 0.000 -1.767) 1.888 9.189 ( -0.296 0.000 -0.578) 0.649 9.559 ( -6.750 0.000 -0.121) 6.751 9.717 ( -7.140 0.000 -0.292) 7.146 10.145 ( 1.434 0.000 1.464) 2.050 10.182 ( 7.900 0.000 -1.930) 8.132 10.253 ( 3.431 0.000 0.969) 3.565 10.316 ( 5.430 0.000 2.069) 5.811 10.599 ( 1.883 0.000 0.370) 1.919 10.638 ( 3.731 0.000 -3.179) 4.901 10.793 ( -5.127 0.000 2.212) 5.584 10.996 ( -5.770 0.000 -2.800) 6.413 11.328 ( 9.479 0.000 0.672) 9.503 11.520 ( 6.958 0.000 -0.575) 6.982 11.539 ( -3.651 0.000 -1.962) 4.144 11.655 ( -3.634 0.000 3.039) 4.737 12.160 ( -2.154 0.000 5.295) 5.716 12.253 ( 5.729 0.000 -4.672) 7.392 12.645 ( -1.482 0.000 -7.142) 7.295 12.939 ( -2.239 0.000 12.202) 12.406 13.337 ( 0.072 0.000 4.635) 4.636 13.381 ( -3.278 0.000 -7.175) 7.888 13.573 ( 3.000 0.000 -3.720) 4.779 13.594 ( -6.389 0.000 -1.493) 6.561 13.642 ( -0.101 0.000 -0.931) 0.936 13.673 ( -2.057 0.000 3.954) 4.457 14.022 ( 6.122 0.000 -4.371) 7.522 14.092 ( 5.055 0.000 2.224) 5.522 15.625 ( 2.414 0.000 -1.966) 3.113 15.670 ( 1.317 0.000 2.100) 2.479 16.259 ( -2.807 0.000 -0.313) 2.824 16.270 ( -2.901 0.000 0.313) 2.918 20.660 ( -2.043 0.000 1.330) 2.438 20.697 ( 0.267 0.000 -1.460) 1.484 20.785 ( 0.661 0.000 -2.575) 2.658 20.785 ( -2.326 0.000 2.190) 3.195 21.247 ( 5.253 0.000 -3.880) 6.530 21.354 ( 1.426 0.000 4.222) 4.456 21.649 ( 1.950 0.000 -1.158) 2.267 21.661 ( 0.965 0.000 1.644) 1.906 22.011 ( 3.377 0.000 -3.276) 4.705 22.064 ( -0.040 0.000 5.467) 5.468 22.098 ( -0.959 0.000 -2.493) 2.671 22.209 ( 0.497 0.000 0.232) 0.549 22.571 ( -0.852 0.000 -4.140) 4.227 22.754 ( -1.372 0.000 4.352) 4.564 22.850 ( -0.189 0.000 -5.764) 5.767 22.871 ( -3.166 0.000 3.804) 4.948 23.591 ( 0.598 0.000 -0.809) 1.006 23.628 ( 1.573 0.000 1.442) 2.134 23.684 ( -3.539 0.000 0.927) 3.658 23.747 ( -2.068 0.000 -2.126) 2.967 23.855 ( -0.282 0.000 1.438) 1.465 23.918 ( -0.660 0.000 -0.611) 0.899 24.188 ( 1.107 0.000 0.998) 1.491 24.238 ( 3.064 0.000 -1.754) 3.531 24.317 ( 0.577 0.000 -0.308) 0.654 24.414 ( 0.299 0.000 1.176) 1.213 24.735 ( 5.814 0.000 -3.192) 6.633 24.888 ( 5.112 0.000 2.765) 5.812 ======================= Grid point 151 (68/88) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 5.531 0.000 0.158) 5.534 1.134 ( 5.946 0.000 -0.992) 6.028 1.159 ( 7.203 0.000 -2.923) 7.773 1.246 ( 0.874 0.000 2.966) 3.092 1.419 ( 2.870 0.000 -1.694) 3.333 1.446 ( 0.215 0.000 -0.376) 0.433 1.607 ( 3.152 0.000 -5.385) 6.240 1.664 ( 8.197 0.000 -3.227) 8.809 1.679 ( -1.752 0.000 6.202) 6.445 1.795 ( 6.295 0.000 -0.940) 6.365 1.863 ( -5.034 0.000 -1.820) 5.353 1.948 ( -0.018 0.000 1.411) 1.411 2.035 ( 0.769 0.000 8.600) 8.634 2.099 ( -5.539 0.000 1.180) 5.663 2.192 ( 0.841 0.000 -0.257) 0.879 2.407 ( -0.196 0.000 -4.915) 4.919 2.504 ( 9.081 0.000 0.164) 9.082 2.636 ( 0.731 0.000 -1.543) 1.707 2.650 ( 10.138 0.000 -6.433) 12.006 2.858 ( -0.447 0.000 -4.627) 4.648 2.928 ( 4.936 0.000 5.322) 7.259 3.031 ( -3.471 0.000 1.830) 3.924 3.120 ( 1.537 0.000 0.718) 1.697 3.198 ( 1.575 0.000 3.544) 3.878 3.326 ( 5.861 0.000 2.153) 6.243 3.406 ( -1.850 0.000 10.439) 10.602 3.511 ( 6.747 0.000 -4.255) 7.977 3.668 ( -3.873 0.000 -6.539) 7.600 3.689 ( 3.291 0.000 7.081) 7.808 3.911 ( 5.225 0.000 -4.681) 7.015 3.919 ( -2.270 0.000 3.519) 4.188 4.045 ( -1.518 0.000 0.409) 1.572 4.213 ( 1.347 0.000 -2.752) 3.064 4.235 ( 3.709 0.000 -5.013) 6.236 4.286 ( -1.936 0.000 -2.173) 2.910 4.358 ( -1.765 0.000 -1.336) 2.214 4.439 ( -6.141 0.000 10.542) 12.200 4.813 ( 0.327 0.000 -10.414) 10.419 4.883 ( 5.938 0.000 -8.353) 10.248 4.902 ( 8.651 0.000 -5.913) 10.479 5.021 ( -3.819 0.000 12.279) 12.859 5.076 ( 2.586 0.000 1.923) 3.223 5.298 ( -0.834 0.000 0.408) 0.929 5.313 ( -1.951 0.000 8.581) 8.799 5.447 ( -12.096 0.000 12.575) 17.449 5.578 ( -3.949 0.000 -3.820) 5.494 5.636 ( 2.707 0.000 -5.801) 6.402 5.762 ( 0.810 0.000 -1.733) 1.913 5.776 ( 3.665 0.000 -2.746) 4.579 5.966 ( 11.768 0.000 -12.644) 17.273 6.115 ( 0.473 0.000 -1.644) 1.711 6.285 ( 2.258 0.000 -0.672) 2.356 6.571 ( -5.141 0.000 1.118) 5.261 6.634 ( -4.248 0.000 1.113) 4.391 6.750 ( -10.848 0.000 9.715) 14.562 6.901 ( -11.320 0.000 6.292) 12.951 7.135 ( -1.437 0.000 1.713) 2.236 7.225 ( 0.600 0.000 -3.356) 3.410 7.314 ( 0.888 0.000 4.085) 4.181 7.472 ( 2.929 0.000 -8.833) 9.306 7.504 ( -5.130 0.000 13.490) 14.433 7.676 ( 0.162 0.000 -7.634) 7.636 7.931 ( 9.741 0.000 -16.823) 19.440 7.987 ( -3.904 0.000 6.700) 7.754 8.371 ( 2.718 0.000 4.923) 5.623 8.469 ( 2.966 0.000 -3.272) 4.417 8.482 ( -2.162 0.000 2.960) 3.666 8.503 ( 0.748 0.000 -5.432) 5.483 8.722 ( 0.204 0.000 1.582) 1.596 8.805 ( -0.883 0.000 -0.190) 0.903 8.849 ( -1.117 0.000 7.788) 7.868 9.084 ( 0.187 0.000 0.071) 0.200 9.159 ( 0.834 0.000 -1.919) 2.093 9.163 ( -1.688 0.000 -1.559) 2.298 9.458 ( -4.227 0.000 -0.078) 4.227 9.598 ( -5.838 0.000 -0.026) 5.838 10.207 ( 4.499 0.000 1.049) 4.620 10.289 ( 5.583 0.000 -0.867) 5.650 10.353 ( 6.740 0.000 -0.144) 6.741 10.419 ( 4.090 0.000 2.368) 4.726 10.628 ( 0.886 0.000 0.010) 0.886 10.671 ( 1.750 0.000 -2.920) 3.404 10.720 ( -4.180 0.000 1.399) 4.408 10.879 ( -5.622 0.000 -1.412) 5.797 11.461 ( -3.671 0.000 -0.421) 3.695 11.487 ( 6.039 0.000 1.732) 6.282 11.602 ( -2.955 0.000 1.679) 3.399 11.632 ( 6.715 0.000 -3.303) 7.483 12.171 ( -0.825 0.000 5.221) 5.286 12.315 ( 4.411 0.000 -6.323) 7.709 12.614 ( 2.967 0.000 -2.948) 4.183 12.977 ( -3.404 0.000 11.884) 12.362 13.264 ( -3.466 0.000 -6.357) 7.241 13.379 ( 0.956 0.000 3.759) 3.879 13.460 ( -7.149 0.000 -0.703) 7.183 13.581 ( 0.571 0.000 -4.620) 4.655 13.644 ( 0.696 0.000 -0.476) 0.843 13.674 ( -0.537 0.000 2.837) 2.888 14.097 ( 5.629 0.000 -4.361) 7.120 14.173 ( 2.096 0.000 2.389) 3.178 15.666 ( 3.330 0.000 -1.464) 3.637 15.711 ( 1.616 0.000 1.658) 2.315 16.200 ( -3.244 0.000 -0.368) 3.264 16.212 ( -3.615 0.000 0.382) 3.635 20.637 ( -1.609 0.000 1.895) 2.486 20.687 ( 0.179 0.000 -2.443) 2.450 20.762 ( -2.008 0.000 2.648) 3.324 20.777 ( 0.512 0.000 -2.563) 2.613 21.320 ( 4.915 0.000 -2.237) 5.400 21.399 ( 0.881 0.000 2.637) 2.780 21.676 ( 1.599 0.000 -0.506) 1.677 21.687 ( 0.825 0.000 0.857) 1.189 22.059 ( 3.710 0.000 -2.723) 4.602 22.074 ( -0.184 0.000 0.173) 0.253 22.096 ( 0.040 0.000 3.143) 3.143 22.214 ( 0.299 0.000 -0.708) 0.768 22.541 ( 0.294 0.000 -2.448) 2.465 22.739 ( -2.819 0.000 1.858) 3.376 22.807 ( -0.442 0.000 -4.271) 4.294 22.839 ( -3.322 0.000 3.826) 5.067 23.583 ( -0.775 0.000 -0.991) 1.258 23.628 ( -3.093 0.000 1.202) 3.319 23.673 ( 1.716 0.000 1.485) 2.269 23.719 ( 0.538 0.000 -1.598) 1.686 23.852 ( -0.730 0.000 0.602) 0.946 23.892 ( -1.519 0.000 -0.396) 1.570 24.206 ( -0.275 0.000 2.048) 2.067 24.250 ( 0.592 0.000 -2.959) 3.017 24.342 ( 1.369 0.000 1.023) 1.709 24.420 ( -0.124 0.000 0.169) 0.210 24.852 ( 8.307 0.000 -1.243) 8.399 24.998 ( 5.246 0.000 0.909) 5.324 ======================= Grid point 152 (69/88) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 3.759 0.000 -0.135) 3.762 1.203 ( -0.865 0.000 0.193) 0.886 1.208 ( 1.868 0.000 3.952) 4.371 1.259 ( 0.720 0.000 -1.714) 1.860 1.458 ( 1.798 0.000 -1.069) 2.092 1.467 ( 1.824 0.000 -0.939) 2.051 1.620 ( 4.657 0.000 -7.244) 8.612 1.688 ( 0.095 0.000 2.628) 2.629 1.768 ( -5.431 0.000 4.000) 6.746 1.789 ( 5.132 0.000 -1.189) 5.268 1.876 ( 1.995 0.000 0.932) 2.202 1.948 ( -2.212 0.000 -3.180) 3.874 2.015 ( -0.506 0.000 0.239) 0.559 2.100 ( -0.132 0.000 2.503) 2.507 2.229 ( 1.888 0.000 4.437) 4.822 2.347 ( -1.829 0.000 -4.053) 4.447 2.644 ( 4.587 0.000 2.495) 5.222 2.667 ( 2.050 0.000 0.471) 2.103 2.850 ( 6.694 0.000 -2.251) 7.062 2.865 ( 9.889 0.000 -0.566) 9.905 2.983 ( -3.327 0.000 3.900) 5.126 3.035 ( 3.184 0.000 2.974) 4.357 3.122 ( 1.069 0.000 -3.517) 3.676 3.285 ( 2.185 0.000 0.529) 2.249 3.432 ( 5.281 0.000 -1.333) 5.446 3.434 ( 0.235 0.000 3.598) 3.606 3.560 ( -4.009 0.000 -1.147) 4.170 3.586 ( 1.923 0.000 0.443) 1.973 3.781 ( 1.856 0.000 4.255) 4.642 3.856 ( -3.402 0.000 -2.521) 4.235 3.967 ( 6.157 0.000 -7.307) 9.555 4.046 ( -1.113 0.000 3.887) 4.043 4.210 ( -0.027 0.000 -1.499) 1.499 4.237 ( -2.069 0.000 -0.960) 2.281 4.265 ( 2.998 0.000 -3.419) 4.547 4.321 ( -2.145 0.000 0.962) 2.351 4.433 ( -1.098 0.000 8.211) 8.284 4.702 ( -5.422 0.000 -8.079) 9.730 4.912 ( 5.817 0.000 -10.282) 11.814 4.994 ( -1.708 0.000 7.007) 7.212 5.038 ( 4.864 0.000 -3.109) 5.773 5.161 ( 4.546 0.000 2.524) 5.200 5.253 ( -10.408 0.000 13.370) 16.943 5.316 ( -3.393 0.000 4.832) 5.904 5.358 ( -1.995 0.000 1.247) 2.353 5.468 ( -4.172 0.000 -4.976) 6.493 5.652 ( 3.172 0.000 -4.412) 5.434 5.731 ( -3.456 0.000 2.648) 4.354 5.867 ( 8.813 0.000 -6.260) 10.810 6.076 ( 0.828 0.000 -6.277) 6.332 6.116 ( 9.632 0.000 -6.813) 11.798 6.314 ( 0.718 0.000 0.412) 0.827 6.479 ( -6.426 0.000 4.477) 7.832 6.528 ( -9.617 0.000 5.016) 10.846 6.676 ( -3.831 0.000 6.314) 7.385 6.762 ( -5.842 0.000 -0.234) 5.847 7.147 ( -0.387 0.000 5.125) 5.140 7.211 ( 1.022 0.000 -5.335) 5.432 7.364 ( 0.911 0.000 5.158) 5.238 7.452 ( 1.386 0.000 -7.637) 7.762 7.522 ( -4.009 0.000 14.305) 14.856 7.618 ( 0.807 0.000 -10.705) 10.735 7.972 ( 7.623 0.000 -15.998) 17.721 7.974 ( -3.874 0.000 9.538) 10.294 8.432 ( 0.391 0.000 3.126) 3.150 8.455 ( -1.251 0.000 0.593) 1.384 8.493 ( 1.263 0.000 -1.741) 2.151 8.500 ( 2.110 0.000 -3.055) 3.712 8.738 ( 0.781 0.000 0.720) 1.062 8.786 ( -1.170 0.000 0.142) 1.178 8.900 ( 0.216 0.000 8.554) 8.556 9.058 ( -2.031 0.000 -3.935) 4.429 9.128 ( -0.917 0.000 0.346) 0.980 9.151 ( -0.097 0.000 -2.219) 2.221 9.417 ( -0.361 0.000 0.518) 0.631 9.508 ( -4.187 0.000 -0.165) 4.190 10.316 ( 6.563 0.000 0.892) 6.623 10.383 ( 5.028 0.000 -0.268) 5.035 10.469 ( 6.433 0.000 -0.989) 6.508 10.488 ( 1.879 0.000 1.463) 2.381 10.609 ( -6.230 0.000 0.918) 6.298 10.623 ( -1.539 0.000 -0.068) 1.541 10.707 ( 1.683 0.000 -2.726) 3.204 10.778 ( -4.933 0.000 0.477) 4.956 11.415 ( -1.284 0.000 0.622) 1.427 11.486 ( -3.789 0.000 0.008) 3.789 11.656 ( 3.924 0.000 3.500) 5.258 11.707 ( 4.527 0.000 -4.719) 6.539 12.204 ( 0.312 0.000 5.136) 5.145 12.305 ( 0.314 0.000 -6.791) 6.798 12.711 ( 8.418 0.000 -1.264) 8.512 12.965 ( -6.800 0.000 8.694) 11.037 13.194 ( 0.368 0.000 -3.656) 3.674 13.326 ( -5.692 0.000 -2.269) 6.128 13.433 ( 0.801 0.000 5.186) 5.248 13.541 ( -1.264 0.000 -3.931) 4.129 13.657 ( 0.761 0.000 0.436) 0.877 13.681 ( -0.111 0.000 0.320) 0.339 14.158 ( 4.309 0.000 -3.927) 5.830 14.203 ( -0.614 0.000 2.796) 2.863 15.718 ( 3.215 0.000 -1.186) 3.427 15.746 ( 0.895 0.000 1.345) 1.616 16.145 ( -2.273 0.000 -0.495) 2.327 16.154 ( -3.002 0.000 0.489) 3.041 20.631 ( -0.796 0.000 2.639) 2.757 20.668 ( -0.093 0.000 -3.101) 3.102 20.754 ( -1.318 0.000 3.304) 3.557 20.768 ( 0.621 0.000 -2.895) 2.961 21.382 ( 3.283 0.000 -1.421) 3.577 21.421 ( -0.093 0.000 1.467) 1.470 21.696 ( 0.821 0.000 -0.082) 0.826 21.701 ( 0.388 0.000 0.147) 0.415 22.069 ( 0.648 0.000 -0.039) 0.650 22.105 ( -0.583 0.000 0.477) 0.753 22.125 ( 3.255 0.000 0.597) 3.309 22.208 ( -0.357 0.000 -1.205) 1.257 22.552 ( 2.134 0.000 -0.578) 2.211 22.682 ( -3.986 0.000 -0.152) 3.989 22.781 ( 0.395 0.000 -2.732) 2.760 22.808 ( -2.922 0.000 3.226) 4.353 23.563 ( -0.383 0.000 -0.869) 0.949 23.587 ( -2.261 0.000 0.970) 2.461 23.709 ( 1.254 0.000 0.613) 1.396 23.727 ( 0.614 0.000 -0.505) 0.795 23.845 ( 0.171 0.000 -0.559) 0.584 23.866 ( -1.370 0.000 0.621) 1.504 24.211 ( -0.835 0.000 2.650) 2.779 24.233 ( 0.182 0.000 -3.048) 3.053 24.371 ( 0.966 0.000 1.283) 1.606 24.413 ( -0.461 0.000 -0.664) 0.808 24.988 ( 6.603 0.000 0.078) 6.603 25.072 ( 2.432 0.000 -0.268) 2.446 ======================= Grid point 153 (70/88) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -3.208 0.000 0.465) 3.241 1.163 ( 3.210 0.000 -0.466) 3.244 1.252 ( 0.681 0.000 -4.629) 4.679 1.252 ( -0.678 0.000 4.629) 4.678 1.470 ( -0.447 0.000 -0.387) 0.592 1.470 ( 0.450 0.000 0.387) 0.593 1.678 ( 5.466 0.000 -4.396) 7.014 1.678 ( -5.467 0.000 4.397) 7.016 1.775 ( -4.047 0.000 -2.095) 4.558 1.775 ( 4.053 0.000 2.094) 4.562 1.894 ( 1.329 0.000 -4.460) 4.654 1.894 ( -1.320 0.000 4.457) 4.649 2.069 ( -3.387 0.000 -0.399) 3.410 2.069 ( 3.397 0.000 0.398) 3.420 2.291 ( -1.674 0.000 -3.402) 3.791 2.291 ( 1.676 0.000 3.404) 3.794 2.691 ( 0.329 0.000 -1.015) 1.067 2.691 ( -0.327 0.000 1.015) 1.066 2.915 ( 5.203 0.000 -2.043) 5.590 2.915 ( -5.197 0.000 2.052) 5.588 3.061 ( -5.422 0.000 -5.064) 7.419 3.061 ( 5.426 0.000 5.063) 7.422 3.184 ( 8.523 0.000 4.602) 9.686 3.184 ( -8.479 0.000 -4.600) 9.647 3.484 ( 2.503 0.000 -5.633) 6.164 3.484 ( -2.501 0.000 5.643) 6.172 3.553 ( 5.314 0.000 -2.778) 5.997 3.553 ( -5.308 0.000 2.761) 5.984 3.813 ( -1.177 0.000 4.976) 5.113 3.813 ( 1.184 0.000 -4.980) 5.119 4.026 ( 5.436 0.000 -6.683) 8.615 4.027 ( -5.431 0.000 6.683) 8.611 4.206 ( 0.947 0.000 -0.537) 1.089 4.206 ( -0.948 0.000 0.556) 1.099 4.293 ( 2.781 0.000 -3.249) 4.277 4.293 ( -2.762 0.000 3.234) 4.252 4.534 ( -5.991 0.000 -6.801) 9.063 4.534 ( 5.999 0.000 6.799) 9.067 4.959 ( 7.131 0.000 -10.296) 12.524 4.959 ( -7.128 0.000 10.297) 12.524 5.141 ( 10.566 0.000 -10.486) 14.886 5.141 ( -10.560 0.000 10.490) 14.885 5.258 ( -4.747 0.000 0.090) 4.748 5.258 ( 4.751 0.000 -0.093) 4.752 5.380 ( -1.894 0.000 -3.566) 4.037 5.380 ( 1.896 0.000 3.569) 4.041 5.687 ( 3.667 0.000 -3.323) 4.949 5.687 ( -3.663 0.000 3.322) 4.944 5.987 ( -7.441 0.000 2.390) 7.816 5.987 ( 7.442 0.000 -2.390) 7.817 6.268 ( 10.073 0.000 -7.111) 12.330 6.268 ( -10.066 0.000 