----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:47:48]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.378930575017727 -4.471895800000000 0.000000000000000 b 3.378930575017727 4.471895800000000 0.000000000000000 c -3.064196069261211 0.000000000000000 6.594006984519632 Atomic positions (fractional): *1 O 0.08113962576981 0.91886037423019 0.25000000000000 15.999 2 O 0.91886037423019 0.08113962576981 0.75000000000000 15.999 *3 O 0.08905235106117 0.68534837061586 0.88272790246362 15.999 4 O 0.31465162938414 0.91094764893883 0.61727209753638 15.999 5 O 0.91094764893883 0.31465162938414 0.11727209753638 15.999 6 O 0.68534837061586 0.08905235106117 0.38272790246362 15.999 *7 O 0.37301448908267 0.24465037564508 0.07636037869810 15.999 8 O 0.75534962435492 0.62698551091733 0.42363962130190 15.999 9 O 0.62698551091733 0.75534962435492 0.92363962130190 15.999 10 O 0.24465037564507 0.37301448908267 0.57636037869810 15.999 *11 Na 0.33475150082780 0.66524849917220 0.25000000000000 22.990 12 Na 0.66524849917220 0.33475150082780 0.75000000000000 22.990 *13 Ge 0.31247534712715 0.68752465287285 0.75000000000000 72.640 14 Ge 0.68752465287285 0.31247534712715 0.25000000000000 72.640 *15 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 16 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.757861150035454 0.000000000000000 0.000000000000000 b 0.000000000000000 8.943791599999999 0.000000000000000 c -3.064196069261211 0.000000000000000 6.594006984519632 Atomic positions (fractional): *1 O 0.50000000000000 0.41886037423019 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.58113962576981 0.75000000000000 15.999 > 2 *3 O 0.38720036083852 0.29814800977735 0.88272790246362 15.999 > 3 4 O 0.61279963916148 0.29814800977735 0.61727209753638 15.999 > 4 5 O 0.61279963916148 0.70185199022265 0.11727209753638 15.999 > 5 6 O 0.38720036083852 0.70185199022265 0.38272790246362 15.999 > 6 *7 O 0.30883243236387 0.93581794328120 0.07636037869810 15.999 > 7 8 O 0.69116756763613 0.93581794328120 0.42363962130190 15.999 > 8 9 O 0.69116756763613 0.06418205671880 0.92363962130190 15.999 > 9 10 O 0.30883243236387 0.06418205671880 0.57636037869810 15.999 > 10 11 O 0.00000000000000 0.91886037423019 0.25000000000000 15.999 > 1 12 O 0.00000000000000 0.08113962576981 0.75000000000000 15.999 > 2 13 O 0.88720036083852 0.79814800977735 0.88272790246362 15.999 > 3 14 O 0.11279963916148 0.79814800977735 0.61727209753638 15.999 > 4 15 O 0.11279963916148 0.20185199022265 0.11727209753638 15.999 > 5 16 O 0.88720036083852 0.20185199022265 0.38272790246362 15.999 > 6 17 O 0.80883243236387 0.43581794328120 0.07636037869810 15.999 > 7 18 O 0.19116756763613 0.43581794328120 0.42363962130190 15.999 > 8 19 O 0.19116756763613 0.56418205671880 0.92363962130190 15.999 > 9 20 O 0.80883243236387 0.56418205671880 0.57636037869810 15.999 > 10 *21 Na 0.50000000000000 0.16524849917220 0.25000000000000 22.990 > 11 22 Na 0.50000000000000 0.83475150082780 0.75000000000000 22.990 > 12 23 Na 0.00000000000000 0.66524849917220 0.25000000000000 22.990 > 11 24 Na 0.00000000000000 0.33475150082780 0.75000000000000 22.990 > 12 *25 Ge 0.50000000000000 0.18752465287285 0.75000000000000 72.640 > 13 26 Ge 0.50000000000000 0.81247534712715 0.25000000000000 72.640 > 14 27 Ge 0.00000000000000 0.68752465287285 0.75000000000000 72.640 > 13 28 Ge 0.00000000000000 0.31247534712715 0.25000000000000 72.640 > 14 *29 