7.109) 12.323 6.434 ( -0.545 0.000 -0.083) 0.551 6.434 ( 0.543 0.000 0.084) 0.549 6.688 ( -0.722 0.000 -4.351) 4.410 6.688 ( 0.724 0.000 4.351) 4.411 7.182 ( 0.371 0.000 -6.008) 6.019 7.182 ( -0.371 0.000 6.007) 6.019 7.414 ( -0.183 0.000 -5.979) 5.982 7.414 ( 0.186 0.000 5.979) 5.982 7.561 ( 2.592 0.000 -13.336) 13.586 7.561 ( -2.591 0.000 13.338) 13.587 7.979 ( 4.979 0.000 -13.229) 14.135 7.979 ( -4.975 0.000 13.228) 14.133 8.443 ( 0.779 0.000 -1.040) 1.300 8.443 ( -0.779 0.000 1.041) 1.300 8.506 ( 1.265 0.000 -3.876) 4.077 8.506 ( -1.263 0.000 3.876) 4.076 8.762 ( -1.688 0.000 0.488) 1.757 8.762 ( 1.689 0.000 -0.488) 1.758 8.976 ( -2.018 0.000 -6.958) 7.244 8.976 ( 2.021 0.000 6.957) 7.245 9.132 ( -0.138 0.000 -1.878) 1.883 9.132 ( 0.140 0.000 1.878) 1.884 9.444 ( -2.551 0.000 -0.571) 2.614 9.444 ( 2.552 0.000 0.570) 2.615 10.424 ( -2.189 0.000 -1.289) 2.540 10.424 ( 2.189 0.000 1.289) 2.540 10.515 ( -2.787 0.000 0.823) 2.906 10.515 ( 2.789 0.000 -0.823) 2.907 10.567 ( -4.735 0.000 0.389) 4.751 10.567 ( 4.735 0.000 -0.389) 4.751 10.722 ( 2.442 0.000 -2.329) 3.374 10.722 ( -2.441 0.000 2.329) 3.374 11.427 ( -1.933 0.000 -0.884) 2.125 11.427 ( 1.937 0.000 0.884) 2.130 11.719 ( 0.464 0.000 -4.759) 4.782 11.719 ( -0.464 0.000 4.759) 4.782 12.253 ( -0.823 0.000 -5.655) 5.715 12.253 ( 0.823 0.000 5.655) 5.715 12.859 ( 9.131 0.000 -3.457) 9.763 12.859 ( -9.129 0.000 3.457) 9.762 13.226 ( -3.928 0.000 -0.506) 3.961 13.226 ( 3.928 0.000 0.507) 3.961 13.487 ( -1.396 0.000 -4.196) 4.422 13.487 ( 1.398 0.000 4.195) 4.422 13.674 ( -0.501 0.000 -0.694) 0.856 13.674 ( 0.504 0.000 0.695) 0.859 14.195 ( 2.669 0.000 -3.366) 4.295 14.195 ( -2.668 0.000 3.365) 4.294 15.753 ( 1.343 0.000 -1.193) 1.796 15.753 ( -1.343 0.000 1.193) 1.796 16.123 ( 0.504 0.000 -0.571) 0.762 16.123 ( -0.504 0.000 0.571) 0.761 20.645 ( 0.099 0.000 -3.109) 3.110 20.645 ( -0.097 0.000 3.109) 3.111 20.759 ( 0.856 0.000 -3.385) 3.491 20.759 ( -0.855 0.000 3.384) 3.490 21.416 ( 1.518 0.000 -1.112) 1.882 21.416 ( -1.517 0.000 1.112) 1.881 21.704 ( -0.095 0.000 -0.060) 0.113 21.704 ( 0.096 0.000 0.060) 0.114 22.088 ( -0.948 0.000 -0.687) 1.171 22.088 ( 0.949 0.000 0.688) 1.172 22.180 ( -1.879 0.000 -1.246) 2.254 22.180 ( 1.881 0.000 1.246) 2.256 22.607 ( -3.738 0.000 -0.521) 3.774 22.607 ( 3.738 0.000 0.521) 3.774 22.783 ( 1.854 0.000 -2.396) 3.029 22.783 ( -1.853 0.000 2.396) 3.029 23.563 ( 1.030 0.000 -0.796) 1.302 23.563 ( -1.028 0.000 0.796) 1.300 23.726 ( -0.539 0.000 0.114) 0.552 23.726 ( 0.540 0.000 -0.114) 0.552 23.851 ( 1.109 0.000 -1.263) 1.681 23.851 ( -1.109 0.000 1.263) 1.681 24.218 ( 0.567 0.000 -2.940) 2.994 24.218 ( -0.566 0.000 2.940) 2.994 24.395 ( -0.714 0.000 -1.174) 1.374 24.395 ( 0.714 0.000 1.174) 1.374 25.072 ( -2.216 0.000 -0.588) 2.292 25.072 ( 2.218 0.000 0.588) 2.294 ======================= Grid point 159 (71/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 1.823 5.579 -10.405) 11.946 0.882 ( -1.823 5.579 10.405) 11.946 0.963 ( -1.434 5.776 -11.351) 12.817 0.963 ( 1.434 5.776 11.351) 12.817 1.371 ( 2.586 4.248 -15.601) 16.374 1.371 ( -2.586 4.248 15.601) 16.374 1.457 ( 1.292 0.354 -3.903) 4.126 1.457 ( -1.292 0.354 3.903) 4.127 1.728 ( -3.678 4.312 1.205) 5.794 1.728 ( 3.678 4.312 -1.205) 5.794 1.923 ( -0.137 -4.693 -2.087) 5.138 1.923 ( 0.137 -4.693 2.087) 5.138 2.151 ( 0.232 -0.694 -3.139) 3.224 2.151 ( -0.232 -0.694 3.139) 3.224 2.259 ( -0.407 3.811 -7.964) 8.838 2.259 ( 0.407 3.811 7.964) 8.838 2.500 ( -1.457 -4.300 -7.292) 8.590 2.500 ( 1.457 -4.300 7.293) 8.590 2.762 ( 0.739 -0.523 -3.986) 4.087 2.762 ( -0.739 -0.523 3.986) 4.087 2.905 ( 4.190 -4.945 -5.235) 8.331 2.905 ( -4.190 -4.945 5.235) 8.331 3.049 ( 0.463 -1.600 -3.593) 3.961 3.049 ( -0.463 -1.600 3.594) 3.961 3.468 ( -3.252 4.196 -4.153) 6.740 3.468 ( 3.252 4.196 4.153) 6.740 3.497 ( -5.330 4.252 -2.742) 7.349 3.497 ( 5.330 4.252 2.742) 7.349 3.708 ( 0.561 2.181 -1.726) 2.838 3.708 ( -0.561 2.181 1.726) 2.838 3.974 ( -4.239 -5.222 -0.768) 6.770 3.974 ( 4.239 -5.222 0.768) 6.770 4.106 ( 3.310 -1.992 -2.629) 4.673 4.106 ( -3.310 -1.992 2.629) 4.673 4.320 ( 1.257 -4.561 -1.061) 4.849 4.320 ( -1.257 -4.561 1.061) 4.849 4.634 ( -2.738 -1.029 -1.047) 3.107 4.634 ( 2.738 -1.029 1.047) 3.107 4.785 ( 1.317 -3.697 -7.734) 8.673 4.785 ( -1.317 -3.697 7.734) 8.673 4.894 ( -0.426 3.789 -2.044) 4.327 4.894 ( 0.426 3.789 2.044) 4.327 5.262 ( 1.180 0.769 -4.889) 5.088 5.262 ( -1.180 0.769 4.889) 5.088 5.591 ( -0.122 -3.865 -4.521) 5.949 5.591 ( 0.122 -3.865 4.521) 5.949 5.718 ( 2.954 -1.839 -8.292) 8.993 5.718 ( -2.954 -1.839 8.292) 8.993 5.881 ( 4.723 8.539 -5.782) 11.342 5.881 ( -4.723 8.539 5.783) 11.342 6.240 ( 3.025 8.004 -6.723) 10.882 6.240 ( -3.025 8.004 6.723) 10.882 6.688 ( 1.459 -1.883 -5.095) 5.624 6.688 ( -1.459 -1.883 5.095) 5.624 7.097 ( 1.461 -4.715 -5.296) 7.240 7.097 ( -1.461 -4.715 5.296) 7.240 7.236 ( -2.496 3.079 0.354) 3.979 7.236 ( 2.496 3.079 -0.354) 3.980 7.377 ( 4.851 -0.647 -5.106) 7.073 7.377 ( -4.851 -0.647 5.106) 7.073 7.627 ( 4.961 -5.361 -6.098) 9.515 7.627 ( -4.961 -5.361 6.098) 9.515 7.842 ( -3.298 -4.890 -2.162) 6.282 7.842 ( 3.298 -4.890 2.163) 6.282 8.216 ( -2.883 -3.854 -3.321) 5.847 8.216 ( 2.883 -3.854 3.321) 5.847 8.477 ( -1.948 -11.763 -2.036) 12.096 8.477 ( 1.948 -11.763 2.036) 12.096 8.615 ( 1.565 -2.973 -3.395) 4.776 8.615 ( -1.565 -2.973 3.395) 4.776 8.953 ( 1.029 -2.712 -4.468) 5.327 8.953 ( -1.029 -2.712 4.468) 5.327 9.239 ( 1.122 5.350 -1.447) 5.655 9.239 ( -1.122 5.350 1.447) 5.655 9.848 ( -7.774 1.665 0.401) 7.960 9.848 ( 7.774 1.665 -0.401) 7.960 10.063 ( -7.165 0.879 -0.354) 7.227 10.063 ( 7.165 0.879 0.354) 7.227 10.331 ( 1.157 12.707 -0.688) 12.778 10.331 ( -1.157 12.707 0.688) 12.778 10.592 ( -0.274 2.751 -1.015) 2.945 10.592 ( 0.274 2.751 1.015) 2.945 11.041 ( -6.116 2.647 0.925) 6.728 11.041 ( 6.116 2.647 -0.925) 6.728 11.325 ( -4.288 6.705 -2.322) 8.290 11.325 ( 4.288 6.705 2.322) 8.290 11.719 ( 0.723 6.521 -6.277) 9.080 11.719 ( -0.723 6.521 6.277) 9.080 12.197 ( 1.422 1.464 -4.102) 4.582 12.197 ( -1.422 1.464 4.102) 4.582 12.807 ( 0.646 -2.291 -10.480) 10.747 12.807 ( -0.646 -2.291 10.480) 10.747 13.327 ( 5.724 -2.019 -4.818) 7.750 13.327 ( -5.724 -2.019 4.818) 7.750 13.608 ( 0.382 -4.154 -1.846) 4.562 13.608 ( -0.382 -4.154 1.846) 4.562 13.746 ( -3.371 -0.255 -3.056) 4.557 13.746 ( 3.371 -0.255 3.056) 4.557 13.832 ( 0.016 -4.609 -1.475) 4.840 13.832 ( -0.016 -4.609 1.475) 4.840 15.625 ( 0.219 1.045 -2.365) 2.595 15.625 ( -0.219 1.045 2.365) 2.595 16.310 ( -0.150 -0.875 -0.226) 0.917 16.310 ( 0.150 -0.875 0.226) 0.917 20.717 ( 0.712 1.412 -1.583) 2.237 20.717 ( -0.712 1.412 1.583) 2.237 20.807 ( 0.404 0.776 -2.066) 2.244 20.807 ( -0.404 0.776 2.066) 2.244 21.208 ( 0.073 -1.994 -6.292) 6.601 21.208 ( -0.073 -1.994 6.292) 6.601 21.609 ( 0.782 -1.049 -1.908) 2.314 21.609 ( -0.782 -1.049 1.908) 2.314 22.013 ( 1.025 1.605 -5.628) 5.942 22.013 ( -1.025 1.605 5.628) 5.942 22.160 ( -0.611 -0.979 -1.494) 1.888 22.160 ( 0.611 -0.979 1.494) 1.888 22.696 ( -0.710 1.243 -5.814) 5.988 22.696 ( 0.710 1.243 5.814) 5.988 22.890 ( 1.643 -1.352 -5.630) 6.019 22.890 ( -1.643 -1.352 5.630) 6.019 23.619 ( 0.289 3.177 -0.999) 3.343 23.619 ( -0.289 3.177 0.999) 3.343 23.788 ( -1.321 0.832 0.395) 1.610 23.788 ( 1.321 0.832 -0.395) 1.610 23.897 ( -1.545 0.529 0.380) 1.676 23.897 ( 1.545 0.529 -0.380) 1.676 24.113 ( -0.092 -2.845 -0.861) 2.974 24.113 ( 0.092 -2.845 0.861) 2.974 24.371 ( -0.256 1.108 -3.076) 3.279 24.371 ( 0.256 1.108 3.076) 3.279 24.696 ( -0.362 -2.344 -5.246) 5.757 24.696 ( 0.362 -2.344 5.246) 5.757 ======================= Grid point 161 (72/88) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 7.714 3.187 -14.547) 16.771 0.923 ( 1.813 6.357 1.341) 6.745 0.972 ( 7.174 6.831 -0.768) 9.936 1.104 ( 2.905 8.463 12.744) 15.571 1.348 ( 7.144 1.191 -11.919) 13.947 1.434 ( -0.806 1.282 4.657) 4.897 1.457 ( -0.631 1.508 4.977) 5.239 1.488 ( 5.006 -0.275 -3.483) 6.105 1.684 ( -1.579 1.842 0.731) 2.534 1.796 ( 3.910 8.090 -2.564) 9.344 1.866 ( -2.099 -7.984 0.230) 8.258 1.958 ( 1.375 -1.738 -2.099) 3.052 2.126 ( 0.912 -0.395 -4.778) 4.880 2.153 ( -2.339 2.585 1.300) 3.720 2.219 ( 0.812 0.510 -4.088) 4.199 2.301 ( -2.897 0.642 6.061) 6.749 2.426 ( 1.202 1.277 0.446) 1.810 2.571 ( 0.130 -3.692 0.069) 3.695 2.738 ( -2.054 4.911 3.237) 6.230 2.789 ( 2.486 -3.876 -1.966) 5.007 2.839 ( -3.964 -8.286 4.200) 10.100 3.005 ( 6.048 -3.724 -0.972) 7.168 3.028 ( -0.436 -4.923 -0.282) 4.950 3.079 ( 2.022 2.317 -1.225) 3.310 3.303 ( -5.786 1.241 -4.923) 7.698 3.437 ( -1.120 6.463 -1.913) 6.833 3.527 ( 0.557 8.527 4.186) 9.515 3.613 ( -5.122 2.054 5.994) 8.148 3.673 ( 6.685 0.446 3.927) 7.766 3.778 ( 1.183 -1.775 1.158) 2.427 3.892 ( -2.295 -2.827 -3.555) 5.089 4.048 ( 3.795 -4.239 -1.006) 5.778 4.085 ( 0.986 -3.341 -0.946) 3.610 4.168 ( 4.611 -1.342 -3.702) 6.063 4.307 ( -1.069 -3.178 0.575) 3.402 4.336 ( 1.280 -6.926 -1.410) 7.183 4.546 ( -6.201 -0.301 3.403) 7.080 4.673 ( 2.044 -4.390 -2.230) 5.331 4.756 ( 1.266 -3.178 -2.715) 4.368 4.886 ( 5.593 -3.082 1.024) 6.468 4.897 ( 1.965 5.858 1.396) 6.334 4.957 ( 4.217 2.529 1.289) 5.084 5.237 ( 0.608 0.091 -5.584) 5.618 5.270 ( -1.388 -0.829 3.642) 3.985 5.557 ( -0.314 0.857 -2.264) 2.441 5.602 ( -5.215 -6.443 9.059) 12.279 5.713 ( 2.966 0.566 -4.899) 5.755 5.750 ( 1.062 -3.023 1.973) 3.763 5.837 ( -2.527 7.595 1.705) 8.184 5.923 ( 4.519 8.529 -6.503) 11.638 6.216 ( -1.634 9.255 1.356) 9.496 6.266 ( 2.083 6.489 -1.811) 7.051 6.661 ( -0.582 -2.411 -4.129) 4.817 6.688 ( -2.348 -2.038 4.206) 5.231 7.038 ( -4.049 -2.680 0.753) 4.914 7.111 ( -4.705 -1.419 3.862) 6.250 7.170 ( -2.610 0.362 2.679) 3.757 7.268 ( -1.337 -0.000 2.148) 2.530 7.326 ( -2.443 1.977 0.307) 3.158 7.417 ( 2.598 -3.574 -3.898) 5.892 7.547 ( -2.802 -1.996 0.521) 3.480 7.718 ( 5.119 -3.867 -4.802) 8.014 7.774 ( -0.178 -3.628 -3.680) 5.171 7.893 ( -0.208 -8.397 3.904) 9.263 8.164 ( -0.561 -4.679 -1.825) 5.053 8.300 ( 3.244 -4.209 3.652) 6.448 8.428 ( -1.401 -12.116 -3.068) 12.577 8.517 ( 1.220 -9.413 -0.408) 9.500 8.585 ( -1.869 -4.165 3.284) 5.624 8.656 ( 2.505 -3.010 -0.644) 3.969 8.916 ( -2.200 -2.739 0.335) 3.529 8.992 ( 1.876 -2.363 0.787) 3.118 9.228 ( -1.230 4.234 1.191) 4.567 9.251 ( 1.290 6.159 -1.214) 6.408 9.707 ( -7.590 1.728 -0.181) 7.786 9.877 ( -6.370 2.494 -0.608) 6.868 10.037 ( 6.671 -0.454 0.066) 6.687 10.198 ( 6.475 2.660 1.181) 7.099 10.322 ( 0.075 11.853 0.811) 11.881 10.346 ( 0.958 12.029 -0.396) 12.074 10.561 ( -0.889 1.513 0.396) 1.799 10.652 ( 4.182 3.498 -1.203) 5.583 10.949 ( -4.894 5.929 1.342) 7.804 11.132 ( 2.830 -2.383 -1.770) 4.101 11.255 ( 0.074 11.653 -1.110) 11.706 11.421 ( 4.637 2.511 1.364) 5.447 11.682 ( 0.015 7.748 -5.520) 9.514 11.743 ( -1.622 6.949 6.083) 9.376 12.173 ( -1.459 0.584 0.995) 1.860 12.228 ( 2.416 2.460 -0.638) 3.507 12.729 ( -1.369 -1.189 -9.366) 9.540 12.858 ( -1.830 -3.209 10.901) 11.510 13.282 ( -2.836 -3.402 4.660) 6.429 13.411 ( 6.367 -0.743 -5.014) 8.138 13.559 ( -3.384 -4.759 -2.236) 6.252 13.604 ( -2.074 -3.810 0.712) 4.396 13.643 ( -3.748 -1.397 -1.216) 4.180 13.728 ( -3.672 -0.503 1.049) 3.852 13.894 ( 5.790 -4.367 -2.358) 7.626 13.923 ( 6.223 -4.006 1.167) 7.492 15.621 ( 1.142 1.184 -1.990) 2.582 15.647 ( 0.786 0.955 2.087) 2.426 16.290 ( -1.765 -0.938 -0.138) 2.004 16.301 ( -1.316 -0.747 0.113) 1.517 20.696 ( -1.790 1.102 0.491) 2.159 20.721 ( 0.142 1.651 -0.484) 1.726 20.800 ( 0.537 0.786 -1.922) 2.145 20.807 ( -1.312 0.374 1.487) 2.018 21.190 ( 2.926 -1.390 -5.280) 6.194 21.266 ( 1.596 -2.408 5.041) 5.811 21.622 ( 0.931 -0.893 1.206) 1.766 21.623 ( 1.566 -0.565 -0.308) 1.693 22.000 ( 1.613 1.079 -4.370) 4.781 22.041 ( -0.401 1.394 5.109) 5.311 22.136 ( -0.753 -0.007 -1.504) 1.682 22.179 ( 0.541 -1.400 0.975) 1.790 22.638 ( -1.246 1.299 -5.266) 5.565 22.742 ( -0.204 1.056 5.468) 5.573 22.865 ( 0.213 -2.048 -5.732) 6.091 22.890 ( -2.285 -0.729 4.179) 4.818 23.620 ( 0.523 3.325 -0.435) 3.394 23.628 ( 0.470 2.833 0.782) 2.976 23.755 ( -2.340 1.584 0.351) 2.847 23.803 ( 0.408 0.757 -2.075) 2.246 23.860 ( -2.243 0.747 1.734) 2.931 23.919 ( 0.804 0.095 -0.293) 0.861 24.129 ( 1.875 -2.614 -0.163) 3.222 24.147 ( 3.104 -3.116 0.045) 4.399 24.345 ( -0.193 1.618 -2.135) 2.686 24.402 ( 0.731 0.892 2.303) 2.576 24.670 ( 1.625 -2.374 -4.786) 5.584 24.755 ( 2.349 -3.079 4.615) 6.025 ======================= Grid point 162 (73/88) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 10.113 3.284 -10.108) 14.671 1.002 ( 4.104 1.417 2.973) 5.263 1.110 ( 9.999 7.130 -5.883) 13.617 1.234 ( 2.812 7.188 9.668) 12.371 1.388 ( 1.126 -0.166 -2.213) 2.489 1.433 ( -0.580 -1.019 0.637) 1.335 1.513 ( 3.713 0.275 0.851) 3.819 1.575 ( 6.406 0.328 -1.786) 6.659 1.681 ( 0.549 1.383 1.126) 1.866 1.810 ( 2.357 0.684 -2.309) 3.370 1.869 ( 0.051 -0.536 -0.419) 0.682 1.945 ( -0.457 0.170 -3.591) 3.624 2.086 ( -3.574 5.451 1.747) 6.748 2.137 ( -0.507 -1.975 -0.092) 2.041 2.210 ( 1.138 3.010 -0.982) 3.365 2.311 ( 2.368 -0.423 1.867) 3.045 2.502 ( 4.745 1.929 -1.736) 5.408 2.537 ( 0.922 -3.552 -6.842) 7.764 2.734 ( -0.732 4.806 1.505) 5.089 2.773 ( -2.503 -5.022 3.671) 6.705 2.865 ( 2.853 -1.983 1.939) 3.979 3.028 ( -1.107 -5.099 3.303) 6.176 3.077 ( -1.158 0.403 -0.731) 1.427 3.091 ( 4.403 -0.651 -3.055) 5.398 3.269 ( 4.334 1.105 1.833) 4.834 3.431 ( -0.268 4.479 3.608) 5.758 3.552 ( 0.585 8.559 0.941) 8.631 3.615 ( 0.639 0.915 5.382) 5.496 3.729 ( -3.266 -2.640 -2.740) 5.014 3.804 ( 2.910 -3.198 4.026) 5.908 3.889 ( 3.730 -0.531 -2.433) 4.484 4.075 ( -0.888 -0.060 0.894) 1.262 4.113 ( 4.186 -6.699 -5.976) 9.905 4.210 ( 3.485 -1.008 -4.586) 5.848 4.282 ( -2.187 -3.240 1.035) 4.044 4.329 ( -1.746 -8.704 0.379) 8.886 4.475 ( -4.955 1.014 4.634) 6.860 4.712 ( 6.600 -4.291 -9.117) 12.046 4.756 ( 0.430 -7.032 -1.912) 7.300 4.951 ( -2.196 -3.627 9.336) 10.254 4.980 ( 7.236 7.801 -4.925) 11.725 5.050 ( 4.473 2.321 1.503) 5.259 5.215 ( 2.092 -1.793 -6.691) 7.237 5.271 ( -2.491 -3.566 6.970) 8.216 5.539 ( -4.756 2.590 6.554) 8.502 5.558 ( -3.313 0.227 3.737) 4.999 5.725 ( 2.553 -0.492 -6.505) 7.005 5.777 ( 1.213 1.522 -1.629) 2.538 5.822 ( 0.242 1.847 0.365) 1.898 5.959 ( 5.242 7.255 -6.848) 11.270 6.200 ( -0.747 9.511 -0.467) 9.551 6.289 ( 1.592 5.321 -0.700) 5.598 6.605 ( -2.658 -3.486 -3.708) 5.741 6.663 ( -4.387 -2.990 5.469) 7.622 6.948 ( -8.112 3.600 4.322) 9.872 7.032 ( -5.791 0.534 4.407) 7.297 7.138 ( -4.001 -2.304 2.239) 5.131 7.258 ( 0.382 -1.957 -1.587) 2.549 7.282 ( -2.783 2.428 2.517) 4.470 7.420 ( -0.645 -5.977 0.684) 6.050 7.536 ( 1.417 2.460 -2.143) 3.557 7.714 ( -0.304 0.165 -1.086) 1.140 7.813 ( 8.087 -4.854 -13.421) 16.404 7.899 ( -2.820 -10.663 6.647) 12.878 8.169 ( 1.518 -7.490 0.381) 7.652 8.357 ( -0.310 -9.923 1.862) 10.101 8.395 ( 1.010 -7.525 -3.085) 8.195 8.509 ( -0.061 -5.795 -2.279) 6.228 8.605 ( 0.046 -6.071 5.026) 7.881 8.693 ( 2.123 -2.906 -0.715) 3.669 8.881 ( -2.608 -2.636 2.379) 4.406 9.029 ( 1.916 -1.993 -0.090) 2.767 9.211 ( -1.400 3.456 0.853) 3.825 9.268 ( 1.239 6.619 -0.769) 6.777 9.579 ( -6.235 2.213 -0.569) 6.641 9.741 ( -7.587 1.740 -0.065) 7.785 10.172 ( 7.456 1.023 -0.469) 7.540 10.298 ( 3.622 7.657 2.032) 8.710 10.351 ( 1.946 9.997 -0.013) 10.184 10.379 ( 3.867 6.597 0.475) 7.661 10.562 ( 0.587 -0.022 0.007) 0.588 10.714 ( 3.645 3.698 -1.650) 5.449 10.880 ( -4.208 7.818 1.493) 9.003 11.082 ( -4.254 4.513 -2.237) 6.594 11.341 ( 6.998 3.986 0.468) 8.068 11.503 ( 3.581 -0.406 -0.188) 3.609 11.651 ( 0.958 10.020 -4.552) 11.047 11.744 ( -2.764 8.642 5.000) 10.359 12.161 ( -1.137 0.191 2.520) 2.772 12.280 ( 4.418 2.612 -2.164) 5.570 12.639 ( -1.565 -0.687 -6.967) 7.173 12.900 ( -2.228 -4.025 10.904) 11.835 13.275 ( -1.622 -4.458 2.510) 5.366 13.420 ( -1.235 1.680 -4.283) 4.764 13.503 ( -5.130 -7.150 0.435) 8.811 13.553 ( 1.654 -2.139 -1.884) 3.296 13.616 ( 0.226 -2.000 -1.294) 2.393 13.679 ( -2.789 -0.547 1.429) 3.181 13.972 ( 5.751 -4.538 -4.570) 8.634 14.036 ( 4.487 -5.119 2.281) 7.179 15.639 ( 2.277 1.285 -1.562) 3.046 15.681 ( 1.512 0.970 1.750) 2.508 16.247 ( -2.927 -0.955 -0.125) 3.081 16.265 ( -2.684 -0.582 0.124) 2.749 20.665 ( -1.995 0.735 0.698) 2.238 20.718 ( 0.170 1.842 -1.063) 2.133 20.781 ( -2.426 -0.284 1.332) 2.782 20.797 ( 0.662 0.869 -2.060) 2.332 21.235 ( 5.075 -1.096 -3.386) 6.199 21.328 ( 1.745 -2.402 3.725) 4.764 21.654 ( 2.041 0.120 -0.086) 2.046 21.655 ( 1.487 -0.246 1.110) 1.872 22.011 ( 2.288 0.049 -2.697) 3.537 22.065 ( -0.225 0.378 2.843) 2.877 22.118 ( -0.340 1.527 -0.031) 1.564 22.194 ( 0.635 -1.359 0.248) 1.521 22.582 ( -1.110 1.071 -4.097) 4.378 22.762 ( -1.434 0.799 4.074) 4.393 22.820 ( -0.713 -2.683 -5.300) 5.983 22.870 ( -2.984 -0.322 3.683) 4.751 23.629 ( 0.626 3.526 -0.416) 3.605 23.650 ( 1.183 1.860 1.137) 2.480 23.713 ( -2.540 3.111 0.684) 4.074 23.766 ( -1.708 1.806 -2.011) 3.197 23.855 ( -0.334 0.186 1.298) 1.353 23.918 ( -0.578 0.005 -0.504) 0.767 24.163 ( 1.307 -2.370 1.009) 2.889 24.206 ( 3.307 -3.075 -1.480) 4.752 24.338 ( 0.688 1.835 -1.097) 2.246 24.427 ( 0.398 1.348 1.794) 2.279 24.696 ( 4.823 -3.673 -3.436) 6.969 24.843 ( 4.289 -4.230 3.008) 6.733 ======================= Grid point 163 (74/88) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 5.874 1.789 -2.843) 6.767 1.089 ( 3.979 -2.326 0.411) 4.628 1.222 ( 5.039 4.988 -2.833) 7.635 1.304 ( -1.752 4.799 4.288) 6.670 1.388 ( 2.856 -1.380 -2.766) 4.208 1.445 ( 1.312 -1.166 1.546) 2.339 1.568 ( 2.039 -2.853 0.482) 3.539 1.665 ( 4.095 4.148 -3.526) 6.812 1.737 ( 4.107 1.086 1.247) 4.427 1.844 ( 1.183 1.565 -2.158) 2.917 1.872 ( -0.024 1.885 -0.659) 1.997 1.898 ( -0.139 -3.059 1.390) 3.363 2.061 ( -1.332 4.339 4.839) 6.635 2.119 ( -2.024 0.312 1.414) 2.488 2.206 ( -0.961 2.582 0.207) 2.763 2.400 ( 3.763 1.424 -3.517) 5.344 2.522 ( 6.888 -3.365 -5.826) 9.628 2.581 ( 2.745 0.101 1.409) 3.087 2.756 ( 2.479 -2.420 0.191) 3.469 2.778 ( 2.711 4.805 -0.643) 5.555 2.941 ( 2.366 -2.375 1.736) 3.775 3.022 ( -2.140 -1.465 4.508) 5.201 3.066 ( 1.911 1.392 0.528) 2.422 3.169 ( 5.735 -0.453 -0.623) 5.786 3.397 ( 4.033 0.012 5.483) 6.806 3.473 ( 1.620 4.173 5.399) 7.013 3.567 ( 1.709 5.378 -6.105) 8.314 3.633 ( -1.024 -1.810 -2.183) 3.014 3.698 ( 2.174 -0.090 3.666) 4.263 3.873 ( 2.176 -3.677 3.329) 5.417 3.941 ( 3.182 1.502 -3.284) 4.813 4.032 ( -3.358 -0.230 -1.242) 3.588 4.136 ( 2.991 -6.807 -5.742) 9.394 4.226 ( 0.601 -3.111 -2.642) 4.126 4.262 ( -0.728 -2.245 2.915) 3.751 4.298 ( -0.786 -6.907 -1.063) 7.032 4.428 ( -4.276 2.129 5.184) 7.049 4.719 ( 0.024 -6.817 -6.894) 9.696 4.775 ( 5.240 -5.881 -8.424) 11.533 4.940 ( -6.313 -7.627 10.752) 14.616 5.079 ( 7.495 7.782 -5.116) 11.955 5.122 ( 2.605 4.015 0.939) 4.877 5.216 ( 2.227 -3.287 -4.481) 5.987 5.282 ( -3.792 -4.338 11.211) 12.605 5.480 ( -7.663 3.848 10.575) 13.614 5.525 ( -1.688 4.034 -3.051) 5.332 5.725 ( 2.222 2.285 -4.108) 5.200 5.771 ( 2.637 1.396 -7.351) 7.934 5.840 ( 0.536 0.884 0.561) 1.176 6.026 ( 7.865 3.455 -7.018) 11.093 6.170 ( -2.267 7.670 -1.510) 8.139 6.316 ( 1.566 4.892 0.305) 5.146 6.512 ( -5.930 -4.892 -0.021) 7.687 6.603 ( -6.839 -3.494 5.786) 9.616 6.838 ( -6.796 7.535 4.597) 11.140 6.950 ( -6.491 4.763 2.864) 8.545 7.100 ( -0.937 -2.443 2.011) 3.300 7.235 ( 0.219 0.054 -3.920) 3.927 7.295 ( -0.258 -1.660 5.408) 5.662 7.410 ( -0.917 -5.699 0.513) 5.795 7.550 ( 0.365 3.990 1.582) 4.308 7.701 ( 0.340 2.575 -4.169) 4.911 7.848 ( 6.855 -8.046 -13.600) 17.225 7.897 ( -2.401 -8.799 5.992) 10.913 8.217 ( 2.507 -10.644 2.044) 11.125 8.341 ( -0.295 -12.016 -1.221) 12.081 8.386 ( -0.831 -7.057 -2.134) 7.419 8.502 ( 0.562 -5.531 -2.137) 5.956 8.642 ( 0.219 -5.476 4.649) 7.186 8.719 ( 1.189 -1.573 -0.664) 2.081 8.865 ( -1.528 -2.479 4.243) 5.146 9.052 ( 0.827 -2.590 -1.576) 3.143 9.193 ( -0.994 4.503 0.757) 4.673 9.279 ( 0.263 6.849 -0.643) 6.884 9.482 ( -3.949 2.456 -0.489) 4.676 9.616 ( -6.183 1.407 0.040) 6.342 10.287 ( 5.789 4.238 -0.182) 7.176 10.384 ( 4.652 5.637 1.074) 7.388 10.397 ( 3.643 9.055 0.424) 9.770 10.466 ( 4.386 3.813 0.671) 5.850 10.573 ( 0.632 -1.552 -0.341) 1.710 10.750 ( 0.868 2.892 -0.941) 3.162 10.814 ( -3.471 9.420 0.104) 10.039 10.984 ( -5.202 7.420 -0.902) 9.107 11.464 ( 5.207 1.124 1.078) 5.435 11.536 ( 1.410 4.051 -1.205) 4.455 11.669 ( 4.011 6.018 -3.908) 8.221 11.718 ( -3.202 10.379 3.377) 11.374 12.171 ( -0.178 0.007 3.511) 3.515 12.333 ( 3.221 1.829 -4.975) 6.203 12.604 ( 2.510 -1.028 -2.608) 3.763 12.927 ( -3.280 -5.030 9.923) 11.599 13.234 ( -2.321 -2.601 -3.252) 4.768 13.384 ( -6.169 -6.973 1.521) 9.434 13.404 ( -0.387 1.830 0.810) 2.039 13.576 ( 1.697 -0.635 -5.100) 5.412 13.612 ( -0.243 -2.895 0.764) 3.005 13.656 ( -0.962 -1.498 2.034) 2.703 14.036 ( 5.268 -5.562 -5.098) 9.202 14.109 ( 1.627 -5.942 2.627) 6.697 15.679 ( 3.172 1.299 -1.115) 3.605 15.724 ( 1.848 1.099 1.340) 2.533 16.188 ( -3.350 -0.958 -0.122) 3.486 16.210 ( -3.465 -0.461 0.140) 3.499 20.640 ( -1.444 0.514 1.326) 2.027 20.707 ( -0.209 1.725 -2.347) 2.920 20.753 ( -1.814 -0.587 2.375) 3.045 20.792 ( 0.474 1.012 -2.216) 2.482 21.308 ( 4.779 -1.100 -1.927) 5.268 21.378 ( 1.278 -2.005 2.415) 3.389 21.685 ( 1.418 0.608 -0.092) 1.546 21.689 ( 1.429 0.354 0.560) 1.575 22.039 ( 1.888 -1.016 -0.652) 2.241 22.076 ( 0.353 0.222 0.970) 1.056 22.125 ( 0.573 1.779 0.547) 1.947 22.203 ( 0.500 -1.064 -0.753) 1.396 22.547 ( -0.029 0.656 -2.258) 2.351 22.744 ( -2.868 0.361 1.462) 3.239 22.773 ( -0.822 -2.905 -3.413) 4.556 22.837 ( -3.352 -0.315 3.385) 4.774 23.628 ( -0.543 4.012 -0.182) 4.053 23.666 ( -1.528 2.116 0.839) 2.742 23.692 ( 0.857 3.292 0.373) 3.422 23.740 ( -0.035 1.827 -0.835) 2.010 23.855 ( -0.212 0.566 0.308) 0.678 23.898 ( -1.159 0.596 -0.206) 1.319 24.186 ( 0.087 -1.917 1.954) 2.739 24.230 ( 1.151 -2.120 -2.617) 3.559 24.353 ( 1.343 1.289 -0.032) 1.862 24.438 ( -0.314 1.908 0.903) 2.134 24.793 ( 7.495 -5.601 -1.586) 9.490 24.940 ( 4.430 -5.506 1.207) 7.169 ======================= Grid point 164 (75/88) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 3.375 1.323 -0.673) 3.687 1.158 ( 3.401 -3.561 1.152) 5.057 1.232 ( -1.980 1.981 0.322) 2.820 1.274 ( -2.380 0.942 0.501) 2.608 1.454 ( 4.710 0.629 -1.734) 5.059 1.483 ( 1.274 1.500 0.542) 2.041 1.605 ( 1.328 -4.163 2.186) 4.886 1.677 ( 1.885 1.703 -4.658) 5.306 1.751 ( -3.146 1.331 1.451) 3.711 1.805 ( -2.431 -1.879 -2.620) 4.037 1.897 ( 4.331 0.597 -1.115) 4.512 1.978 ( 5.222 1.111 -0.161) 5.342 2.041 ( -4.487 5.663 2.373) 7.605 2.123 ( -1.091 3.357 2.035) 4.075 2.220 ( 2.436 -0.495 4.299) 4.966 2.379 ( -0.809 2.911 -4.907) 5.763 2.626 ( 3.708 -3.458 1.263) 5.225 2.641 ( 1.860 -3.134 2.720) 4.547 2.803 ( 4.904 -2.030 -3.612) 6.420 2.883 ( 4.272 4.379 4.012) 7.316 2.980 ( 2.455 -2.689 1.659) 4.001 3.008 ( -0.584 -0.228 2.073) 2.166 3.145 ( 4.727 4.221 -1.617) 6.540 3.262 ( 2.194 -1.590 0.539) 2.763 3.424 ( 0.456 -2.139 -4.970) 5.430 3.514 ( -0.908 2.662 1.962) 3.429 3.588 ( 5.123 0.035 -0.450) 5.143 3.642 ( 0.881 7.967 1.622) 8.178 3.763 ( 1.172 -3.945 3.956) 5.709 3.893 ( -4.454 4.560 -1.485) 6.545 3.948 ( 3.806 -2.484 -1.618) 4.825 4.000 ( 1.528 -2.830 -2.597) 4.134 4.145 ( 2.085 -6.196 -4.142) 7.739 4.198 ( -2.995 -3.938 2.154) 5.396 4.293 ( 1.198 -3.425 0.361) 3.647 4.304 ( 3.609 1.231 -1.786) 4.211 4.395 ( -3.207 0.336 5.953) 6.770 4.627 ( -5.443 -6.781 -5.693) 10.393 4.803 ( 5.743 -6.266 -9.886) 13.038 4.897 ( -7.267 -9.185 11.884) 16.686 5.151 ( 5.270 5.521 -6.867) 10.267 5.179 ( 3.163 1.331 -0.140) 3.435 5.231 ( 1.241 -3.163 0.050) 3.398 5.273 ( -6.306 0.336 11.231) 12.884 5.426 ( -3.195 5.136 2.302) 6.472 5.464 ( -3.150 5.429 -0.156) 6.279 5.749 ( 2.577 4.036 -1.758) 5.101 5.792 ( 4.914 -0.657 -6.311) 8.025 5.840 ( 1.032 1.373 -2.671) 3.175 6.065 ( -7.879 0.550 3.434) 8.612 6.154 ( 9.977 2.682 -8.826) 13.588 6.346 ( 0.683 4.766 0.757) 4.874 6.414 ( -5.239 -4.283 2.673) 7.276 6.505 ( -7.859 -1.216 4.900) 9.341 6.784 ( -2.381 8.735 3.240) 9.616 6.857 ( -4.543 7.775 -0.049) 9.005 7.126 ( 0.991 -1.816 3.788) 4.317 7.212 ( 0.320 -0.348 -4.734) 4.757 7.332 ( -0.099 -2.882 5.624) 6.320 7.394 ( -0.438 -5.223 -1.774) 5.533 7.575 ( -0.322 4.701 5.425) 7.186 7.664 ( 0.105 4.354 -6.757) 8.039 7.872 ( 4.122 -10.226 -7.520) 13.346 7.894 ( -1.344 -7.820 2.641) 8.363 8.271 ( 1.365 -11.936 2.432) 12.257 8.340 ( -0.454 -11.974 -2.151) 12.175 8.359 ( 1.731 -7.338 -1.236) 7.640 8.478 ( -2.003 -8.141 -1.385) 8.497 8.678 ( 1.035 -3.634 2.260) 4.403 8.725 ( -0.394 -1.221 0.259) 1.309 8.892 ( 0.863 -2.073 4.867) 5.360 9.025 ( -1.631 -2.902 -3.626) 4.922 9.197 ( 0.676 6.252 1.081) 6.381 9.263 ( -1.345 6.899 -0.971) 7.096 9.441 ( -0.419 2.195 0.136) 2.239 9.522 ( -4.260 1.228 -0.108) 4.435 10.388 ( 5.394 4.608 0.384) 7.105 10.461 ( 4.069 5.827 -0.771) 7.149 10.487 ( 4.215 3.939 1.597) 5.987 10.530 ( 2.424 4.364 -0.125) 4.993 10.577 ( 0.192 -1.988 -0.250) 2.013 10.698 ( -5.961 5.361 1.429) 8.143 10.792 ( 1.769 7.667 -3.263) 8.518 10.888 ( -5.359 8.399 0.969) 10.010 11.518 ( 1.254 8.297 0.454) 8.403 11.566 ( 0.942 6.612 -0.007) 6.679 11.695 ( -0.119 5.430 1.060) 5.534 11.711 ( 2.420 2.406 -2.331) 4.133 12.204 ( 0.853 0.116 4.109) 4.198 12.314 ( -0.377 0.923 -5.972) 6.055 12.691 ( 7.342 -2.165 -0.735) 7.690 12.909 ( -5.662 -5.489 6.799) 10.412 13.183 ( 0.091 -1.169 -3.281) 3.484 13.276 ( -5.488 -4.780 0.137) 7.279 13.438 ( 0.956 0.370 4.089) 4.216 13.540 ( -1.121 -0.186 -4.309) 4.457 13.626 ( 0.704 -2.741 1.105) 3.038 13.657 ( -0.239 -1.905 0.209) 1.931 14.088 ( 4.291 -6.469 -4.704) 9.076 14.134 ( -1.007 -6.486 3.164) 7.286 15.731 ( 3.109 1.286 -0.863) 3.473 15.761 ( 1.085 1.280 1.028) 1.968 16.133 ( -2.282 -0.929 -0.156) 2.468 16.150 ( -3.022 -0.503 0.156) 3.068 20.634 ( -0.521 0.474 2.102) 2.217 20.679 ( -0.720 0.937 -2.686) 2.934 20.752 ( -0.650 0.052 2.938) 3.010 20.782 ( 0.273 0.907 -2.641) 2.806 21.370 ( 3.203 -1.089 -1.136) 3.568 21.406 ( 0.233 -1.460 1.354) 2.005 21.704 ( 0.828 0.689 -0.119) 1.084 21.710 ( 0.570 0.826 0.134) 1.013 22.063 ( 0.893 -0.529 0.836) 1.333 22.093 ( 0.122 -0.366 1.071) 1.138 22.142 ( 1.702 0.811 -0.822) 2.056 22.198 ( -0.213 -0.897 -1.387) 1.665 22.555 ( 1.956 0.415 -0.231) 2.013 22.685 ( -3.958 0.332 -0.269) 3.981 22.749 ( 0.413 -2.794 -1.904) 3.407 22.798 ( -3.235 -0.925 2.461) 4.168 23.617 ( -0.270 4.738 -0.293) 4.755 23.638 ( -1.638 4.401 0.584) 4.732 23.715 ( 1.263 0.940 -0.339) 1.611 23.739 ( -0.311 1.000 0.418) 1.127 23.858 ( 0.759 1.528 -0.722) 1.852 23.880 ( -0.964 1.500 0.641) 1.895 24.197 ( -0.465 -1.407 2.475) 2.884 24.222 ( 0.312 -1.310 -2.816) 3.121 24.380 ( 1.377 1.075 0.445) 1.802 24.430 ( -0.941 1.846 0.026) 2.072 24.917 ( 6.326 -6.794 -0.220) 9.286 25.004 ( 1.850 -6.549 -0.001) 6.806 ======================= Grid point 165 (76/88) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 3.030 0.208 -1.416) 