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 15 30 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 16 31 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 15 32 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.515722300070909 0.000000000000000 0.000000000000000 b 0.000000000000000 8.943791599999999 0.000000000000000 c -6.128392138522422 0.000000000000000 13.188013969039265 Atomic positions (fractional): *1 O 0.25000000000000 0.41886037423019 0.12500000000000 15.999 > 1 2 O 0.75000000000000 0.41886037423019 0.12500000000000 15.999 > 1 3 O 0.25000000000000 0.41886037423019 0.62500000000000 15.999 > 1 4 O 0.75000000000000 0.41886037423019 0.62500000000000 15.999 > 1 5 O 0.25000000000000 0.58113962576981 0.37500000000000 15.999 > 2 6 O 0.75000000000000 0.58113962576981 0.37500000000000 15.999 > 2 7 O 0.25000000000000 0.58113962576981 0.87500000000000 15.999 > 2 8 O 0.75000000000000 0.58113962576981 0.87500000000000 15.999 > 2 *9 O 0.19360018041926 0.29814800977735 0.44136395123181 15.999 > 3 10 O 0.69360018041926 0.29814800977735 0.44136395123181 15.999 > 3 11 O 0.19360018041926 0.29814800977735 0.94136395123181 15.999 > 3 12 O 0.69360018041926 0.29814800977735 0.94136395123181 15.999 > 3 13 O 0.30639981958074 0.29814800977735 0.30863604876819 15.999 > 4 14 O 0.80639981958074 0.29814800977735 0.30863604876819 15.999 > 4 15 O 0.30639981958074 0.29814800977735 0.80863604876819 15.999 > 4 16 O 0.80639981958074 0.29814800977735 0.80863604876819 15.999 > 4 17 O 0.30639981958074 0.70185199022265 0.05863604876819 15.999 > 5 18 O 0.80639981958074 0.70185199022265 0.05863604876819 15.999 > 5 19 O 0.30639981958074 0.70185199022265 0.55863604876819 15.999 > 5 20 O 0.80639981958074 0.70185199022265 0.55863604876819 15.999 > 5 21 O 0.19360018041926 0.70185199022265 0.19136395123181 15.999 > 6 22 O 0.69360018041926 0.70185199022265 0.19136395123181 15.999 > 6 23 O 0.19360018041926 0.70185199022265 0.69136395123181 15.999 > 6 24 O 0.69360018041926 0.70185199022265 0.69136395123181 15.999 > 6 *25 O 0.15441621618194 0.93581794328120 0.03818018934905 15.999 > 7 26 O 0.65441621618194 0.93581794328120 0.03818018934905 15.999 > 7 27 O 0.15441621618194 0.93581794328120 0.53818018934905 15.999 > 7 28 O 0.65441621618194 0.93581794328120 0.53818018934905 15.999 > 7 29 O 0.34558378381806 0.93581794328120 0.21181981065095 15.999 > 8 30 O 0.84558378381806 0.93581794328120 0.21181981065095 15.999 > 8 31 O 0.34558378381806 0.93581794328120 0.71181981065095 15.999 > 8 32 O 0.84558378381806 0.93581794328120 0.71181981065095 15.999 > 8 33 O 0.34558378381806 0.06418205671880 0.46181981065095 15.999 > 9 34 O 0.84558378381806 0.06418205671880 0.46181981065095 15.999 > 9 35 O 0.34558378381806 0.06418205671880 0.96181981065095 15.999 > 9 36 O 0.84558378381806 0.06418205671880 0.96181981065095 15.999 > 9 37 O 0.15441621618194 0.06418205671880 0.28818018934905 15.999 > 10 38 O 0.65441621618194 0.06418205671880 0.28818018934905 15.999 > 10 39 O 0.15441621618194 0.06418205671880 0.78818018934905 15.999 > 10 40 O 0.65441621618194 0.06418205671880 0.78818018934905 15.999 > 10 41 O 0.00000000000000 0.91886037423019 0.12500000000000 15.999 > 1 42 O 0.50000000000000 0.91886037423019 0.12500000000000 15.999 > 1 43 O 0.00000000000000 0.91886037423019 0.62500000000000 15.999 > 1 44 O 0.50000000000000 0.91886037423019 0.62500000000000 15.999 > 1 45 O 0.00000000000000 0.08113962576981 0.37500000000000 