3.351 1.181 ( -3.025 0.212 1.412) 3.346 1.229 ( -0.503 -1.065 -2.870) 3.102 1.229 ( 0.508 -1.068 2.873) 3.106 1.492 ( 0.705 2.074 -0.900) 2.369 1.492 ( -0.704 2.074 0.900) 2.368 1.656 ( -1.523 -2.517 -2.379) 3.783 1.656 ( 1.525 -2.516 2.379) 3.784 1.743 ( -1.099 -0.978 -2.231) 2.672 1.743 ( 1.103 -0.979 2.231) 2.675 1.968 ( 3.792 3.438 -0.749) 5.174 1.968 ( -3.782 3.442 0.748) 5.168 2.070 ( -0.075 2.519 -1.913) 3.164 2.070 ( 0.083 2.515 1.913) 3.161 2.313 ( -2.936 2.406 -4.232) 5.685 2.313 ( 2.939 2.404 4.231) 5.685 2.666 ( 1.024 -4.167 -2.389) 4.912 2.666 ( -1.023 -4.170 2.391) 4.915 2.876 ( 4.035 -0.205 -4.684) 6.186 2.876 ( -4.030 -0.202 4.690) 6.186 3.046 ( 1.041 -1.157 -3.444) 3.779 3.046 ( -1.012 -1.150 3.455) 3.780 3.201 ( 3.782 2.134 1.732) 4.675 3.202 ( -3.764 2.121 -1.740) 4.658 3.473 ( 7.711 -1.659 -8.242) 11.408 3.473 ( -7.710 -1.657 8.236) 11.403 3.654 ( 1.942 5.470 -5.450) 7.962 3.654 ( -1.931 5.471 5.446) 7.957 3.806 ( -0.596 -0.116 -5.421) 5.455 3.806 ( 0.595 -0.112 5.419) 5.453 3.998 ( 1.961 -2.206 -5.938) 6.631 3.998 ( -1.951 -2.206 5.937) 6.627 4.161 ( 2.582 -4.821 -3.694) 6.600 4.161 ( -2.578 -4.819 3.694) 6.596 4.319 ( -2.587 3.316 3.713) 5.610 4.319 ( 2.597 3.316 -3.714) 5.615 4.468 ( -6.422 -6.008 -4.997) 10.115 4.468 ( 6.431 -6.010 4.998) 10.123 4.848 ( 6.978 -8.038 -10.406) 14.886 4.848 ( -6.975 -8.037 10.407) 14.885 5.195 ( 2.931 -1.424 -4.939) 5.917 5.195 ( -2.926 -1.426 4.936) 5.913 5.244 ( 0.147 3.067 -1.283) 3.328 5.244 ( -0.139 3.065 1.287) 3.327 5.418 ( 2.331 6.206 -3.153) 7.341 5.418 ( -2.329 6.208 3.156) 7.343 5.787 ( 0.568 3.802 -2.483) 4.577 5.787 ( -0.564 3.802 2.482) 4.576 5.921 ( 9.501 -2.581 -6.825) 11.979 5.921 ( -9.500 -2.579 6.823) 11.977 6.283 ( 9.062 0.004 -6.048) 10.895 6.283 ( -9.059 0.005 6.048) 10.892 6.418 ( -0.006 1.399 -0.891) 1.658 6.418 ( 0.007 1.400 0.891) 1.659 6.795 ( 0.795 8.615 -5.019) 10.002 6.795 ( -0.794 8.615 5.019) 10.002 7.174 ( -0.394 -0.985 -5.192) 5.299 7.174 ( 0.394 -0.985 5.191) 5.299 7.367 ( 2.259 -4.103 -8.207) 9.450 7.367 ( -2.257 -4.102 8.208) 9.449 7.616 ( 3.853 4.890 -13.577) 14.936 7.616 ( -3.850 4.891 13.577) 14.936 7.887 ( 5.324 -9.241 -13.244) 17.004 7.887 ( -5.320 -9.242 13.243) 17.003 8.305 ( 0.703 -10.950 -4.663) 11.922 8.305 ( -0.702 -10.950 4.663) 11.922 8.417 ( -1.975 -9.435 -1.793) 9.805 8.417 ( 1.976 -9.435 1.795) 9.805 8.709 ( 0.514 -2.149 -2.181) 3.105 8.709 ( -0.513 -2.150 2.180) 3.105 8.957 ( -0.594 -2.141 -6.706) 7.065 8.957 ( 0.597 -2.140 6.707) 7.065 9.226 ( -1.484 6.780 -1.175) 7.039 9.226 ( 1.485 6.780 1.176) 7.039 9.461 ( -2.145 1.565 -0.415) 2.688 9.461 ( 2.146 1.565 0.415) 2.688 10.471 ( -2.380 3.102 -1.047) 4.048 10.471 ( 2.381 3.102 1.047) 4.049 10.554 ( -1.342 2.102 -0.628) 2.572 10.554 ( 1.343 2.103 0.628) 2.573 10.599 ( -3.237 5.154 -0.617) 6.118 10.599 ( 3.237 5.154 0.617) 6.117 10.817 ( 3.644 8.045 -2.874) 9.288 10.817 ( -3.644 8.045 2.874) 9.288 11.548 ( 0.156 10.985 -2.471) 11.260 11.548 ( -0.152 10.985 2.471) 11.260 11.716 ( 1.138 0.660 -4.376) 4.569 11.716 ( -1.137 0.659 4.376) 4.569 12.257 ( -1.266 0.454 -4.965) 5.144 12.257 ( 1.267 0.453 4.965) 5.144 12.820 ( 1.332 -4.034 -2.027) 4.707 12.820 ( -1.331 -4.034 2.027) 4.706 13.200 ( 0.332 -2.563 -1.131) 2.821 13.200 ( -0.332 -2.563 1.132) 2.821 13.488 ( -1.045 -0.066 -4.419) 4.542 13.488 ( 1.047 -0.065 4.419) 4.541 13.646 ( -0.503 -2.245 -1.040) 2.525 13.646 ( 0.507 -2.245 1.041) 2.526 14.122 ( 2.927 -6.734 -4.056) 8.389 14.122 ( -2.926 -6.734 4.056) 8.388 15.767 ( 0.994 1.335 -1.032) 1.958 15.767 ( -0.994 1.335 1.032) 1.958 16.116 ( 0.061 -0.745 -0.329) 0.816 16.116 ( -0.061 -0.745 0.329) 0.816 20.650 ( -0.209 0.586 -2.724) 2.794 20.650 ( 0.210 0.586 2.724) 2.795 20.766 ( 0.402 0.544 -3.260) 3.330 20.766 ( -0.401 0.545 3.260) 3.329 21.404 ( 1.056 -1.125 -1.034) 1.858 21.404 ( -1.055 -1.126 1.033) 1.857 21.713 ( 0.106 0.830 -0.270) 0.879 21.713 ( -0.104 0.830 0.270) 0.879 22.085 ( -0.770 -0.179 -0.728) 1.075 22.085 ( 0.771 -0.179 0.729) 1.076 22.175 ( -1.430 -0.566 -0.864) 1.764 22.175 ( 1.433 -0.566 0.864) 1.766 22.610 ( -3.574 0.376 -0.811) 3.684 22.610 ( 3.574 0.376 0.811) 3.684 22.762 ( 2.106 -1.962 -1.553) 3.271 22.762 ( -2.106 -1.962 1.553) 3.271 23.619 ( 0.669 4.930 -1.489) 5.193 23.619 ( -0.668 4.931 1.489) 5.194 23.731 ( 0.793 0.506 -1.086) 1.437 23.731 ( -0.793 0.507 1.086) 1.437 23.869 ( 1.031 1.945 -1.223) 2.519 23.869 ( -1.031 1.945 1.223) 2.519 24.207 ( 0.553 -1.122 -3.022) 3.271 24.207 ( -0.552 -1.122 3.022) 3.270 24.407 ( -0.592 1.418 -1.068) 1.871 24.407 ( 0.593 1.418 1.068) 1.872 24.998 ( -2.252 -7.055 -0.445) 7.419 24.998 ( 2.254 -7.055 0.445) 7.420 ======================= Grid point 171 (77/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -0.546 2.288 -8.174) 8.506 0.965 ( 0.546 2.288 8.174) 8.506 1.090 ( 4.048 6.305 -4.053) 8.519 1.090 ( -4.048 6.305 4.053) 8.519 1.430 ( -0.739 1.957 -6.537) 6.863 1.430 ( 0.739 1.957 6.537) 6.863 1.546 ( 0.836 5.581 -2.427) 6.143 1.546 ( -0.836 5.581 2.427) 6.143 1.785 ( 1.650 -1.749 -3.835) 4.527 1.785 ( -1.650 -1.749 3.835) 4.527 1.839 ( 3.787 2.764 -7.489) 8.835 1.839 ( -3.787 2.764 7.489) 8.835 2.129 ( -1.370 -1.729 -0.053) 2.207 2.129 ( 1.370 -1.729 0.053) 2.207 2.343 ( 0.671 0.885 -4.016) 4.167 2.343 ( -0.671 0.885 4.016) 4.167 2.482 ( 2.481 2.161 -6.672) 7.439 2.482 ( -2.481 2.161 6.672) 7.439 2.638 ( 3.487 -9.223 -3.471) 10.454 2.638 ( -3.487 -9.223 3.471) 10.454 2.874 ( 0.462 1.604 -2.504) 3.010 2.874 ( -0.462 1.604 2.504) 3.010 3.088 ( -0.259 6.206 -3.450) 7.105 3.088 ( 0.259 6.206 3.450) 7.105 3.435 ( -2.336 -4.653 -6.449) 8.289 3.435 ( 2.337 -4.653 6.449) 8.289 3.546 ( -1.165 -0.857 -1.991) 2.461 3.546 ( 1.164 -0.857 1.991) 2.461 3.768 ( 0.342 2.579 -1.500) 3.003 3.768 ( -0.342 2.579 1.500) 3.003 3.905 ( -1.331 -4.400 -1.038) 4.713 3.905 ( 1.331 -4.400 1.039) 4.713 4.084 ( 2.703 2.322 -1.982) 4.078 4.084 ( -2.703 2.322 1.982) 4.078 4.229 ( -1.698 -4.634 -3.234) 5.901 4.229 ( 1.698 -4.634 3.234) 5.901 4.511 ( -3.938 -7.606 0.298) 8.570 4.511 ( 3.938 -7.606 -0.298) 8.570 4.658 ( 4.243 -6.404 -4.889) 9.106 4.658 ( -4.243 -6.404 4.889) 9.106 5.077 ( 2.909 10.696 -6.569) 12.884 5.077 ( -2.909 10.696 6.569) 12.884 5.329 ( 0.827 4.621 -5.587) 7.298 5.329 ( -0.827 4.621 5.587) 7.298 5.483 ( 2.428 -4.398 -6.044) 7.859 5.483 ( -2.428 -4.398 6.044) 7.859 5.701 ( 1.438 -2.763 -6.042) 6.798 5.701 ( -1.438 -2.763 6.042) 6.798 6.057 ( 4.425 9.652 -5.424) 11.923 6.057 ( -4.425 9.652 5.424) 11.923 6.420 ( 2.610 7.741 -5.166) 9.666 6.420 ( -2.610 7.741 5.166) 9.666 6.606 ( 3.753 -4.752 -7.655) 9.760 6.606 ( -3.753 -4.752 7.655) 9.760 6.973 ( 0.437 -8.253 -5.380) 9.862 6.973 ( -0.437 -8.253 5.380) 9.862 7.253 ( 0.548 -1.012 -5.129) 5.256 7.253 ( -0.548 -1.012 5.129) 5.256 7.410 ( 7.212 4.072 -8.589) 11.932 7.410 ( -7.212 4.072 8.589) 11.932 7.542 ( 3.118 -1.481 -6.240) 7.132 7.542 ( -3.118 -1.481 6.241) 7.132 7.801 ( 3.561 0.511 -5.935) 6.940 7.801 ( -3.561 0.511 5.935) 6.940 8.072 ( -1.466 -10.405 -5.110) 11.684 8.072 ( 1.467 -10.405 5.110) 11.684 8.222 ( 0.108 -9.736 -2.300) 10.005 8.222 ( -0.108 -9.736 2.300) 10.005 8.621 ( 3.107 1.953 -5.723) 6.798 8.621 ( -3.107 1.953 5.723) 6.798 8.861 ( 1.876 -5.453 -4.879) 7.553 8.861 ( -1.876 -5.453 4.879) 7.553 9.331 ( 1.233 3.144 -1.155) 3.569 9.331 ( -1.233 3.144 1.155) 3.569 9.906 ( -7.515 3.820 -0.165) 8.432 9.906 ( 7.515 3.820 0.165) 8.432 10.051 ( -7.640 -2.073 -0.334) 7.923 10.051 ( 7.640 -2.073 0.334) 7.923 10.592 ( 0.795 11.703 -0.899) 11.764 10.592 ( -0.795 11.703 0.899) 11.764 10.654 ( -1.631 3.427 -0.502) 3.828 10.654 ( 1.631 3.427 0.502) 3.828 11.018 ( 1.566 -5.264 -1.815) 5.784 11.018 ( -1.566 -5.264 1.815) 5.784 11.540 ( -0.152 13.475 -1.038) 13.516 11.540 ( 0.152 13.475 1.038) 13.516 11.886 ( 2.632 6.972 -9.796) 12.309 11.886 ( -2.632 6.972 9.797) 12.309 12.256 ( -0.971 5.855 -3.730) 7.010 12.256 ( 0.971 5.855 3.730) 7.010 12.714 ( 1.009 -7.749 -7.731) 10.993 12.714 ( -1.009 -7.749 7.731) 10.993 13.290 ( 6.112 -0.355 -2.821) 6.741 13.290 ( -6.112 -0.355 2.821) 6.741 13.504 ( -3.589 -6.667 -0.222) 7.575 13.504 ( 3.589 -6.667 0.222) 7.575 13.719 ( -4.447 -2.290 -0.910) 5.084 13.719 ( 4.447 -2.290 0.910) 5.084 13.751 ( 0.264 -2.112 -1.211) 2.449 13.751 ( -0.264 -2.112 1.211) 2.449 15.649 ( 0.137 1.089 -1.412) 1.788 15.649 ( -0.137 1.089 1.412) 1.788 16.289 ( -0.178 -0.977 -0.104) 0.998 16.289 ( 0.178 -0.977 0.104) 0.998 20.750 ( 0.878 1.637 -1.815) 2.597 20.750 ( -0.878 1.637 1.815) 2.597 20.825 ( 0.575 0.874 -1.604) 1.914 20.825 ( -0.575 0.874 1.604) 1.914 21.159 ( 0.192 -2.493 -4.116) 4.816 21.159 ( -0.192 -2.493 4.116) 4.816 21.586 ( 0.652 -1.010 -1.065) 1.606 21.586 ( -0.652 -1.010 1.065) 1.606 22.052 ( 0.354 1.970 -4.174) 4.629 22.052 ( -0.354 1.970 4.174) 4.629 22.135 ( -0.295 -1.366 -0.741) 1.582 22.135 ( 0.295 -1.366 0.741) 1.582 22.731 ( -0.416 2.106 -5.567) 5.967 22.731 ( 0.416 2.106 5.567) 5.967 22.853 ( 0.882 -2.208 -5.579) 6.064 22.853 ( -0.882 -2.208 5.579) 6.064 23.693 ( 0.015 3.332 -1.164) 3.530 23.693 ( -0.015 3.332 1.164) 3.530 23.820 ( -0.211 2.771 -0.426) 2.811 23.820 ( 0.211 2.771 0.426) 2.811 23.908 ( 1.418 0.491 -0.620) 1.623 23.908 ( -1.418 0.491 0.620) 1.623 24.035 ( 0.316 -4.802 -0.581) 4.847 24.035 ( -0.316 -4.802 0.581) 4.847 24.396 ( 0.325 1.264 -2.998) 3.270 24.396 ( -0.325 1.264 2.998) 3.270 24.641 ( -0.044 -2.676 -4.043) 4.848 24.641 ( 0.044 -2.676 4.043) 4.848 ======================= Grid point 173 (78/88) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 4.941 3.163 -7.756) 9.725 1.011 ( 1.137 1.328 -1.907) 2.587 1.120 ( 4.215 7.734 4.813) 10.037 1.242 ( 10.808 4.086 3.109) 11.966 1.366 ( 0.016 1.458 -5.852) 6.031 1.459 ( -1.002 0.076 1.310) 1.651 1.537 ( -1.168 4.741 1.518) 5.113 1.573 ( 2.362 7.098 0.158) 7.482 1.705 ( -2.986 -5.352 -0.972) 6.205 1.763 ( -2.370 7.519 1.307) 7.991 1.894 ( 4.011 -4.324 -1.058) 5.993 1.929 ( 6.709 4.830 -2.869) 8.750 2.117 ( 0.328 -0.010 -0.743) 0.812 2.165 ( 2.088 -1.897 -0.468) 2.860 2.273 ( -2.413 0.434 -1.845) 3.068 2.347 ( -0.172 4.870 -1.424) 5.077 2.478 ( -0.636 0.326 1.488) 1.650 2.511 ( 0.055 -1.244 -1.880) 2.255 2.592 ( -2.273 -9.261 3.494) 10.155 2.701 ( 5.070 -7.295 -0.034) 8.883 2.884 ( 0.657 4.060 5.139) 6.582 2.924 ( 2.414 0.978 1.710) 3.116 3.049 ( -1.174 6.613 0.163) 6.718 3.138 ( 1.677 4.480 1.405) 4.986 3.325 ( -3.331 0.279 -6.384) 7.206 3.463 ( -0.351 -4.437 -2.614) 5.162 3.522 ( -0.178 -3.879 2.640) 4.695 3.622 ( 2.778 -3.550 2.711) 5.260 3.712 ( -2.452 4.181 1.214) 4.997 3.807 ( 1.673 0.663 -1.221) 2.175 3.861 ( -3.059 -0.907 -0.226) 3.199 3.935 ( 2.141 -6.367 -0.881) 6.775 4.079 ( -0.233 2.867 3.197) 4.300 4.129 ( 2.673 -2.531 -1.492) 3.972 4.165 ( -1.533 -7.110 -4.777) 8.702 4.280 ( 0.875 -0.433 2.589) 2.767 4.460 ( -0.743 -6.010 -1.847) 6.332 4.577 ( 2.207 -4.102 -0.869) 4.738 4.619 ( -0.993 -10.461 3.617) 11.113 4.705 ( 2.562 -6.811 -2.221) 7.608 5.085 ( 1.247 10.710 2.542) 11.078 5.129 ( 4.497 9.458 -1.577) 10.591 5.289 ( -0.009 3.695 -6.582) 7.548 5.329 ( -2.476 6.370 3.700) 7.772 5.494 ( -1.091 -4.898 6.893) 8.526 5.522 ( 3.726 -3.287 -0.987) 5.066 5.679 ( 1.060 -3.535 -5.908) 6.966 5.718 ( -0.786 -3.131 3.755) 4.951 6.013 ( -3.758 10.790 3.374) 11.913 6.095 ( 4.067 9.288 -6.134) 11.850 6.414 ( -1.800 7.600 4.776) 9.155 6.433 ( 2.646 7.663 -5.178) 9.619 6.569 ( -4.828 -5.588 5.177) 9.019 6.599 ( -0.561 -4.253 -3.666) 5.643 6.944 ( 0.487 -6.637 -3.982) 7.755 7.011 ( 0.031 -8.446 5.507) 10.083 7.223 ( 0.683 0.457 -5.788) 5.846 7.279 ( -0.892 0.259 3.478) 3.600 7.315 ( -7.901 2.902 7.729) 11.427 7.418 ( -3.293 4.672 -0.973) 5.798 7.557 ( 3.680 0.231 -7.962) 8.774 7.562 ( 3.583 -7.060 -0.313) 7.923 7.756 ( -4.431 0.049 4.128) 6.057 7.823 ( 1.587 2.004 -2.223) 3.388 8.021 ( -0.833 -9.985 -2.736) 10.386 8.134 ( 0.578 -9.865 3.391) 10.448 8.190 ( -0.547 -10.534 0.698) 10.571 8.264 ( 2.288 -10.458 -0.607) 10.722 8.582 ( -2.623 2.366 2.775) 4.493 8.668 ( 3.793 1.478 -2.945) 5.025 8.825 ( -2.383 -4.658 1.676) 5.494 8.908 ( 2.945 -5.373 -0.673) 6.164 9.314 ( -1.541 3.573 1.390) 4.132 9.344 ( 0.975 2.656 -0.622) 2.897 9.768 ( -7.258 4.005 -0.052) 8.289 9.900 ( -8.211 -0.977 0.058) 8.270 10.058 ( 8.491 2.919 -0.166) 8.980 10.198 ( 7.889 -2.197 0.152) 8.191 10.567 ( -1.748 10.841 1.299) 11.058 10.606 ( 0.620 11.799 -0.611) 11.831 10.636 ( -0.067 6.496 -0.386) 6.508 10.701 ( 3.058 1.223 -0.015) 3.293 10.998 ( -1.882 -3.287 1.803) 4.194 11.032 ( 1.107 -7.229 -1.411) 7.448 11.526 ( 0.026 13.546 -0.492) 13.555 11.568 ( 2.276 12.767 -0.852) 12.996 11.868 ( 2.867 7.910 -8.933) 12.272 11.912 ( -2.410 6.108 9.689) 11.705 12.219 ( -0.443 5.949 -2.911) 6.637 12.304 ( 1.534 6.064 3.427) 7.133 12.666 ( -0.492 -6.165 -6.569) 9.022 12.751 ( -0.945 -7.840 6.906) 10.490 13.211 ( -4.896 -2.219 4.273) 6.867 13.388 ( 4.798 -1.581 -0.766) 5.110 13.418 ( -4.053 -7.235 -2.103) 8.556 13.550 ( 1.707 -3.906 -0.357) 4.277 13.609 ( -5.699 -0.563 -0.961) 5.807 13.689 ( -2.464 -2.977 -0.795) 3.946 13.814 ( 4.590 -2.661 -1.117) 5.422 13.837 ( 5.228 -3.677 0.294) 6.398 15.649 ( 1.005 1.446 -0.984) 2.017 15.666 ( 1.006 0.771 1.136) 1.702 16.271 ( -1.712 -0.795 -0.045) 1.888 16.281 ( -1.217 -1.092 0.021) 1.635 20.728 ( -2.032 1.891 0.585) 2.837 20.755 ( 0.224 1.415 -0.472) 1.509 20.812 ( -1.438 0.407 0.673) 1.639 20.820 ( 0.120 0.610 -2.240) 2.324 21.159 ( 2.929 -1.270 -2.991) 4.375 21.206 ( 2.133 -3.198 3.016) 4.886 21.602 ( 1.224 -0.745 1.662) 2.195 21.610 ( 2.229 -0.801 -0.042) 2.370 22.028 ( 0.342 1.632 -3.394) 3.781 22.070 ( -0.363 1.032 2.026) 2.302 22.132 ( -0.044 -0.466 1.237) 1.322 22.150 ( 0.527 -1.050 0.942) 1.505 22.676 ( -1.248 2.449 -5.379) 6.041 22.767 ( -0.260 0.786 3.342) 3.443 22.817 ( -0.735 -2.049 -4.117) 4.657 22.865 ( -1.839 -1.658 4.712) 5.323 23.686 ( 0.002 2.750 -0.555) 2.805 23.701 ( 0.008 3.305 1.000) 3.453 23.803 ( -0.691 3.246 -0.236) 3.327 23.836 ( 0.751 3.052 -1.064) 3.318 23.881 ( -1.800 1.243 1.110) 2.453 23.921 ( 0.475 0.273 -0.342) 0.646 24.056 ( 2.111 -4.878 -0.151) 5.318 24.061 ( 2.653 -5.076 0.125) 5.729 24.384 ( 0.640 2.088 -2.465) 3.293 24.422 ( 0.928 0.882 2.278) 2.613 24.618 ( 0.560 -2.140 -3.591) 4.217 24.679 ( 1.044 -4.110 3.996) 5.827 ======================= Grid point 174 (79/88) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 4.656 0.817 -5.855) 7.525 1.031 ( 2.865 0.107 -2.046) 3.522 1.244 ( 5.532 6.009 0.377) 8.176 1.354 ( 3.016 2.020 -2.070) 4.179 1.414 ( -0.118 2.162 4.811) 5.275 1.444 ( 0.305 2.250 0.395) 2.305 1.529 ( 0.187 1.157 1.192) 1.671 1.639 ( 5.253 5.015 -0.340) 7.271 1.686 ( 1.665 -2.700 -0.274) 3.184 1.763 ( 2.752 5.895 -1.058) 6.592 1.915 ( -0.662 -1.253 -1.876) 2.351 1.985 ( 0.747 1.220 -2.827) 3.168 2.118 ( 1.336 1.480 -2.304) 3.047 2.159 ( -2.423 1.706 1.239) 3.212 2.310 ( 6.274 1.016 1.559) 6.544 2.355 ( 1.449 8.308 -0.734) 8.465 2.445 ( -0.044 -6.079 -7.360) 9.546 2.500 ( 0.442 -1.204 3.319) 3.558 2.612 ( 1.795 -3.444 1.713) 4.245 2.799 ( 3.861 -7.584 2.171) 8.783 2.950 ( 0.108 9.289 7.016) 11.642 2.974 ( 2.068 1.855 2.716) 3.886 3.064 ( 2.056 2.952 2.688) 4.490 3.154 ( 0.317 3.550 -1.259) 3.780 3.272 ( 1.739 -0.076 -2.750) 3.254 3.446 ( 1.003 -3.766 -2.339) 4.546 3.539 ( 1.277 -4.541 -1.175) 4.861 3.655 ( -0.684 -2.472 1.594) 3.019 3.713 ( 1.074 1.722 -0.151) 2.035 3.817 ( 0.302 -3.730 0.191) 3.747 3.830 ( 0.487 2.404 1.239) 2.748 3.969 ( 3.033 -5.918 -3.122) 7.346 4.063 ( -3.870 -11.544 1.043) 12.220 4.125 ( 0.717 3.313 -1.416) 3.674 4.172 ( 3.209 -3.583 -2.930) 5.633 4.284 ( -2.273 2.579 2.871) 4.479 4.454 ( 0.809 -4.369 -1.561) 4.710 4.586 ( 0.445 -8.060 0.825) 8.114 4.654 ( 3.235 -3.301 -5.470) 7.162 4.719 ( -1.245 -10.798 3.955) 11.567 5.144 ( 2.939 10.162 2.203) 10.805 5.202 ( 4.906 7.296 -2.674) 9.190 5.245 ( -0.002 4.040 -5.476) 6.805 5.312 ( -2.569 5.819 5.189) 8.209 5.514 ( -2.837 -1.689 8.176) 8.817 5.593 ( 2.948 -3.262 0.736) 4.458 5.660 ( 3.017 -4.883 -7.935) 9.793 5.725 ( -0.619 -5.026 1.709) 5.345 5.970 ( -2.720 12.104 0.931) 12.441 6.113 ( 3.036 9.094 -6.294) 11.468 6.423 ( -1.577 4.812 5.340) 7.360 6.430 ( 0.079 8.335 -4.269) 9.364 6.517 ( -3.053 -6.026 1.106) 6.845 6.542 ( -4.079 -1.848 1.356) 4.679 6.935 ( 1.482 -4.389 -3.582) 5.855 7.048 ( -0.875 -5.343 6.486) 8.448 7.176 ( -5.029 6.237 1.833) 8.219 7.230 ( -2.523 2.116 1.364) 3.564 7.299 ( 0.200 -4.166 -1.917) 4.590 7.333 ( -4.693 3.343 1.001) 5.848 7.560 ( 1.389 -4.859 -2.744) 5.750 7.627 ( 3.129 -6.039 -0.674) 6.835 7.713 ( -1.385 -1.689 -0.652) 2.280 7.830 ( 0.598 4.749 -1.243) 4.945 8.002 ( -0.060 -9.960 -0.668) 9.983 8.126 ( -1.039 -8.211 -0.754) 8.311 8.212 ( 0.390 -11.784 1.730) 11.917 8.288 ( 0.834 -11.763 -1.055) 11.840 8.575 ( -0.429 2.580 3.355) 4.254 8.717 ( 3.874 0.818 -2.514) 4.690 8.798 ( -2.420 -2.917 2.671) 4.637 8.951 ( 2.275 -5.209 -0.995) 5.771 9.299 ( -1.148 4.153 1.369) 4.521 9.358 ( 0.839 2.107 -0.174) 2.275 9.646 ( -6.079 4.054 -0.409) 7.319 9.758 ( -7.549 -0.431 0.057) 7.562 10.206 ( 7.983 2.673 -0.094) 8.420 10.334 ( 7.075 -2.189 0.254) 7.410 10.556 ( -0.552 10.075 1.658) 10.226 10.607 ( 0.254 12.122 -1.092) 12.174 10.643 ( 0.768 7.763 0.137) 7.802 10.753 ( 2.708 0.064 -0.567) 2.767 10.974 ( -2.284 -1.691 1.679) 3.301 11.034 ( -0.079 -7.432 -0.983) 7.497 11.539 ( 1.814 12.656 -0.183) 12.786 11.612 ( 3.719 11.795 -1.985) 12.525 11.860 ( 2.824 8.698 -8.184) 12.273 11.933 ( -2.916 5.722 9.386) 11.373 12.199 ( 0.123 6.193 -1.681) 6.418 12.358 ( 2.194 5.644 2.041) 6.389 12.603 ( -1.303 -3.750 -5.993) 7.189 12.776 ( -1.789 -8.297 6.794) 10.872 13.177 ( -2.593 -4.551 4.548) 6.937 13.308 ( -5.863 -9.212 -0.144) 10.921 13.469 ( 3.187 0.583 -2.822) 4.297 13.518 ( -2.876 -0.148 0.676) 2.958 13.570 ( 0.679 -2.419 -0.028) 2.513 13.643 ( -1.495 -3.048 -1.944) 3.912 13.877 ( 4.234 -3.761 -3.581) 6.700 13.922 ( 3.316 -5.345 1.284) 6.420 15.671 ( 2.080 1.714 -0.719) 2.789 15.700 ( 1.844 0.603 0.967) 2.168 16.229 ( -2.878 -0.606 -0.028) 2.942 16.247 ( -2.552 -1.132 0.038) 2.792 20.691 ( -2.298 1.828 0.665) 3.011 20.753 ( -0.498 0.592 0.495) 0.919 20.776 ( -1.971 0.568 -0.816) 2.207 20.812 ( 0.746 0.378 -2.493) 2.629 21.213 ( 4.597 -0.692 -1.752) 4.968 21.269 ( 2.667 -3.119 2.289) 4.699 21.646 ( 2.245 -0.216 1.379) 2.644 21.656 ( 2.572 -0.255 0.250) 2.596 22.020 ( 0.888 1.024 -1.789) 2.245 22.071 ( -0.413 -0.239 0.973) 1.084 22.146 ( 0.193 1.048 1.490) 1.832 22.167 ( 0.729 -0.953 0.517) 1.307 22.615 ( -1.481 2.273 -4.249) 5.042 22.746 ( -1.144 -3.605 -4.646) 5.990 22.792 ( -1.972 1.312 3.316) 4.075 22.855 ( -2.737 -1.186 3.866) 4.883 23.686 ( 0.194 1.877 0.026) 1.887 23.707 ( -0.211 2.635 0.997) 2.825 23.793 ( -0.228 3.787 -0.653) 3.849 23.818 ( -1.620 3.266 -0.671) 3.707 23.878 ( 0.529 2.858 0.676) 2.984 23.923 ( 0.157 1.106 -0.176) 1.130 24.095 ( 1.883 -4.435 0.758) 4.878 24.119 ( 3.643 -5.482 -1.042) 6.664 24.384 ( 1.276 2.772 -2.360) 3.858 24.463 ( 1.558 1.677 2.692) 3.534 24.613 ( 1.823 -3.464 -3.232) 5.076 24.735 ( 2.309 -6.117 3.065) 7.221 ======================= Grid point 175 (80/88) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 4.028 -1.285 -2.899) 5.126 1.075 ( 2.526 -1.680 -0.000) 3.033 1.285 ( -0.306 1.006 -0.618) 1.220 1.359 ( -3.398 -0.825 -0.067) 3.497 1.427 ( 3.328 3.138 0.130) 4.576 1.470 ( 1.463 7.079 2.734) 7.728 1.550 ( 0.463 -0.150 1.293) 1.381 1.700 ( 2.513 -3.696 -2.119) 4.947 1.758 ( 2.118 4.659 -2.272) 5.599 1.821 ( 2.972 0.157 3.312) 4.452 1.881 ( -0.169 -0.352 -2.931) 2.957 1.935 ( -2.673 0.127 -0.871) 2.814 2.130 ( 2.046 2.874 0.135) 3.530 2.157 ( 0.492 4.668 1.950) 5.083 2.359 ( -0.545 11.183 -0.217) 11.198 2.385 ( 1.086 -4.816 -3.347) 5.964 2.467 ( 6.127 -1.463 -1.389) 6.450 2.568 ( 3.007 1.464 4.166) 5.343 2.687 ( 6.228 -1.059 -0.195) 6.320 2.862 ( 1.300 -5.751 2.302) 6.330 2.992 ( 1.662 11.380 3.829) 12.121 3.009 ( -0.912 1.790 3.343) 3.900 3.150 ( 4.784 3.418 2.218) 6.284 3.178 ( 3.032 1.373 0.383) 3.351 3.316 ( 3.826 -5.555 -3.417) 7.561 3.461 ( 1.387 -6.896 0.207) 7.037 3.548 ( 1.219 -1.289 -3.171) 3.633 3.634 ( -0.986 -2.988 -1.195) 3.366 3.731 ( 1.477 0.301 -0.547) 1.604 3.854 ( 1.330 2.269 4.215) 4.968 3.879 ( 4.805 -4.943 -1.987) 7.174 3.994 ( 2.393 -3.630 -4.383) 6.174 4.009 ( -0.748 -13.485 -2.327) 13.704 4.108 ( -2.655 4.619 2.226) 5.774 4.214 ( 2.183 -2.171 -0.549) 3.127 4.272 ( 0.558 2.547 0.601) 2.676 4.455 ( -0.388 -2.052 1.029) 2.329 4.582 ( -1.866 -5.875 -1.557) 6.357 4.659 ( 2.350 -6.491 -4.247) 8.105 4.721 ( -1.846 -8.454 3.716) 9.417 5.205 ( 0.708 5.648 -0.455) 5.710 5.220 ( 2.053 7.206 0.097) 7.493 5.251 ( 3.197 5.166 -6.098) 8.608 5.316 ( -1.753 4.299 7.329) 8.676 5.510 ( -2.953 0.274 5.848) 6.557 5.583 ( -2.173 -1.353 -1.642) 3.041 5.690 ( 1.107 -4.884 -1.165) 5.142 5.733 ( 2.952 -8.153 -3.678) 9.419 5.934 ( -1.057 11.905 -0.957) 11.990 6.129 ( 3.636 7.894 -5.093) 10.074 6.330 ( -7.350 -1.354 -2.391) 7.847 6.430 ( -4.766 5.227 9.440) 11.796 6.494 ( -2.637 -4.664 5.257) 7.507 6.504 ( 2.429 9.367 -6.281) 11.537 6.942 ( 1.514 -0.660 -2.838) 3.283 7.061 ( -2.382 1.542 4.106) 4.991 7.106 ( -5.140 5.821 6.648) 10.222 7.210 ( 0.238 -1.386 -2.833) 3.163 7.251 ( -3.170 -1.341 2.395) 4.193 7.308 ( 0.888 -3.122 -3.382) 4.688 7.574 ( 1.360 -8.998 0.002) 9.100 7.661 ( -0.762 -1.037 5.221) 5.377 7.699 ( 2.209 -5.854 -6.402) 8.952 7.824 ( 0.305 5.964 -3.021) 6.692 8.006 ( 0.430 -10.486 0.898) 10.534 8.105 ( -0.590 -8.792 -0.969) 8.865 8.211 ( -0.511 -10.415 -1.017) 10.477 8.278 ( -0.975 -12.756 -1.218) 12.851 8.610 ( 1.399 2.132 3.300) 4.171 8.769 ( 1.320 4.223 -1.184) 4.580 8.778 ( 0.158 -5.168 2.698) 5.832 8.970 ( 0.645 -4.946 -1.306) 5.156 9.297 ( -0.068 4.707 1.192) 4.856 9.369 ( 0.389 1.992 -0.068) 2.030 9.547 ( -4.387 3.676 -0.618) 5.757 9.635 ( -6.103 0.060 -0.051) 6.104 10.338 ( 6.512 2.284 0.139) 6.902 10.451 ( 5.559 -2.564 0.053) 6.122 10.568 ( 0.659 9.261 1.109) 9.351 10.611 ( 1.197 11.076 -0.551) 11.155 10.660 ( 0.953 8.595 0.043) 8.648 10.780 ( 0.532 -0.229 -0.527) 0.783 10.942 ( -2.092 0.108 0.797) 2.241 11.014 ( -1.674 -5.162 -0.249) 5.432 11.589 ( 3.417 11.001 0.744) 11.544 11.675 ( 5.283 10.862 -3.071) 12.463 11.847 ( 1.524 8.851 -6.905) 11.329 11.936 ( -3.855 6.772 8.106) 11.244 12.200 ( 0.823 5.611 -0.223) 5.675 12.394 ( 0.704 4.712 -1.831) 5.104 12.560 ( 0.887 -4.047 -2.055) 4.625 12.779 ( -2.721 -9.597 5.027) 11.170 13.165 ( -1.545 -4.129 1.388) 4.622 13.215 ( -5.021 -8.391 2.276) 10.040 13.445 ( -1.067 2.120 -0.827) 2.514 13.539 ( 0.091 -3.005 3.083) 4.306 13.567 ( 0.805 -0.727 -3.918) 4.066 13.622 ( 0.361 -1.982 -0.264) 2.032 13.916 ( 3.593 -5.169 -5.018) 8.051 13.970 ( 0.794 -6.801 1.998) 7.133 15.712 ( 2.915 1.811 -0.478) 3.465 15.744 ( 2.311 0.657 0.726) 2.510 16.171 ( -3.396 -0.517 -0.014) 3.435 16.193 ( -3.387 -1.128 0.055) 3.570 20.662 ( -1.600 1.626 1.244) 2.598 20.730 ( -2.389 -0.845 0.791) 2.655 20.755 ( 0.271 1.854 -1.065) 2.156 20.806 ( 0.521 0.138 -2.607) 2.662 21.286 ( 4.297 -0.714 -0.852) 4.438 21.329 ( 2.312 -2.556 1.639) 3.816 21.692 ( 1.875 0.322 0.518) 1.972 21.699 ( 2.002 0.280 0.082) 2.023 22.033 ( 0.978 0.546 0.549) 1.247 22.076 ( 0.090 -0.447 1.301) 1.379 22.153 ( 0.307 0.987 -0.729) 1.265 22.181 ( 0.718 -0.908 -0.709) 1.357 22.572 ( -0.566 1.854 -2.087) 2.848 22.695 ( -1.014 -3.950 -3.007) 5.067 22.765 ( -3.201 1.211 1.733) 3.836 22.823 ( -3.435 -1.152 2.772) 4.562 23.692 ( 0.336 1.506 0.562) 1.642 23.708 ( -0.302 2.370 0.613) 2.466 23.779 ( -0.933 2.089 -0.367) 2.317 23.785 ( -1.488 3.530 -0.435) 3.855 23.899 ( 1.404 4.520 0.021) 4.733 23.929 ( 0.550 3.350 0.092) 3.397 24.130 ( 0.925 -3.750 1.724) 4.230 24.163 ( 2.295 -4.613 -2.046) 5.544 24.397 ( 1.811 3.242 -1.636) 4.058 24.500 ( 0.105 4.294 2.205) 4.829 24.652 ( 4.849 -7.661 -2.166) 9.322 24.797 ( 2.429 -8.269 1.573) 8.761 ======================= Grid point 176 (81/88) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 3.258 -2.396 -0.081) 4.045 1.115 ( 1.744 -2.489 0.358) 3.060 1.256 ( -1.784 0.407 -0.518) 1.902 1.289 ( -3.972 -0.129 0.409) 3.995 1.505 ( 4.816 3.421 -0.848) 5.968 1.522 ( 2.144 2.887 2.410) 4.329 1.563 ( -0.058 0.617 1.656) 1.768 1.688 ( -3.151 -1.206 -1.840) 3.843 1.733 ( 0.508 -1.243 -1.662) 2.137 1.802 ( -5.091 0.376 -0.733) 5.158 1.887 ( 3.457 -1.323 -2.800) 4.641 1.949 ( 0.212 -3.401 2.228) 4.071 2.182 ( 1.252 8.811 1.405) 9.010 2.224 ( 5.380 1.740 3.360) 6.577 2.323 ( -1.539 10.903 -1.657) 11.135 2.402 ( 1.736 -0.790 -1.253) 2.281 2.546 ( 3.141 -1.503 0.465) 3.513 2.616 ( -0.866 3.097 2.885) 4.320 2.814 ( 7.022 1.459 -1.278) 7.285 2.895 ( 1.872 -3.647 2.751) 4.937 2.996 ( -2.459 1.978 2.053) 3.764 3.064 ( 0.798 5.662 4.459) 7.251 3.221 ( 1.652 -1.015 0.458) 1.992 3.253 ( 4.252 3.100 -0.017) 5.262 3.341 ( 6.672 -4.342 -11.332) 13.849 3.498 ( -2.041 -9.469 2.096) 9.910 3.527 ( -0.774 -1.404 3.898) 4.215 3.616 ( -0.402 -4.291 -1.495) 4.562 3.764 ( 2.800 -1.821 -0.444) 3.369 3.903 ( 0.427 -3.431 -3.659) 5.034 3.942 ( 4.247 -4.348 -2.758) 6.674 3.961 ( 1.094 0.237 -1.980) 2.274 4.040 ( 2.712 -3.508 -0.642) 4.480 4.095 ( -2.112 1.230 4.931) 5.503 4.234 ( 0.626 0.355 3.612) 3.683 4.325 ( 5.424 0.025 -3.424) 6.415 4.451 ( -2.077 0.092 3.013) 3.660 4.498 ( -4.821 -1.994 -3.670) 6.379 4.677 ( -0.404 -8.174 3.634) 8.954 4.707 ( 0.199 -5.875 -2.617) 6.435 5.195 ( 0.064 3.734 -0.925) 3.847 5.230 ( -1.207 3.530 -2.020) 4.242 5.288 ( 3.094 6.324 0.964) 7.106 5.340 ( -0.455 3.920 2.723) 4.795 5.503 ( -0.675 0.684 2.135) 2.341 5.533 ( -2.173 0.287 0.176) 2.199 5.681 ( 0.163 -5.247 -1.447) 5.445 5.743 ( -0.005 -8.830 -3.028) 9.335 5.930 ( 1.910 9.226 -1.256) 9.505 6.126 ( -7.358 2.563 2.211) 8.099 6.224 ( 4.843 3.515 -8.013) 10.001 6.381 ( -7.566 0.562 9.407) 12.085 6.502 ( -1.844 5.583 6.783) 8.977 6.510 ( 3.424 8.594 -7.693) 12.032 6.945 ( 0.784 4.117 -1.314) 4.392 7.016 ( -4.120 4.925 1.720) 6.647 7.102 ( -0.030 2.104 4.339) 4.823 7.188 ( -0.457 -1.760 -3.434) 3.885 7.247 ( -1.642 -4.290 7.516) 8.809 7.298 ( 1.713 -3.841 -6.280) 7.558 7.607 ( 1.676 -10.984 1.250) 11.181 7.678 ( -0.324 -8.439 -0.771) 8.480 7.698 ( 0.574 3.443 2.371) 4.220 7.794 ( -0.165 6.118 -5.749) 8.397 8.028 ( 0.835 -11.768 1.949) 11.957 8.087 ( -0.749 -10.863 -1.193) 10.954 8.196 ( 0.347 -9.118 -1.668) 9.276 8.242 ( -1.929 -12.216 -0.840) 12.396 8.662 ( 2.113 1.760 1.925) 3.357 8.746 ( -2.315 1.185 1.469) 2.987 8.839 ( 3.569 -1.678 0.455) 3.970 8.954 ( -1.343 -3.988 -1.470) 4.457 9.313 ( 0.967 4.774 0.932) 4.959 9.366 ( -0.738 3.016 -0.301) 3.120 9.489 ( -1.475 2.365 -0.365) 2.811 9.542 ( -4.033 0.401 -0.143) 4.055 10.439 ( 4.474 1.585 0.402) 4.763 10.516 ( 1.287 -2.083 -0.334) 2.471 10.601 ( 2.876 7.872 0.076) 8.381 10.643 ( 2.013 8.498 0.250) 8.737 10.674 ( 0.744 8.705 -0.215) 8.739 10.760 ( -2.611 0.971 0.393) 2.813 10.921 ( 0.001 1.529 -0.820) 1.735 10.974 ( -2.749 -1.821 