15.999 > 2 46 O 0.50000000000000 0.08113962576981 0.37500000000000 15.999 > 2 47 O 0.00000000000000 0.08113962576981 0.87500000000000 15.999 > 2 48 O 0.50000000000000 0.08113962576981 0.87500000000000 15.999 > 2 49 O 0.44360018041926 0.79814800977735 0.44136395123181 15.999 > 3 50 O 0.94360018041926 0.79814800977735 0.44136395123181 15.999 > 3 51 O 0.44360018041926 0.79814800977735 0.94136395123181 15.999 > 3 52 O 0.94360018041926 0.79814800977735 0.94136395123181 15.999 > 3 53 O 0.05639981958074 0.79814800977735 0.30863604876819 15.999 > 4 54 O 0.55639981958074 0.79814800977735 0.30863604876819 15.999 > 4 55 O 0.05639981958074 0.79814800977735 0.80863604876819 15.999 > 4 56 O 0.55639981958074 0.79814800977735 0.80863604876819 15.999 > 4 57 O 0.05639981958074 0.20185199022265 0.05863604876819 15.999 > 5 58 O 0.55639981958074 0.20185199022265 0.05863604876819 15.999 > 5 59 O 0.05639981958074 0.20185199022265 0.55863604876819 15.999 > 5 60 O 0.55639981958074 0.20185199022265 0.55863604876819 15.999 > 5 61 O 0.44360018041926 0.20185199022265 0.19136395123181 15.999 > 6 62 O 0.94360018041926 0.20185199022265 0.19136395123181 15.999 > 6 63 O 0.44360018041926 0.20185199022265 0.69136395123181 15.999 > 6 64 O 0.94360018041926 0.20185199022265 0.69136395123181 15.999 > 6 65 O 0.40441621618194 0.43581794328120 0.03818018934905 15.999 > 7 66 O 0.90441621618194 0.43581794328120 0.03818018934905 15.999 > 7 67 O 0.40441621618194 0.43581794328120 0.53818018934905 15.999 > 7 68 O 0.90441621618194 0.43581794328120 0.53818018934905 15.999 > 7 69 O 0.09558378381806 0.43581794328120 0.21181981065095 15.999 > 8 70 O 0.59558378381806 0.43581794328120 0.21181981065095 15.999 > 8 71 O 0.09558378381806 0.43581794328120 0.71181981065095 15.999 > 8 72 O 0.59558378381806 0.43581794328120 0.71181981065095 15.999 > 8 73 O 0.09558378381806 0.56418205671880 0.46181981065095 15.999 > 9 74 O 0.59558378381806 0.56418205671880 0.46181981065095 15.999 > 9 75 O 0.09558378381806 0.56418205671880 0.96181981065095 15.999 > 9 76 O 0.59558378381806 0.56418205671880 0.96181981065095 15.999 > 9 77 O 0.40441621618194 0.56418205671880 0.28818018934905 15.999 > 10 78 O 0.90441621618194 0.56418205671880 0.28818018934905 15.999 > 10 79 O 0.40441621618194 0.56418205671880 0.78818018934905 15.999 > 10 80 O 0.90441621618194 0.56418205671880 0.78818018934905 15.999 > 10 *81 Na 0.25000000000000 0.16524849917220 0.12500000000000 22.990 > 11 82 Na 0.75000000000000 0.16524849917220 0.12500000000000 22.990 > 11 83 Na 0.25000000000000 0.16524849917220 0.62500000000000 22.990 > 11 84 Na 0.75000000000000 0.16524849917220 0.62500000000000 22.990 > 11 85 Na 0.25000000000000 0.83475150082780 0.37500000000000 22.990 > 12 86 Na 0.75000000000000 0.83475150082780 0.37500000000000 22.990 > 12 87 Na 0.25000000000000 0.83475150082780 0.87500000000000 22.990 > 12 88 Na 0.75000000000000 0.83475150082780 0.87500000000000 22.990 > 12 89 Na 0.00000000000000 0.66524849917220 0.12500000000000 22.990 > 11 90 Na 0.50000000000000 0.66524849917220 0.12500000000000 22.990 > 11 91 Na 0.00000000000000 0.66524849917220 0.62500000000000 22.990 > 11 92 Na 0.50000000000000 0.66524849917220 0.62500000000000 22.990 > 11 93 Na 0.00000000000000 0.33475150082780 0.37500000000000 22.990 > 12 94 Na 0.50000000000000 0.33475150082780 0.37500000000000 22.990 > 12 95 Na 0.00000000000000 0.33475150082780 0.87500000000000 22.990 > 12 96 Na 0.50000000000000 