0.657) 3.363 11.666 ( 3.824 9.286 2.115) 10.263 11.754 ( 6.085 9.843 -3.928) 12.220 11.813 ( -0.428 8.820 -5.405) 10.353 11.905 ( -5.309 8.958 6.341) 12.192 12.229 ( 1.865 4.235 1.542) 4.878 12.353 ( -1.975 3.741 -4.159) 5.933 12.609 ( 3.981 -6.704 0.709) 7.829 12.748 ( -3.564 -10.576 2.263) 11.387 13.141 ( -0.660 -3.000 -1.215) 3.303 13.162 ( -3.228 -5.297 3.065) 6.920 13.444 ( 0.406 0.274 1.630) 1.702 13.515 ( -1.978 -2.689 -1.083) 3.510 13.587 ( 2.334 -0.049 -1.176) 2.614 13.630 ( -0.270 -0.663 0.754) 1.040 13.941 ( 3.323 -6.830 -5.060) 9.126 13.980 ( -1.475 -7.680 2.882) 8.335 15.763 ( 2.862 1.748 -0.365) 3.374 15.786 ( 1.634 0.987 0.523) 1.979 16.116 ( -2.436 -0.657 -0.032) 2.524 16.133 ( -3.060 -1.111 0.052) 3.256 20.654 ( -0.524 1.409 1.863) 2.394 20.695 ( -1.416 0.293 -0.864) 1.684 20.758 ( 0.085 0.735 1.098) 1.324 20.792 ( 0.137 -0.016 -2.836) 2.839 21.348 ( 2.839 -0.857 -0.378) 2.990 21.370 ( 1.119 -1.804 0.953) 2.327 21.719 ( 1.059 0.734 -0.127) 1.295 21.726 ( 0.844 0.572 0.085) 1.023 22.059 ( 0.696 0.350 2.266) 2.396 22.090 ( 0.084 -0.262 1.377) 1.404 22.149 ( 0.675 0.061 -2.295) 2.393 22.177 ( -0.023 -1.090 -1.988) 2.268 22.574 ( 1.579 1.504 0.227) 2.192 22.676 ( 0.128 -2.869 -0.729) 2.963 22.706 ( -3.358 0.602 -0.200) 3.417 22.772 ( -3.726 -1.693 1.225) 4.272 23.704 ( 0.189 1.976 1.029) 2.236 23.707 ( 0.212 2.645 -0.400) 2.683 23.757 ( -1.175 2.207 -0.023) 2.500 23.760 ( -0.975 1.388 -0.133) 1.701 23.925 ( 1.373 5.379 -0.112) 5.552 23.940 ( 0.436 4.896 0.116) 4.917 24.153 ( 0.161 -3.021 2.292) 3.795 24.175 ( 1.010 -3.418 -2.447) 4.323 24.426 ( 2.281 3.892 -0.746) 4.572 24.496 ( -1.543 5.059 0.789) 5.348 24.740 ( 5.311 -10.100 -0.513) 11.423 24.832 ( 0.503 -9.954 0.359) 9.973 ======================= Grid point 177 (82/88) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.521 -3.099 -2.018) 3.734 1.132 ( -0.509 -3.100 2.016) 3.733 1.240 ( 1.178 0.449 -0.627) 1.408 1.240 ( -1.174 0.450 0.628) 1.405 1.551 ( 1.009 3.475 -1.182) 3.807 1.551 ( -1.008 3.475 1.181) 3.806 1.611 ( -3.653 -1.163 -1.749) 4.214 1.611 ( 3.655 -1.162 1.749) 4.215 1.737 ( 2.158 -0.050 -3.691) 4.276 1.737 ( -2.153 -0.050 3.691) 4.274 1.932 ( 3.707 -4.186 -3.501) 6.597 1.932 ( -3.692 -4.189 3.500) 6.590 2.231 ( -2.748 8.837 -0.890) 9.297 2.231 ( 2.750 8.839 0.888) 9.299 2.378 ( -0.541 3.282 -5.247) 6.212 2.378 ( 0.549 3.284 5.245) 6.213 2.594 ( 1.853 0.938 -3.238) 3.847 2.594 ( -1.853 0.938 3.241) 3.849 2.904 ( -3.973 0.423 0.589) 4.039 2.904 ( 3.977 0.427 -0.587) 4.043 3.021 ( 2.559 -1.053 -0.925) 2.918 3.022 ( -2.530 -1.057 0.940) 2.898 3.274 ( -1.825 4.006 -1.416) 4.624 3.275 ( 1.838 3.997 1.412) 4.620 3.411 ( 7.616 -5.185 -6.427) 11.234 3.411 ( -7.611 -5.181 6.423) 11.226 3.583 ( -1.498 -6.660 -3.380) 7.617 3.583 ( 1.499 -6.663 3.378) 7.619 3.828 ( -3.273 -2.737 -2.774) 5.089 3.828 ( 3.282 -2.731 2.767) 5.088 3.986 ( 2.930 -2.181 -5.950) 6.982 3.986 ( -2.920 -2.181 5.950) 6.977 4.072 ( 3.139 1.059 -3.491) 4.813 4.073 ( -3.139 1.065 3.491) 4.814 4.327 ( 1.119 -3.255 -2.343) 4.164 4.327 ( -1.111 -3.255 2.342) 4.161 4.425 ( -1.463 2.911 -0.118) 3.260 4.425 ( 1.470 2.906 0.120) 3.259 4.694 ( 2.729 -6.201 -8.283) 10.701 4.694 ( -2.726 -6.200 8.283) 10.700 5.200 ( -0.408 3.034 -0.493) 3.101 5.200 ( 0.411 3.035 0.493) 3.102 5.331 ( 1.349 4.582 -4.389) 6.487 5.331 ( -1.338 4.582 4.387) 6.483 5.513 ( 1.407 1.086 -2.182) 2.814 5.513 ( -1.404 1.082 2.184) 2.813 5.700 ( 0.783 -7.407 -3.338) 8.162 5.700 ( -0.780 -7.406 3.338) 8.161 5.995 ( -1.054 5.114 -2.126) 5.638 5.995 ( 1.056 5.114 2.125) 5.637 6.301 ( 8.215 2.183 -8.424) 11.967 6.302 ( -8.212 2.183 8.424) 11.966 6.512 ( 2.844 8.011 -7.751) 11.504 6.512 ( -2.842 8.011 7.752) 11.504 6.964 ( 2.492 5.491 -6.501) 8.867 6.964 ( -2.491 5.491 6.500) 8.866 7.146 ( -0.658 -0.595 -4.529) 4.615 7.146 ( 0.659 -0.594 4.529) 4.615 7.277 ( 1.606 -4.387 -8.029) 9.289 7.277 ( -1.604 -4.386 8.029) 9.288 7.648 ( 2.852 -10.774 -9.074) 14.371 7.648 ( -2.846 -10.773 9.070) 14.367 7.743 ( 2.571 6.024 -11.254) 13.021 7.744 ( -2.570 6.025 11.256) 13.023 8.060 ( 0.139 -12.223 -3.449) 12.701 8.060 ( -0.139 -12.223 3.449) 12.702 8.207 ( 1.035 -10.179 -3.006) 10.664 8.207 ( -1.034 -10.180 3.008) 10.665 8.709 ( -0.157 1.545 -2.006) 2.537 8.709 ( 0.158 1.544 2.005) 2.536 8.905 ( 0.747 -2.615 -5.476) 6.115 8.905 ( -0.745 -2.615 5.477) 6.114 9.341 ( -1.416 4.285 -0.647) 4.559 9.341 ( 1.417 4.285 0.648) 4.560 9.490 ( -1.467 0.961 -0.120) 1.758 9.490 ( 1.468 0.961 0.120) 1.759 10.502 ( -1.979 0.330 -0.605) 2.095 10.502 ( 1.979 0.330 0.605) 2.096 10.651 ( -0.248 6.902 -1.383) 7.044 10.651 ( 0.249 6.903 1.383) 7.044 10.705 ( -0.851 4.919 -0.925) 5.077 10.705 ( 0.852 4.919 0.925) 5.077 10.934 ( 1.631 0.829 -1.504) 2.369 10.934 ( -1.631 0.829 1.504) 2.368 11.747 ( -2.035 7.924 -4.279) 9.233 11.747 ( 2.038 7.924 4.279) 9.233 11.839 ( 6.083 10.437 -5.288) 13.187 11.839 ( -6.081 10.437 5.288) 13.186 12.285 ( -2.343 3.510 -3.224) 5.311 12.285 ( 2.344 3.510 3.224) 5.311 12.686 ( -0.820 -9.584 -2.546) 9.951 12.686 ( 0.822 -9.584 2.546) 9.951 13.137 ( 1.393 -3.099 -2.975) 4.516 13.137 ( -1.393 -3.099 2.975) 4.516 13.473 ( -1.119 -1.433 -2.332) 2.957 13.474 ( 1.120 -1.433 2.332) 2.958 13.617 ( 0.352 -0.022 -0.759) 0.837 13.617 ( -0.348 -0.022 0.760) 0.836 13.964 ( 2.880 -7.781 -4.466) 9.422 13.965 ( -2.879 -7.782 4.465) 9.422 15.798 ( 0.384 1.485 -0.611) 1.651 15.798 ( -0.384 1.485 0.611) 1.651 16.097 ( -0.534 -0.980 -0.004) 1.116 16.097 ( 0.534 -0.980 0.004) 1.116 20.668 ( -0.402 1.038 -1.955) 2.249 20.668 ( 0.404 1.037 1.955) 2.250 20.773 ( -0.024 0.110 -2.558) 2.560 20.773 ( 0.026 0.110 2.558) 2.560 21.378 ( 0.434 -1.173 -0.645) 1.407 21.378 ( -0.433 -1.173 0.645) 1.407 21.731 ( 0.138 0.767 -0.351) 0.854 21.731 ( -0.136 0.766 0.351) 0.854 22.086 ( -0.514 0.295 -1.418) 1.537 22.086 ( 0.515 0.295 1.418) 1.537 22.157 ( -0.510 -1.079 -0.927) 1.511 22.157 ( 0.512 -1.079 0.927) 1.512 22.626 ( -3.309 1.285 -1.103) 3.718 22.626 ( 3.310 1.285 1.103) 3.718 22.715 ( -2.802 -2.532 0.132) 3.779 22.715 ( 2.803 -2.532 -0.132) 3.779 23.709 ( 0.504 2.763 -1.182) 3.047 23.709 ( -0.503 2.762 1.182) 3.046 23.748 ( 0.603 1.233 -1.235) 1.846 23.748 ( -0.603 1.233 1.235) 1.846 23.941 ( 0.522 5.404 -1.422) 5.612 23.941 ( -0.521 5.404 1.422) 5.613 24.169 ( 0.580 -2.821 -2.893) 4.082 24.169 ( -0.578 -2.820 2.892) 4.081 24.464 ( -1.061 4.642 -0.368) 4.776 24.464 ( 1.062 4.642 0.368) 4.777 24.814 ( -2.098 -10.658 -0.442) 10.871 24.814 ( 2.099 -10.658 0.442) 10.872 ======================= Grid point 183 (83/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -0.000 -0.000 -0.000) 0.000 0.986 ( -0.000 0.000 0.000) 0.000 1.168 ( 0.000 -0.000 0.000) 0.000 1.168 ( -0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 -0.000 -0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.738 ( -0.000 -0.000 -0.000) 0.000 1.738 ( -0.000 0.000 0.000) 0.000 1.934 ( 0.000 -0.000 -0.000) 0.000 1.934 ( -0.000 0.000 0.000) 0.000 2.095 ( -0.000 -0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 -0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.474 ( -0.000 0.000 0.000) 0.000 2.474 ( -0.000 0.000 0.000) 0.000 2.531 ( 0.000 -0.000 -0.000) 0.000 2.531 ( 0.000 0.000 -0.000) 0.000 2.893 ( -0.000 0.000 -0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.225 ( -0.000 -0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 -0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.469 ( -0.000 -0.000 -0.000) 0.000 3.469 ( -0.000 0.000 0.000) 0.000 3.799 ( 0.001 0.001 -0.001) 0.002 3.799 ( -0.000 0.000 0.000) 0.000 3.810 ( -0.001 -0.001 0.000) 0.001 3.810 ( -0.000 -0.000 0.001) 0.001 4.130 ( -0.000 -0.000 0.000) 0.000 4.130 ( -0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 -0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 -0.000 0.000) 0.000 4.489 ( -0.000 0.000 0.000) 0.000 4.546 ( 0.000 -0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 5.248 ( -0.000 -0.000 0.000) 0.000 5.248 ( -0.000 -0.000 0.000) 0.000 5.285 ( 0.000 -0.000 -0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.566 ( -0.000 -0.000 0.000) 0.000 5.566 ( -0.000 0.000 -0.000) 0.000 5.582 ( 0.000 -0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 -0.000 -0.000) 0.000 6.197 ( 0.000 0.000 -0.000) 0.000 6.428 ( 0.000 -0.000 0.000) 0.000 6.428 ( -0.000 0.000 0.000) 0.000 6.636 ( 0.000 -0.000 -0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 -0.000 0.000) 0.000 6.830 ( -0.000 0.000 0.000) 0.000 7.245 ( 0.000 -0.000 0.000) 0.000 7.245 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 -0.000) 0.000 7.452 ( 0.000 -0.000 0.000) 0.000 7.552 ( -0.000 0.000 0.000) 0.000 7.552 ( -0.000 0.000 0.000) 0.000 7.864 ( -0.000 0.000 0.000) 0.000 7.864 ( -0.000 0.000 0.000) 0.000 7.889 ( 0.000 -0.000 -0.000) 0.000 7.889 ( 0.000 -0.000 0.000) 0.000 8.120 ( 0.000 -0.000 0.000) 0.000 8.120 ( -0.000 0.000 0.000) 0.000 8.657 ( 0.000 -0.000 0.000) 0.000 8.657 ( -0.000 -0.000 0.000) 0.000 8.788 ( 0.000 -0.000 -0.000) 0.000 8.788 ( -0.000 0.000 0.000) 0.000 9.362 ( 0.000 -0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.977 ( -0.000 -0.000 -0.000) 0.000 9.977 ( 0.000 0.000 -0.000) 0.000 9.998 ( 0.000 -0.000 0.000) 0.000 9.998 ( -0.000 0.000 0.000) 0.000 10.672 ( 0.000 -0.000 0.000) 0.000 10.672 ( -0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 -0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 -0.000 -0.000) 0.000 11.726 ( 0.000 0.000 -0.000) 0.000 11.923 ( -0.000 -0.000 0.000) 0.000 11.923 ( -0.000 0.000 0.000) 0.000 12.416 ( -0.000 -0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.542 ( -0.000 -0.000 -0.000) 0.000 12.542 ( -0.000 0.000 0.000) 0.000 13.332 ( -0.000 -0.000 0.000) 0.000 13.332 ( -0.000 0.000 0.000) 0.000 13.380 ( 0.000 -0.000 0.000) 0.000 13.380 ( 0.000 0.000 0.000) 0.000 13.697 ( 0.000 -0.000 0.000) 0.000 13.697 ( 0.000 0.000 0.000) 0.000 13.732 ( -0.000 -0.000 -0.000) 0.000 13.732 ( -0.000 0.000 0.000) 0.000 15.661 ( 0.000 -0.000 0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 16.278 ( 0.000 0.000 0.000) 0.000 16.278 ( 0.000 0.000 0.000) 0.000 20.769 ( 0.000 0.000 0.000) 0.000 20.769 ( 0.000 0.000 0.000) 0.000 20.835 ( -0.000 -0.000 0.000) 0.000 20.835 ( 0.000 0.000 0.000) 0.000 21.129 ( -0.000 -0.000 0.000) 0.000 21.129 ( -0.000 0.000 0.000) 0.000 21.575 ( 0.000 0.000 0.000) 0.000 21.575 ( 0.000 0.000 0.000) 0.000 22.078 ( -0.000 0.000 0.000) 0.000 22.078 ( 0.000 0.000 0.000) 0.000 22.115 ( 0.000 -0.000 -0.000) 0.000 22.115 ( 0.000 0.000 0.000) 0.000 22.763 ( 0.000 -0.000 0.000) 0.000 22.763 ( -0.000 0.000 0.000) 0.000 22.819 ( -0.000 0.000 -0.000) 0.000 22.819 ( 0.000 -0.000 0.000) 0.000 23.726 ( 0.000 -0.000 0.000) 0.000 23.726 ( 0.000 0.000 0.000) 0.000 23.879 ( 0.000 -0.000 0.000) 0.000 23.879 ( 0.000 0.000 0.000) 0.000 23.921 ( -0.000 -0.000 0.000) 0.000 23.921 ( -0.000 0.000 0.000) 0.000 23.949 ( 0.000 -0.000 0.000) 0.000 23.949 ( 0.000 0.000 0.000) 0.000 24.412 ( -0.000 -0.000 0.000) 0.000 24.412 ( 0.000 0.000 0.000) 0.000 24.610 ( -0.000 -0.000 0.000) 0.000 24.610 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 187 (84/88) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 1.646 -1.878 -2.380) 3.450 1.000 ( 1.646 1.878 -2.380) 3.450 1.245 ( 7.746 -3.853 0.769) 8.686 1.245 ( 7.746 3.853 0.769) 8.686 1.415 ( -1.447 -3.474 -1.063) 3.911 1.415 ( -1.447 3.474 -1.063) 3.911 1.613 ( -1.179 -2.692 0.642) 3.009 1.613 ( -1.179 2.692 0.642) 3.009 1.767 ( 2.846 -8.305 -1.033) 8.839 1.767 ( 2.846 8.305 -1.033) 8.839 1.937 ( 0.212 -6.000 -0.440) 6.020 1.937 ( 0.212 6.000 -0.440) 6.020 2.126 ( 3.583 -1.148 -1.036) 3.902 2.126 ( 3.583 1.148 -1.036) 3.902 2.329 ( 0.014 -5.944 -3.357) 6.827 2.329 ( 0.014 5.944 -3.357) 6.827 2.460 ( -3.109 -3.963 6.840) 8.494 2.460 ( -3.109 3.963 6.840) 8.494 2.560 ( 3.523 -4.113 -1.858) 5.726 2.560 ( 3.523 4.113 -1.858) 5.726 2.928 ( 2.532 -0.755 2.226) 3.455 2.928 ( 2.532 0.755 2.227) 3.455 3.228 ( -0.363 -0.418 1.188) 1.310 3.228 ( -0.363 0.418 1.188) 1.310 3.359 ( -1.754 -8.604 -6.202) 10.750 3.359 ( -1.754 8.604 -6.202) 10.750 3.518 ( 1.292 -6.143 3.778) 7.327 3.518 ( 1.292 6.143 3.778) 7.327 3.764 ( -1.679 -4.744 -2.088) 5.448 3.764 ( -1.679 4.744 -2.088) 5.449 3.822 ( 0.409 -2.562 0.327) 2.615 3.822 ( 0.409 2.561 0.327) 2.614 4.101 ( -1.864 -2.405 0.191) 3.048 4.101 ( -1.864 2.405 0.191) 3.048 4.196 ( 2.782 -6.149 0.906) 6.810 4.196 ( 2.782 6.149 0.906) 6.810 4.459 ( -2.726 -5.546 2.030) 6.505 4.459 ( -2.726 5.546 2.030) 6.505 4.586 ( 3.938 -4.983 -2.907) 6.985 4.586 ( 3.938 4.983 -2.907) 6.985 5.262 ( 0.363 -3.387 2.315) 4.119 5.262 ( 0.363 3.387 2.315) 4.119 5.307 ( 3.081 -6.844 -1.995) 7.766 5.307 ( 3.081 6.844 -1.995) 7.766 5.538 ( -1.111 -9.118 -1.705) 9.343 5.538 ( -1.111 9.118 -1.705) 9.343 5.600 ( 0.079 -7.454 1.979) 7.712 5.600 ( 0.079 7.454 1.979) 7.712 6.206 ( 0.445 -3.952 1.128) 4.134 6.206 ( 0.445 3.952 1.128) 4.134 6.403 ( -2.078 -1.253 -1.524) 2.865 6.403 ( -2.078 1.253 -1.524) 2.865 6.633 ( -0.068 -1.645 -0.656) 1.773 6.633 ( -0.068 1.645 -0.656) 1.773 6.843 ( 0.876 -2.215 1.497) 2.813 6.843 ( 0.876 2.215 1.497) 2.813 7.243 ( 0.601 -1.644 -2.074) 2.714 7.243 ( 0.601 1.644 -2.074) 2.714 7.435 ( -4.304 -5.405 5.484) 8.821 7.435 ( -4.304 5.405 5.484) 8.821 7.529 ( -0.084 -4.770 -5.052) 6.949 7.529 ( -0.084 4.770 -5.052) 6.949 7.821 ( -1.280 -7.815 -2.458) 8.292 7.821 ( -1.280 