0.33475150082780 0.87500000000000 22.990 > 12 *97 Ge 0.25000000000000 0.18752465287285 0.37500000000000 72.640 > 13 98 Ge 0.75000000000000 0.18752465287285 0.37500000000000 72.640 > 13 99 Ge 0.25000000000000 0.18752465287285 0.87500000000000 72.640 > 13 100 Ge 0.75000000000000 0.18752465287285 0.87500000000000 72.640 > 13 101 Ge 0.25000000000000 0.81247534712715 0.12500000000000 72.640 > 14 102 Ge 0.75000000000000 0.81247534712715 0.12500000000000 72.640 > 14 103 Ge 0.25000000000000 0.81247534712715 0.62500000000000 72.640 > 14 104 Ge 0.75000000000000 0.81247534712715 0.62500000000000 72.640 > 14 105 Ge 0.00000000000000 0.68752465287285 0.37500000000000 72.640 > 13 106 Ge 0.50000000000000 0.68752465287285 0.37500000000000 72.640 > 13 107 Ge 0.00000000000000 0.68752465287285 0.87500000000000 72.640 > 13 108 Ge 0.50000000000000 0.68752465287285 0.87500000000000 72.640 > 13 109 Ge 0.00000000000000 0.31247534712715 0.12500000000000 72.640 > 14 110 Ge 0.50000000000000 0.31247534712715 0.12500000000000 72.640 > 14 111 Ge 0.00000000000000 0.31247534712715 0.62500000000000 72.640 > 14 112 Ge 0.50000000000000 0.31247534712715 0.62500000000000 72.640 > 14 *113 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 15 114 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 15 115 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 15 116 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 15 117 Sb 0.00000000000000 0.00000000000000 0.25000000000000 121.760 > 16 118 Sb 0.50000000000000 0.00000000000000 0.25000000000000 121.760 > 16 119 Sb 0.00000000000000 0.00000000000000 0.75000000000000 121.760 > 16 120 Sb 0.50000000000000 0.00000000000000 0.75000000000000 121.760 > 16 121 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 15 122 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 15 123 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 15 124 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 15 125 Sb 0.25000000000000 0.50000000000000 0.25000000000000 121.760 > 16 126 Sb 0.75000000000000 0.50000000000000 0.25000000000000 121.760 > 16 127 Sb 0.25000000000000 0.50000000000000 0.75000000000000 121.760 > 16 128 Sb 0.75000000000000 0.50000000000000 0.75000000000000 121.760 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4614649 0.0000000 0.0425473 0.0000000 3.5884371 0.0000000 0.0425507 0.0000000 3.7168099 -------------------------- Born effective charges -------------------------- 1 O -1.5535968 0.0000000 0.7484146 0.0000000 -1.4516298 0.0000000 0.6016439 0.0000000 -2.7051359 2 O -1.5535968 0.0000000 0.7484146 0.0000000 -1.4516298 0.0000000 0.6016439 0.0000000 -2.7051359 3 O -1.4662141 0.2562812 0.1774186 0.3384805 -2.2771533 -0.6396872 0.2635705 -0.6394214 -1.7127579 4 O -1.4662141 -0.2562812 0.1774186 -0.3384805 -2.2771533 0.6396872 0.2635705 0.6394214 -1.7127579 5 O -1.4662141 0.2562812 0.1774186 0.3384805 -2.2771533 -0.6396872 0.2635705 -0.6394214 -1.7127579 6 O -1.4662141 -0.2562812 0.1774186 -0.3384805 -2.2771533 0.6396872 0.2635705 0.6394214 -1.7127579 7 O -2.2462053 0.6977297 -0.7167568 0.6460051 -1.7386371 0.4282433 -0.6569235 0.4615675 -1.7268659 8 O -2.2462053 -0.6977297 -0.7167568 -0.6460051 -1.7386371 -0.4282433 -0.6569235 -0.4615675 -1.7268659 9 O -2.2462053 0.6977297 -0.7167568 0.6460051 -1.7386371 0.4282433 -0.6569235 0.4615675 -1.7268659 10 O -2.2462053 -0.6977297 -0.7167568 -0.6460051 -1.7386371 -0.4282433 -0.6569235 -0.4615675 -1.7268659 11 Na 1.2188461 0.0000000 0.0010555 0.0000000 1.1816167 0.0000000 -0.0092821 0.0000000 1.0493361 12 Na 1.2188461 0.0000000 0.0010555 0.0000000 1.1816167 0.0000000 -0.0092821 0.0000000 1.0493361 13 Ge 3.1304703 0.0000000 0.9576260 0.0000000 3.6293667 0.0000000 -0.2232441 0.0000000 3.2609636 14 Ge 3.1304703 0.0000000 0.9576260 0.0000000 3.6293667 0.0000000 -0.2232441 0.0000000 3.2609636 15 Sb 4.6291192 -0.6480145 -0.6284195 -0.9725157 4.6722273 0.4250714 0.4175882 -0.1797431 5.2740838 16 Sb 4.6291192 0.6480145 -0.6284195 0.9725157 4.6722273 -0.4250714 0.4175882 0.1797431 5.2740838 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 11424/11424 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2442 Number of blocks in projector: 2442 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: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 239 eigenvectors found. (2) Block: 532 / 532 (2) 273 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 521 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 306 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 306 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 306 Use standard eigh solver. Tree of FC basis block matrices: - (2442, 2401), data: False |-- (306, 300), data: True |-- (306, 300), data: True |-- (306, 300), data: True |-- (496, 490), data: True |-- (496, 490), data: True |-- (532, 521), data: False |-- (532, 521), data: False |-- (532, 9), data: (532, 20) @ (20, 9) |-- (282, 273), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.043 Solver_block: 100 / 480 - Time: 0.957 Solver_block: 200 / 480 - Time: 0.845 Solver_block: 300 / 480 - Time: 0.820 Solver_block: 400 / 480 - Time: 1.001 Solver_block: 480 / 480 - Time: 0.703 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.624 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 11424/11424 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2442 Number of blocks in projector: 2442 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: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 239 eigenvectors found. (2) Block: 532 / 532 (2) 273 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 521 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 306 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 306 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 306 Use standard eigh solver. Tree of FC basis block matrices: - (2442, 2401), data: False |-- (306, 300), data: True |-- (306, 300), data: True |-- (306, 300), data: True |-- (496, 490), data: True |-- (496, 490), data: True |-- (532, 521), data: False |-- (532, 521), data: False |-- (532, 9), data: (532, 20) @ (20, 9) |-- (282, 273), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:48:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:48:30]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.378930575017727 -4.471895800000000 0.000000000000000 b 3.378930575017727 4.471895800000000 0.000000000000000 c -3.064196069261211 0.000000000000000 6.594006984519632 Atomic positions (fractional): 1 O 0.08113962576981 0.91886037423019 0.25000000000000 15.999 2 O 0.91886037423019 0.08113962576981 0.75000000000000 15.999 3 O 0.08905235106117 0.68534837061586 0.88272790246362 15.999 4 O 0.31465162938414 0.91094764893883 0.61727209753638 15.999 5 O 0.91094764893883 0.31465162938414 0.11727209753638 15.999 6 O 0.68534837061586 0.08905235106117 0.38272790246362 15.999 