7.815 -2.458) 8.292 7.940 ( 1.362 -8.660 4.412) 9.815 7.940 ( 1.362 8.660 4.412) 9.815 8.118 ( 0.099 -3.400 -0.921) 3.524 8.118 ( 0.099 3.400 -0.921) 3.524 8.649 ( -0.805 -3.556 0.836) 3.740 8.649 ( -0.805 3.556 0.836) 3.740 8.809 ( 2.237 -3.538 -0.620) 4.232 8.809 ( 2.237 3.538 -0.620) 4.232 9.360 ( -0.296 -0.899 0.395) 1.026 9.360 ( -0.296 0.899 0.395) 1.026 9.849 ( -7.528 -3.698 0.245) 8.391 9.849 ( -7.528 3.698 0.245) 8.391 10.132 ( 8.067 -3.930 -0.186) 8.975 10.132 ( 8.067 3.930 -0.186) 8.975 10.682 ( 1.007 -2.363 0.041) 2.569 10.682 ( 1.007 2.363 0.041) 2.569 10.790 ( 0.584 -2.953 0.181) 3.015 10.790 ( 0.584 2.953 0.181) 3.015 10.893 ( -1.003 -2.501 0.175) 2.701 10.893 ( -1.003 2.501 0.175) 2.701 11.731 ( 1.118 -2.251 -1.166) 2.771 11.731 ( 1.118 2.251 -1.166) 2.771 11.926 ( 0.431 -0.426 -0.340) 0.695 11.926 ( 0.431 0.426 -0.340) 0.695 12.410 ( -0.595 -6.767 0.227) 6.797 12.410 ( -0.595 6.767 0.227) 6.797 12.561 ( 1.040 -6.672 1.541) 6.926 12.561 ( 1.040 6.672 1.541) 6.926 13.251 ( -6.050 -6.185 1.201) 8.735 13.251 ( -6.050 6.185 1.201) 8.735 13.442 ( 3.827 -4.972 -0.317) 6.282 13.442 ( 3.827 4.972 -0.317) 6.282 13.634 ( -3.366 -2.302 -1.444) 4.326 13.634 ( -3.366 2.302 -1.444) 4.326 13.794 ( 4.023 -0.591 -0.369) 4.083 13.794 ( 4.023 0.591 -0.369) 4.083 15.670 ( 1.022 -0.470 0.087) 1.128 15.670 ( 1.022 0.470 0.087) 1.128 16.265 ( -1.426 -0.307 -0.011) 1.459 16.265 ( -1.426 0.307 -0.011) 1.459 20.760 ( -1.345 -0.996 0.713) 1.819 20.760 ( -1.345 0.996 0.713) 1.819 20.821 ( -0.460 -0.436 -1.774) 1.884 20.821 ( -0.460 0.436 -1.774) 1.884 21.157 ( 2.733 -1.294 0.225) 3.032 21.157 ( 2.733 1.294 0.225) 3.032 21.597 ( 1.948 -0.285 0.889) 2.160 21.597 ( 1.948 0.285 0.889) 2.160 22.062 ( -0.376 -1.545 -1.896) 2.475 22.062 ( -0.376 1.545 -1.896) 2.475 22.135 ( 0.514 -0.705 2.472) 2.621 22.135 ( 0.514 0.705 2.472) 2.621 22.732 ( -0.871 -3.044 -5.147) 6.043 22.732 ( -0.871 3.044 -5.147) 6.043 22.827 ( -1.311 -1.941 4.357) 4.946 22.827 ( -1.311 1.941 4.357) 4.946 23.722 ( -0.377 -0.786 0.005) 0.871 23.722 ( -0.377 0.786 0.005) 0.871 23.869 ( -1.071 -1.497 -0.010) 1.841 23.869 ( -1.071 1.497 -0.010) 1.841 23.940 ( 1.786 -5.405 0.157) 5.694 23.940 ( 1.786 5.405 0.157) 5.694 23.963 ( 1.680 -4.380 -0.223) 4.697 23.963 ( 1.680 4.380 -0.223) 4.697 24.421 ( 1.309 -1.238 -0.853) 1.993 24.421 ( 1.309 1.238 -0.853) 1.993 24.613 ( -0.046 -1.889 0.992) 2.134 24.613 ( -0.046 1.889 0.992) 2.134 ======================= Grid point 189 (85/88) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 2.067 -1.380 -3.029) 3.919 1.011 ( 2.067 1.380 -3.029) 3.919 1.346 ( 0.329 -3.839 -1.616) 4.179 1.346 ( 0.329 3.840 -1.616) 4.179 1.433 ( 4.436 -2.715 3.084) 6.046 1.433 ( 4.436 2.715 3.084) 6.046 1.599 ( 0.243 -3.892 -1.108) 4.054 1.599 ( 0.243 3.892 -1.108) 4.054 1.814 ( 3.389 -7.174 -0.893) 7.984 1.814 ( 3.389 7.174 -0.893) 7.984 1.917 ( -2.320 -5.934 -0.651) 6.404 1.917 ( -2.320 5.934 -0.651) 6.404 2.175 ( 2.273 -1.199 -2.363) 3.491 2.175 ( 2.273 1.199 -2.363) 3.491 2.327 ( 1.863 -3.060 -0.851) 3.682 2.327 ( 1.863 3.060 -0.851) 3.682 2.498 ( 3.779 -3.983 3.618) 6.575 2.498 ( 3.779 3.983 3.618) 6.575 2.617 ( 2.534 -6.813 1.955) 7.527 2.617 ( 2.534 6.813 1.955) 7.527 2.998 ( 2.849 -0.864 3.101) 4.299 2.998 ( 2.849 0.864 3.101) 4.299 3.221 ( -0.959 -1.589 0.208) 1.868 3.221 ( -0.959 1.590 0.208) 1.868 3.312 ( 0.763 -9.878 -3.976) 10.675 3.312 ( 0.763 9.878 -3.976) 10.675 3.559 ( 1.114 -4.901 1.929) 5.383 3.559 ( 1.114 4.901 1.929) 5.383 3.717 ( -1.102 -7.027 -3.381) 7.875 3.717 ( -1.102 7.027 -3.381) 7.875 3.845 ( 2.280 -4.970 -0.304) 5.477 3.845 ( 2.280 4.970 -0.304) 5.477 4.073 ( -1.431 -6.312 0.739) 6.514 4.073 ( -1.431 6.312 0.739) 6.514 4.247 ( 1.641 -7.055 1.407) 7.379 4.247 ( 1.641 7.055 1.407) 7.379 4.434 ( -0.948 -5.394 0.680) 5.518 4.434 ( -0.948 5.394 0.680) 5.518 4.625 ( 2.450 -1.293 -2.628) 3.819 4.625 ( 2.450 1.293 -2.628) 3.819 5.282 ( 0.610 -1.613 0.462) 1.785 5.282 ( 0.610 1.613 0.462) 1.785 5.354 ( 2.016 -7.401 0.800) 7.712 5.354 ( 2.016 7.401 0.800) 7.712 5.518 ( 0.042 -7.302 -0.840) 7.351 5.518 ( 0.042 7.302 -0.840) 7.351 5.608 ( -0.125 -5.103 0.403) 5.120 5.608 ( -0.125 5.103 0.403) 5.120 6.217 ( -0.789 -9.088 1.047) 9.182 6.217 ( -0.789 9.088 1.047) 9.182 6.342 ( -2.645 -5.849 -1.928) 6.703 6.342 ( -2.645 5.849 -1.928) 6.703 6.629 ( 0.319 -2.533 -0.674) 2.640 6.629 ( 0.319 2.533 -0.674) 2.640 6.880 ( 1.425 -4.199 2.810) 5.250 6.880 ( 1.425 4.199 2.810) 5.250 7.235 ( 0.562 -2.474 -3.679) 4.469 7.235 ( 0.562 2.474 -3.679) 4.469 7.367 ( -8.021 -5.454 7.533) 12.281 7.367 ( -8.021 5.454 7.533) 12.281 7.502 ( 1.858 -5.512 -6.276) 8.557 7.502 ( 1.858 5.512 -6.276) 8.557 7.796 ( -0.358 -8.429 -0.543) 8.455 7.796 ( -0.358 8.429 -0.543) 8.455 7.984 ( 0.476 -9.466 2.901) 9.912 7.984 ( 0.476 9.466 2.901) 9.912 8.107 ( -0.342 -5.257 -1.689) 5.532 8.107 ( -0.342 5.257 -1.689) 5.532 8.652 ( 0.200 -4.627 1.755) 4.953 8.652 ( 0.200 4.627 1.755) 4.953 8.844 ( 2.065 -5.001 -0.954) 5.494 8.844 ( 2.065 5.001 -0.954) 5.494 9.359 ( -0.084 -1.706 0.563) 1.799 9.359 ( -0.084 1.706 0.563) 1.799 9.721 ( -6.708 -3.075 0.005) 7.379 9.721 ( -6.708 3.075 0.005) 7.379 10.271 ( 7.370 -3.534 -0.035) 8.173 10.271 ( 7.370 3.534 -0.035) 8.173 10.706 ( 1.503 -4.506 -0.031) 4.750 10.706 ( 1.503 4.506 -0.031) 4.750 10.803 ( 0.488 -5.259 0.343) 5.292 10.803 ( 0.488 5.259 0.343) 5.292 10.874 ( -1.114 -5.015 0.150) 5.139 10.874 ( -1.114 5.015 0.150) 5.139 11.754 ( 2.562 -4.020 -1.670) 5.051 11.754 ( 2.562 4.020 -1.670) 5.051 11.932 ( 0.532 -0.986 -0.487) 1.222 11.932 ( 0.532 0.986 -0.487) 1.222 12.402 ( -0.633 -9.136 0.974) 9.210 12.402 ( -0.633 9.136 0.974) 9.210 12.582 ( 0.008 -9.143 0.704) 9.170 12.582 ( 0.008 9.143 0.704) 9.170 13.162 ( -4.938 -4.005 2.456) 6.816 13.162 ( -4.938 4.005 2.456) 6.816 13.493 ( 1.144 -2.424 1.266) 2.965 13.493 ( 1.144 2.424 1.266) 2.965 13.576 ( -0.830 -2.969 -3.127) 4.391 13.576 ( -0.830 2.969 -3.127) 4.391 13.852 ( 2.770 -1.295 -1.038) 3.229 13.852 ( 2.770 1.295 -1.038) 3.229 15.698 ( 1.993 -0.806 0.135) 2.154 15.698 ( 1.993 0.806 0.135) 2.154 16.228 ( -2.671 -0.556 0.010) 2.728 16.228 ( -2.671 0.556 0.010) 2.728 20.731 ( -2.459 -1.910 1.197) 3.335 20.731 ( -2.459 1.910 1.197) 3.335 20.805 ( 0.320 -1.180 -2.568) 2.844 20.805 ( 0.320 1.180 -2.568) 2.844 21.220 ( 3.752 -1.506 0.424) 4.065 21.220 ( 3.752 1.506 0.424) 4.065 21.648 ( 2.729 -0.372 0.873) 2.889 21.648 ( 2.729 0.372 0.873) 2.889 22.049 ( 0.061 -1.640 -0.647) 1.764 22.049 ( 0.061 1.640 -0.647) 1.764 22.158 ( 0.430 -0.274 1.459) 1.546 22.158 ( 0.430 0.274 1.459) 1.546 22.673 ( -1.545 -3.438 -4.744) 6.059 22.673 ( -1.545 3.438 -4.744) 6.059 22.825 ( -2.356 -1.700 3.812) 4.793 22.825 ( -2.356 1.700 3.812) 4.793 23.717 ( -0.298 -1.009 0.345) 1.108 23.717 ( -0.298 1.009 0.345) 1.108 23.843 ( -1.685 -1.001 -0.299) 1.982 23.843 ( -1.685 1.001 -0.299) 1.983 23.974 ( 1.641 -3.863 0.423) 4.219 23.974 ( 1.641 3.863 0.423) 4.219 24.007 ( 3.349 -3.183 -0.456) 4.643 24.007 ( 3.349 3.183 -0.456) 4.643 24.446 ( 2.502 -3.092 -1.536) 4.264 24.446 ( 2.502 3.092 -1.536) 4.264 24.623 ( 0.130 -4.310 1.587) 4.595 24.623 ( 0.130 4.310 1.587) 4.595 ======================= Grid point 191 (86/88) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 2.323 -1.368 -1.031) 2.886 1.036 ( 2.323 1.368 -1.031) 2.886 1.316 ( -2.157 -2.444 -0.437) 3.289 1.316 ( -2.157 2.444 -0.437) 3.289 1.508 ( 1.450 -4.053 3.079) 5.292 1.508 ( 1.450 4.053 3.079) 5.292 1.610 ( 1.768 -5.727 -2.181) 6.378 1.610 ( 1.768 5.727 -2.181) 6.378 1.840 ( -2.997 -3.296 -1.899) 4.842 1.840 ( -2.997 3.296 -1.899) 4.842 1.879 ( 1.382 -3.936 0.531) 4.205 1.879 ( 1.382 3.936 0.531) 4.205 2.199 ( 2.657 -3.689 -0.331) 4.558 2.199 ( 2.657 3.689 -0.331) 4.558 2.361 ( 1.834 -5.196 0.052) 5.510 2.361 ( 1.834 5.196 0.052) 5.511 2.620 ( 6.389 -8.513 0.187) 10.646 2.620 ( 6.389 8.513 0.187) 10.646 2.685 ( 3.339 -9.863 4.124) 11.200 2.685 ( 3.339 9.863 4.124) 11.200 3.061 ( 0.834 -3.412 3.178) 4.737 3.061 ( 0.834 3.412 3.178) 4.737 3.207 ( 0.836 -4.042 -1.712) 4.469 3.207 ( 0.836 4.042 -1.712) 4.469 3.317 ( 1.044 -7.750 -0.604) 7.843 3.317 ( 1.044 7.750 -0.604) 7.843 3.588 ( 1.179 -5.713 0.301) 5.841 3.588 ( 1.179 5.713 0.301) 5.841 3.691 ( 1.740 -9.624 -5.157) 11.056 3.691 ( 1.740 9.624 -5.157) 11.056 3.892 ( 2.928 -3.451 -0.716) 4.582 3.892 ( 2.928 3.451 -0.716) 4.582 4.072 ( 0.776 -7.329 1.062) 7.446 4.072 ( 0.776 7.329 1.062) 7.446 4.267 ( -0.544 -5.365 2.148) 5.805 4.267 ( -0.544 5.365 2.148) 5.805 4.442 ( 1.009 -5.283 1.150) 5.500 4.442 ( 1.009 5.283 1.150) 5.500 4.632 ( 0.759 -2.467 -3.320) 4.206 4.632 ( 0.759 2.467 -3.320) 4.206 5.290 ( 0.429 -1.621 -0.920) 1.913 5.290 ( 0.429 1.621 -0.920) 1.913 5.375 ( -0.910 -2.621 2.587) 3.794 5.375 ( -0.910 2.621 2.587) 3.794 5.523 ( 0.054 -3.804 0.824) 3.893 5.523 ( 0.054 3.804 0.824) 3.893 5.605 ( 0.479 -1.323 -1.848) 2.323 5.605 ( 0.479 1.323 -1.848) 2.323 6.169 ( -4.113 -10.740 -1.238) 11.567 6.169 ( -4.113 10.740 -1.238) 11.567 6.312 ( -0.179 -9.099 0.329) 9.106 6.312 ( -0.179 9.099 0.329) 9.107 6.637 ( 0.906 -2.388 -0.273) 2.569 6.637 ( 0.906 2.388 -0.273) 2.569 6.926 ( 0.879 -5.264 3.230) 6.238 6.926 ( 0.879 5.264 3.230) 6.238 7.205 ( -1.676 -2.353 -1.493) 3.252 7.205 ( -1.676 2.353 -1.493) 3.252 7.287 ( -4.321 -3.379 2.750) 6.136 7.287 ( -4.321 3.379 2.750) 6.136 7.502 ( 1.859 -5.459 -3.609) 6.803 7.502 ( 1.859 5.459 -3.609) 6.803 7.799 ( 0.279 -8.318 1.487) 8.454 7.799 ( 0.279 8.318 1.487) 8.454 7.989 ( -1.066 -8.447 -0.681) 8.541 7.989 ( -1.066 8.447 -0.681) 8.541 8.087 ( -0.483 -4.433 -1.190) 4.615 8.087 ( -0.483 4.433 -1.190) 4.615 8.680 ( 1.133 -4.408 2.302) 5.101 8.680 ( 1.133 4.408 2.302) 5.101 8.866 ( 1.188 -5.252 -1.085) 5.493 8.866 ( 1.188 5.252 -1.085) 5.493 9.366 ( 0.365 -2.044 0.516) 2.140 9.366 ( 0.365 2.044 0.516) 2.140 9.611 ( -5.360 -2.380 -0.277) 5.871 9.611 ( -5.360 2.380 -0.277) 5.871 10.391 ( 5.772 -2.980 0.068) 6.496 10.391 ( 5.772 2.980 0.068) 6.496 10.727 ( 0.860 -5.225 -0.479) 5.317 10.727 ( 0.860 5.225 -0.479) 5.317 10.812 ( 0.075 -8.268 1.149) 8.348 10.812 ( 0.075 8.268 1.149) 8.348 10.861 ( -0.232 -7.989 -0.384) 8.002 10.861 ( -0.232 7.989 -0.384) 8.002 11.798 ( 3.583 -5.329 -1.602) 6.618 11.798 ( 3.583 5.329 -1.602) 6.618 11.936 ( 0.176 -2.799 -0.414) 2.834 11.936 ( 0.176 2.799 -0.414) 2.834 12.403 ( -0.344 -10.397 1.692) 10.539 12.403 ( -0.344 10.397 1.692) 10.539 12.564 ( -1.853 -10.676 -1.174) 10.899 12.564 ( -1.853 10.676 -1.174) 10.899 13.114 ( -2.751 -0.837 3.390) 4.445 13.114 ( -2.751 0.837 3.390) 4.445 13.488 ( -1.994 -2.220 1.067) 3.169 13.488 ( -1.994 2.220 1.067) 3.169 13.578 ( 2.687 -1.895 -2.429) 4.088 13.578 ( 2.687 1.895 -2.429) 4.088 13.877 ( 1.069 -1.737 -1.261) 2.398 13.877 ( 1.069 1.737 -1.261) 2.398 15.742 ( 2.675 -0.909 0.124) 2.828 15.742 ( 2.675 0.909 0.124) 2.828 16.173 ( -3.397 -0.681 0.029) 3.465 16.173 ( -3.397 0.681 0.029) 3.465 20.699 ( -2.008 -1.901 1.587) 3.188 20.699 ( -2.008 1.901 1.587) 3.188 20.793 ( 0.344 -1.456 -2.612) 3.010 20.793 ( 0.344 1.456 -2.612) 3.010 21.290 ( 3.443 -1.147 0.518) 3.666 21.290 ( 3.443 1.147 0.518) 3.666 21.698 ( 2.216 -0.240 0.320) 2.252 21.698 ( 2.216 0.240 0.320) 2.252 22.055 ( 0.388 -1.382 1.114) 1.817 22.055 ( 0.388 1.382 1.114) 1.817 22.168 ( 0.333 -0.569 -0.866) 1.088 22.168 ( 0.333 0.569 -0.866) 1.088 22.622 ( -0.905 -3.194 -2.391) 4.091 22.622 ( -0.905 3.194 -2.391) 4.091 22.794 ( -3.403 -1.567 2.125) 4.307 22.794 ( -3.403 1.567 2.125) 4.307 23.718 ( 0.046 -0.824 0.577) 1.007 23.718 ( 0.046 0.824 0.577) 1.007 23.808 ( -1.796 -0.683 -0.339) 1.951 23.808 ( -1.796 0.683 -0.339) 1.951 24.004 ( 1.273 -2.102 0.516) 2.511 24.004 ( 1.273 2.102 0.516) 2.511 24.063 ( 2.977 -2.322 -0.539) 3.814 24.063 ( 2.977 2.322 -0.539) 3.814 24.490 ( 3.540 -5.907 -1.486) 7.045 24.490 ( 3.540 5.907 -1.486) 7.045 24.636 ( 0.020 -7.060 1.376) 7.193 24.636 ( 0.020 7.060 1.376) 7.193 ======================= Grid point 193 (87/88) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 1.929 -0.846 0.461) 2.156 1.074 ( 1.929 0.846 0.461) 2.156 1.269 ( -2.571 -1.172 -0.175) 2.831 1.269 ( -2.571 1.172 -0.175) 2.831 1.554 ( 1.621 -1.776 2.434) 3.421 1.554 ( 1.621 1.776 2.434) 3.421 1.620 ( 0.770 -4.648 -1.527) 4.952 1.620 ( 0.770 4.648 -1.527) 4.952 1.767 ( -2.854 -3.412 -1.111) 4.584 1.767 ( -2.854 3.412 -1.111) 4.584 1.888 ( -0.656 -1.976 -0.427) 2.126 1.888 ( -0.656 1.976 -0.427) 2.126 2.270 ( 3.607 -3.076 2.017) 5.151 2.270 ( 3.607 3.076 2.017) 5.151 2.389 ( 1.270 -4.913 -0.260) 5.082 2.389 ( 1.270 4.913 -0.260) 5.082 2.702 ( 3.501 -7.842 0.241) 8.591 2.702 ( 3.501 7.842 0.241) 8.591 2.784 ( 3.197 -3.738 2.526) 5.530 2.784 ( 3.197 3.739 2.526) 5.530 3.044 ( -3.003 -4.030 0.159) 5.028 3.044 ( -3.003 4.030 0.159) 5.028 3.251 ( 4.316 -4.478 -1.213) 6.336 3.251 ( 4.316 4.478 -1.213) 6.336 3.329 ( -0.344 -5.582 1.393) 5.764 3.329 ( -0.344 5.582 1.393) 5.764 3.601 ( 0.122 -6.963 0.449) 6.979 3.601 ( 0.122 6.963 0.449) 6.979 3.696 ( 2.488 -9.152 -5.817) 11.126 3.696 ( 2.488 9.152 -5.817) 11.126 3.933 ( 2.167 -1.872 -0.211) 2.872 3.933 ( 2.167 1.872 -0.211) 2.872 4.104 ( 1.660 -3.371 -0.339) 3.773 4.104 ( 1.660 3.371 -0.339) 3.773 4.282 ( 0.420 -3.194 3.713) 4.915 4.282 ( 0.420 3.194 3.713) 4.915 4.461 ( -1.105 -3.851 1.879) 4.425 4.461 ( -1.105 3.851 1.879) 4.425 4.623 ( 1.832 -3.194 -3.810) 5.299 4.623 ( 1.832 3.194 -3.810) 5.299 5.277 ( -0.948 -1.507 -1.535) 2.351 5.277 ( -0.948 1.507 -1.535) 2.351 5.378 ( -0.465 -1.651 2.864) 3.338 5.378 ( -0.465 1.651 2.864) 3.338 5.518 ( -1.042 -3.546 0.396) 3.717 5.518 ( -1.042 3.546 0.396) 3.717 5.600 ( 0.305 -0.731 -1.319) 1.539 5.600 ( 0.305 0.731 -1.319) 1.539 6.087 ( -3.309 -5.715 -1.254) 6.722 6.087 ( -3.309 5.715 -1.254) 6.722 6.320 ( 0.377 -5.243 0.657) 5.297 6.320 ( 0.377 5.243 0.657) 5.297 6.653 ( 0.865 -1.437 0.023) 1.678 6.653 ( 0.865 1.437 0.023) 1.678 6.946 ( -0.675 -3.627 1.884) 4.142 6.946 ( -0.675 3.627 1.884) 4.142 7.179 ( -1.106 -1.086 2.702) 3.115 7.179 ( -1.106 1.086 2.702) 3.115 7.245 ( -0.963 -2.630 -2.422) 3.703 7.245 ( -0.963 2.630 -2.422) 3.703 7.513 ( 1.245 -3.686 -1.512) 4.174 7.513 ( 1.245 3.686 -1.512) 4.174 7.826 ( 0.859 -7.675 3.238) 8.374 7.826 ( 0.859 7.675 3.238) 8.374 7.941 ( -2.134 -6.541 -3.611) 7.770 7.941 ( -2.134 6.541 -3.611) 7.770 8.077 ( -0.148 -1.556 -0.292) 1.591 8.077 ( -0.148 1.556 -0.292) 1.591 8.717 ( 1.070 -3.059 1.762) 3.689 8.717 ( 1.070 3.059 1.762) 3.689 8.873 ( 0.400 -3.819 -0.886) 3.941 8.873 ( 0.400 3.819 -0.886) 3.941 9.378 ( 0.584 -1.583 0.374) 1.728 9.378 ( 0.584 1.583 0.374) 1.728 9.530 ( -3.225 -1.544 -0.353) 3.593 9.530 ( -3.225 1.544 -0.353) 3.593 10.473 ( 3.238 -1.967 0.088) 3.789 10.473 ( 3.238 1.967 0.088) 3.789 10.729 ( -0.075 -3.615 -0.564) 3.660 10.729 ( -0.075 3.615 -0.564) 3.660 10.826 ( 0.282 -8.755 1.576) 8.900 10.826 ( 0.282 8.755 1.576) 8.900 10.856 ( 0.090 -8.441 -0.920) 8.491 10.856 ( 0.090 8.441 -0.920) 8.491 11.851 ( 3.087 -5.901 -1.159) 6.760 11.851 ( 3.087 5.901 -1.159) 6.760 11.932 ( -0.381 -4.836 -0.100) 4.852 11.932 ( -0.381 4.836 -0.100) 4.852 12.417 ( 0.431 -11.706 2.297) 11.937 12.417 ( 0.431 11.706 2.297) 11.937 12.509 ( -2.465 -11.824 -2.286) 12.293 12.509 ( -2.465 11.824 -2.286) 12.293 13.102 ( -1.113 -0.534 2.374) 2.676 13.102 ( -1.113 0.534 2.374) 2.676 13.462 ( -1.152 -1.922 0.230) 2.252 13.462 ( -1.152 1.922 0.230) 2.252 13.612 ( 1.991 -1.588 -0.832) 2.679 13.612 ( 1.991 1.588 -0.832) 2.679 13.877 ( -0.036 -1.451 -0.878) 1.696 13.877 ( -0.036 1.451 -0.878) 1.696 15.790 ( 2.372 -0.687 0.072) 2.471 15.790 ( 2.372 0.687 0.072) 2.471 16.114 ( -2.847 -0.560 0.020) 2.901 16.114 ( -2.847 0.560 0.020) 2.901 20.683 ( -0.997 -1.294 1.488) 2.209 20.683 ( -0.997 1.294 1.488) 2.210 20.780 ( 0.104 -1.124 -1.970) 2.271 20.780 ( 0.104 1.124 -1.970) 2.271 21.344 ( 2.113 -0.625 0.385) 2.237 21.344 ( 2.113 0.625 0.385) 2.237 21.729 ( 1.103 -0.228 -0.018) 1.126 21.729 ( 1.103 0.228 -0.018) 1.126 22.075 ( 0.359 -1.028 2.363) 2.602 22.075 ( 0.359 1.028 2.363) 2.602 22.157 ( 0.050 -0.826 -2.793) 2.913 22.157 ( 0.050 0.826 -2.793) 2.913 22.616 ( 1.203 -2.704 0.095) 2.961 22.616 ( 1.203 2.704 0.095) 2.961 22.735 ( -3.958 -1.823 0.269) 4.367 22.735 ( -3.958 1.823 0.269) 4.367 23.725 ( 0.314 -0.413 0.353) 0.628 23.725 ( 0.314 0.413 0.353) 0.628 23.778 ( -1.295 -0.348 -0.097) 1.345 23.778 ( -1.295 0.348 -0.097) 1.345 24.025 ( 0.673 -1.064 0.397) 1.320 24.025 ( 0.673 1.064 0.397) 1.320 24.101 ( 1.556 -1.348 -0.391) 2.095 24.101 ( 1.556 1.348 -0.391) 2.095 24.548 ( 3.596 -8.311 -0.879) 9.099 24.548 ( 3.596 8.311 -0.879) 9.099 24.637 ( -0.873 -8.872 0.753) 8.947 24.637 ( -0.873 8.872 0.753) 8.947 ======================= Grid point 195 (88/88) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.008 -0.002 -0.000) 0.009 1.098 ( 0.008 0.002 -0.000) 0.009 1.240 ( 0.002 -0.000 0.001) 0.002 1.240 ( 0.002 0.000 0.001) 0.002 1.587 ( 0.000 -0.001 -0.000) 0.001 1.587 ( 0.000 0.001 -0.000) 0.001 1.615 ( 0.001 -0.000 0.000) 0.001 1.615 ( 0.001 0.000 0.000) 0.001 1.737 ( 0.002 -0.002 0.000) 0.002 1.737 ( 0.002 0.002 0.000) 0.002 1.874 ( 0.008 -0.003 -0.000) 0.008 1.874 ( 0.008 0.003 -0.000) 0.008 2.316 ( 0.004 -0.001 -0.002) 0.004 2.316 ( 0.004 0.001 -0.002) 0.004 2.400 ( -0.000 -0.001 0.001) 0.001 2.400 ( -0.000 0.001 0.001) 0.001 2.750 ( 0.004 -0.014 -0.001) 0.015 2.750 ( 0.004 0.014 -0.001) 0.015 2.808 ( 0.000 -0.012 0.001) 0.012 2.808 ( 0.000 0.012 0.001) 0.012 3.012 ( 0.013 -0.006 0.008) 0.016 3.012 ( 0.013 0.006 0.008) 0.016 3.302 ( 0.018 -0.014 -0.026) 0.034 3.302 ( 0.018 0.014 -0.026) 0.035 3.320 ( -0.011 -0.014 0.025) 0.031 3.320 ( -0.011 0.014 0.025) 0.031 3.605 ( 0.003 -0.012 -0.002) 0.012 3.605 ( 0.003 0.012 -0.002) 0.012 3.693 ( 0.002 -0.010 -0.003) 0.010 3.693 ( 0.002 0.010 -0.003) 0.010 3.957 ( 0.008 -0.003 -0.002) 0.009 3.957 ( 0.008 0.003 -0.002) 0.009 4.114 ( 0.001 -0.001 -0.001) 0.002 4.114 ( 0.001 0.001 -0.001) 0.002 4.316 ( -0.000 -0.006 0.002) 0.006 4.316 ( -0.000 0.006 0.002) 0.006 4.440 ( 0.004 -0.006 -0.001) 0.007 4.440 ( 0.004 0.006 -0.002) 0.007 4.635 ( 0.002 -0.003 0.002) 0.004 4.635 ( 0.002 0.003 0.002) 0.004 5.256 ( 0.001 -0.001 0.001) 0.001 5.256 ( 0.001 0.001 0.001) 0.001 5.389 ( 0.006 -0.002 -0.002) 0.007 5.389 ( 0.006 0.002 -0.002) 0.007 5.506 ( 0.002 -0.003 0.002) 0.004 5.506 ( 0.002 0.003 0.002) 0.004 5.598 ( 0.001 -0.002 -0.001) 0.003 5.598 ( 0.001 0.002 -0.001) 0.003 6.050 ( 0.001 -0.001 -0.000) 0.001 6.050 ( 0.001 0.001 -0.000) 0.001 6.327 ( 0.001 -0.000 0.001) 0.001 6.327 ( 0.001 0.000 0.001) 0.001 6.662 ( 0.001 -0.001 -0.000) 0.001 6.662 ( 0.001 0.001 -0.000) 0.001 6.943 ( 0.000 -0.001 0.000) 0.001 6.943 ( 0.000 0.001 0.000) 0.001 7.191 ( 0.000 -0.001 -0.001) 0.001 7.191 ( 0.000 0.001 -0.001) 0.001 7.219 ( 0.000 -0.001 0.000) 0.001 7.219 ( 0.000 0.001 0.000) 0.001 7.519 ( 0.003 -0.000 -0.001) 0.003 7.519 ( 0.003 0.000 -0.001) 0.003 7.871 ( -0.004 -0.014 0.004) 0.015 7.871 ( -0.004 0.014 0.004) 0.015 7.881 ( 0.007 -0.015 -0.006) 0.018 7.881 ( 0.007 0.015 -0.006) 0.018 8.074 ( -0.000 -0.003 0.003) 0.005 8.074 ( -0.000 0.003 0.003) 0.005 8.734 ( 0.000 -0.001 -0.001) 0.001 8.734 ( 0.000 0.001 -0.001) 0.001 8.872 ( 0.002 -0.001 0.000) 0.002 8.872 ( 0.002 0.001 0.000) 0.002 9.386 ( 0.001 -0.000 0.000) 0.001 9.386 ( 0.001 0.000 0.000) 0.001 9.498 ( 0.000 -0.000 -0.000) 0.000 9.498 ( 0.000 0.000 -0.000) 0.000 10.503 ( 0.000 -0.000 -0.000) 0.000 10.503 ( 0.000 0.000 -0.000) 0.000 10.725 ( 0.000 -0.000 -0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.001 -0.004 -0.000) 0.005 10.837 ( 0.001 0.004 -0.000) 0.005 10.851 ( 0.000 -0.004 0.000) 0.004 10.851 ( 0.000 0.004 0.000) 0.004 11.879 ( 0.000 -0.002 0.001) 0.002 11.879 ( 0.000 0.002 0.001) 0.003 11.925 ( 0.001 -0.001 -0.001) 0.002 11.925 ( 0.001 0.001 -0.001) 0.002 12.448 ( -0.001 -0.021 -0.001) 0.021 12.448 ( -0.001 0.021 -0.001) 0.021 12.458 ( 0.002 -0.021 0.001) 0.021 12.458 ( 0.002 0.021 0.001) 0.021 13.102 ( 0.000 -0.000 -0.000) 0.000 13.102 ( 0.000 0.000 -0.000) 0.000 13.453 ( 0.000 -0.000 0.000) 0.000 13.453 ( 0.000 0.000 0.000) 0.000 13.628 ( 0.003 -0.001 -0.000) 0.003 13.628 ( 0.003 0.001 -0.000) 0.003 13.872 ( -0.000 -0.001 -0.000) 0.001 13.872 ( -0.000 0.001 -0.000) 0.001 15.815 ( 0.000 -0.000 0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 16.085 ( 0.000 -0.000 0.000) 0.000 16.085 ( 0.000 0.000 0.000) 0.000 20.681 ( 0.000 -0.001 -0.000) 0.001 20.681 ( 0.000 0.001 -0.000) 0.001 20.773 ( 0.001 -0.001 0.000) 0.002 20.773 ( 0.001 0.001 0.000) 0.002 21.365 ( 0.000 -0.000 -0.000) 0.001 21.365 ( 0.000 0.000 -0.000) 0.001 21.739 ( 0.001 -0.000 0.000) 0.001 21.739 ( 0.001 0.000 0.000) 0.001 22.092 ( 0.001 -0.000 -0.000) 0.001 22.092 ( 0.001 0.000 -0.000) 0.001 22.142 ( 0.001 -0.000 0.000) 0.001 22.142 ( 0.001 0.000 0.000) 0.001 22.653 ( 0.001 -0.001 0.000) 0.001 22.653 ( 0.001 0.001 0.000) 0.001 22.674 ( -0.001 -0.001 -0.000) 0.001 22.674 ( -0.001 0.001 -0.000) 0.001 23.730 ( 0.001 -0.000 -0.001) 0.001 23.730 ( 0.001 0.000 -0.001) 0.001 23.765 ( -0.000 -0.000 0.000) 0.001 23.765 ( -0.000 0.000 0.000) 0.001 24.033 ( 0.001 -0.000 0.000) 0.001 24.033 ( 0.001 0.000 0.000) 0.001 24.113 ( 0.001 -0.000 -0.000) 0.001 24.113 ( 0.001 0.000 -0.000) 0.001 24.588 ( 0.001 -0.001 0.000) 0.001 24.588 ( 0.001 0.001 0.000) 0.001 24.622 ( 0.001 -0.001 0.000) 0.001 24.622 ( 0.001 0.001 0.000) 0.001 =================== 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 3/31680 10.0 82.762 47.786 71.695 0.000 -15.213 0.000 3/31680 20.0 14.701 9.571 13.191 0.000 -2.812 0.000 3/31680 30.0 6.715 4.767 6.100 0.000 -1.340 0.000 3/31680 40.0 4.210 3.218 3.891 0.000 -0.875 0.000 3/31680 50.0 3.063 2.498 2.893 0.000 -0.667 0.000 3/31680 60.0 2.420 2.090 2.339 0.000 -0.554 0.000 3/31680 70.0 2.012 1.826 1.987 0.000 -0.483 0.000 3/31680 80.0 1.729 1.640 1.741 0.000 -0.433 0.000 3/31680 90.0 1.521 1.498 1.557 0.000 -0.394 0.000 3/31680 100.0 1.362 1.385 1.411 0.000 -0.363 0.000 3/31680 110.0 1.235 1.291 1.293 0.000 -0.336 0.000 3/31680 120.0 1.131 1.211 1.194 0.000 -0.313 0.000 3/31680 130.0 1.044 1.142 1.109 0.000 -0.293 0.000 3/31680 140.0 0.970 1.080 1.036 0.000 -0.276 0.000 3/31680 150.0 0.907 1.025 0.972 0.000 -0.260 0.000 3/31680 160.0 0.852 0.976 0.916 0.000 -0.245 0.000 3/31680 170.0 0.803 0.931 0.865 0.000 -0.233 0.000 3/31680 180.0 0.760 0.890 0.821 0.000 -0.221 0.000 3/31680 190.0 0.721 0.852 0.780 0.000 -0.210 0.000 3/31680 200.0 0.687 0.818 0.744 0.000 -0.201 0.000 3/31680 210.0 0.655 0.786 0.710 0.000 -0.192 0.000 3/31680 220.0 0.627 0.757 0.680 0.000 -0.184 0.000 3/31680 230.0 0.600 0.730 0.652 0.000 -0.176 0.000 3/31680 240.0 0.577 0.704 0.626 0.000 -0.169 0.000 3/31680 250.0 0.555 0.681 0.603 0.000 -0.163 0.000 3/31680 260.0 0.534 0.659 0.581 0.000 -0.157 0.000 3/31680 270.0 0.515 0.638 0.560 0.000 -0.152 0.000 3/31680 280.0 0.498 0.619 0.541 0.000 -0.146 0.000 3/31680 290.0 0.481 0.601 0.524 0.000 -0.142 0.000 3/31680 300.0 0.466 0.583 0.507 0.000 -0.137 0.000 3/31680 310.0 0.452 0.567 0.492 0.000 -0.133 0.000 3/31680 320.0 0.438 0.552 0.477 0.000 -0.129 0.000 3/31680 330.0 0.425 0.537 0.463 0.000 -0.125 0.000 3/31680 340.0 0.414 0.524 0.450 0.000 -0.121 0.000 3/31680 350.0 0.402 0.511 0.438 0.000 -0.118 0.000 3/31680 360.0 0.392 0.498 0.426 0.000 -0.115 0.000 3/31680 370.0 0.381 0.486 0.415 0.000 -0.112 0.000 3/31680 380.0 0.372 0.475 0.405 0.000 -0.109 0.000 3/31680 390.0 0.363 0.464 0.395 0.000 -0.106 0.000 3/31680 400.0 0.354 0.454 0.385 0.000 -0.104 0.000 3/31680 410.0 0.346 0.444 0.376 0.000 -0.101 0.000 3/31680 420.0 0.338 0.435 0.368 0.000 -0.099 0.000 3/31680 430.0 0.330 0.426 0.359 0.000 -0.097 0.000 3/31680 440.0 0.323 0.417 0.352 0.000 -0.094 0.000 3/31680 450.0 0.316 0.409 0.344 0.000 -0.092 0.000 3/31680 460.0 0.309 0.401 0.337 0.000 -0.090 0.000 3/31680 470.0 0.303 0.393 0.330 0.000 -0.088 0.000 3/31680 480.0 0.297 0.385 0.323 0.000 -0.087 0.000 3/31680 490.0 0.291 0.378 0.317 0.000 -0.085 0.000 3/31680 500.0 0.286 0.371 0.311 0.000 -0.083 0.000 3/31680 510.0 0.280 0.365 0.305 0.000 -0.082 0.000 3/31680 520.0 0.275 0.358 0.299 0.000 -0.080 0.000 3/31680 530.0 0.270 0.352 0.294 0.000 -0.079 0.000 3/31680 540.0 0.265 0.346 0.288 0.000 -0.077 0.000 3/31680 550.0 0.260 0.340 0.283 0.000 -0.076 0.000 3/31680 560.0 0.256 0.335 0.278 0.000 -0.074 0.000 3/31680 570.0 0.252 0.329 0.274 0.000 -0.073 0.000 3/31680 580.0 0.247 0.324 0.269 0.000 -0.072 0.000 3/31680 590.0 0.243 0.319 0.265 0.000 -0.071 0.000 3/31680 600.0 0.239 0.314 0.260 0.000 -0.069 0.000 3/31680 610.0 0.236 0.309 0.256 0.000 -0.068 0.000 3/31680 620.0 0.232 0.304 0.252 0.000 -0.067 0.000 3/31680 630.0 0.228 0.300 0.248 0.000 -0.066 0.000 3/31680 640.0 0.225 0.296 0.244 0.000 -0.065 0.000 3/31680 650.0 0.221 0.291 0.241 0.000 -0.064 0.000 3/31680 660.0 0.218 0.287 0.237 0.000 -0.063 0.000 3/31680 670.0 0.215 0.283 0.234 0.000 -0.062 0.000 3/31680 680.0 0.212 0.279 0.230 0.000 -0.061 0.000 3/31680 690.0 0.209 0.275 0.227 0.000 -0.061 0.000 3/31680 700.0 0.206 0.272 0.224 0.000 -0.060 0.000 3/31680 710.0 0.203 0.268 0.221 0.000 -0.059 0.000 3/31680 720.0 0.200 0.265 0.218 0.000 -0.058 0.000 3/31680 730.0 0.198 0.261 0.215 0.000 -0.057 0.000 3/31680 740.0 0.195 0.258 0.212 0.000 -0.056 0.000 3/31680 750.0 0.192 0.254 0.209 0.000 -0.056 0.000 3/31680 760.0 0.190 0.251 0.207 0.000 -0.055 0.000 3/31680 770.0 0.188 0.248 0.204 0.000 -0.054 0.000 3/31680 780.0 0.185 0.245 0.201 0.000 -0.054 0.000 3/31680 790.0 0.183 0.242 0.199 0.000 -0.053 0.000 3/31680 800.0 0.181 0.239 0.196 0.000 -0.052 0.000 3/31680 810.0 0.178 0.237 0.194 0.000 -0.052 0.000 3/31680 820.0 0.176 0.234 0.192 0.000 -0.051 0.000 3/31680 830.0 0.174 0.231 0.189 0.000 -0.050 0.000 3/31680 840.0 0.172 0.228 0.187 0.000 -0.050 0.000 3/31680 850.0 0.170 0.226 0.185 0.000 -0.049 0.000 3/31680 860.0 0.168 0.223 0.183 0.000 -0.049 0.000 3/31680 870.0 0.166 0.221 0.181 0.000 -0.048 0.000 3/31680 880.0 0.165 0.218 0.179 0.000 -0.048 0.000 3/31680 890.0 0.163 0.216 0.177 0.000 -0.047 0.000 3/31680 900.0 0.161 0.214 0.175 0.000 -0.046 0.000 3/31680 910.0 0.159 0.212 0.173 0.000 -0.046 0.000 3/31680 920.0 0.157 0.209 0.171 0.000 -0.045 0.000 3/31680 930.0 0.156 0.207 0.169 0.000 -0.045 0.000 3/31680 940.0 0.154 0.205 0.168 0.000 -0.044 0.000 3/31680 950.0 0.153 0.203 0.166 0.000 -0.044 0.000 3/31680 960.0 0.151 0.201 0.164 0.000 -0.044 0.000 3/31680 970.0 0.149 0.199 0.162 0.000 -0.043 0.000 3/31680 980.0 0.148 0.197 0.161 0.000 -0.043 0.000 3/31680 990.0 0.147 0.195 0.159 0.000 -0.042 0.000 3/31680 1000.0 0.145 0.193 0.158 0.000 -0.042 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1064.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:39:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|