7 O 0.37301448908267 0.24465037564508 0.07636037869810 15.999 8 O 0.75534962435492 0.62698551091733 0.42363962130190 15.999 9 O 0.62698551091733 0.75534962435492 0.92363962130190 15.999 10 O 0.24465037564507 0.37301448908267 0.57636037869810 15.999 11 Na 0.33475150082780 0.66524849917220 0.25000000000000 22.990 12 Na 0.66524849917220 0.33475150082780 0.75000000000000 22.990 13 Ge 0.31247534712715 0.68752465287285 0.75000000000000 72.640 14 Ge 0.68752465287285 0.31247534712715 0.25000000000000 72.640 15 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 16 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.515722300070909 0.000000000000000 0.000000000000000 b 0.000000000000000 8.943791599999999 0.000000000000000 c -6.128392138522422 0.000000000000000 13.188013969039265 Atomic positions (fractional): 1 O 0.25000000000000 0.41886037423019 0.12500000000000 15.999 > 1 2 O 0.75000000000000 0.41886037423019 0.12500000000000 15.999 > 1 3 O 0.25000000000000 0.41886037423019 0.62500000000000 15.999 > 1 4 O 0.75000000000000 0.41886037423019 0.62500000000000 15.999 > 1 5 O 0.25000000000000 0.58113962576981 0.37500000000000 15.999 > 5 6 O 0.75000000000000 0.58113962576981 0.37500000000000 15.999 > 5 7 O 0.25000000000000 0.58113962576981 0.87500000000000 15.999 > 5 8 O 0.75000000000000 0.58113962576981 0.87500000000000 15.999 > 5 9 O 0.19360018041926 0.29814800977735 0.44136395123181 15.999 > 9 10 O 0.69360018041926 0.29814800977735 0.44136395123181 15.999 > 9 11 O 0.19360018041926 0.29814800977735 0.94136395123181 15.999 > 9 12 O 0.69360018041926 0.29814800977735 0.94136395123181 15.999 > 9 13 O 0.30639981958074 0.29814800977735 0.30863604876819 15.999 > 13 14 O 0.80639981958074 0.29814800977735 0.30863604876819 15.999 > 13 15 O 0.30639981958074 0.29814800977735 0.80863604876819 15.999 > 13 16 O 0.80639981958074 0.29814800977735 0.80863604876819 15.999 > 13 17 O 0.30639981958074 0.70185199022265 0.05863604876819 15.999 > 17 18 O 0.80639981958074 0.70185199022265 0.05863604876819 15.999 > 17 19 O 0.30639981958074 0.70185199022265 0.55863604876819 15.999 > 17 20 O 0.80639981958074 0.70185199022265 0.55863604876819 15.999 > 17 21 O 0.19360018041926 0.70185199022265 0.19136395123181 15.999 > 21 22 O 0.69360018041926 0.70185199022265 0.19136395123181 15.999 > 21 23 O 0.19360018041926 0.70185199022265 0.69136395123181 15.999 > 21 24 O 0.69360018041926 0.70185199022265 0.69136395123181 15.999 > 21 25 O 0.15441621618194 0.93581794328120 0.03818018934905 15.999 > 25 26 O 0.65441621618194 0.93581794328120 0.03818018934905 15.999 > 25 27 O 0.15441621618194 0.93581794328120 0.53818018934905 15.999 > 25 28 O 0.65441621618194 0.93581794328120 0.53818018934905 15.999 > 25 29 O 0.34558378381806 0.93581794328120 0.21181981065095 15.999 > 29 30 O 0.84558378381806 0.93581794328120 0.21181981065095 15.999 > 29 31 O 0.34558378381806 0.93581794328120 0.71181981065095 15.999 > 29 32 O 0.84558378381806 0.93581794328120 0.71181981065095 15.999 > 29 33 O 0.34558378381806 0.06418205671880 0.46181981065095 15.999 > 33 34 O 0.84558378381806 0.06418205671880 0.46181981065095 15.999 > 33 35 O 0.34558378381806 0.06418205671880 0.96181981065095 15.999 > 33 36 O 0.84558378381806 0.06418205671880 0.96181981065095 15.999 > 33 37 O 0.15441621618194 0.06418205671880 0.28818018934905 15.999 > 37 38 O 0.65441621618194 0.06418205671880 0.28818018934905 15.999 > 37 39 O 0.15441621618194 0.06418205671880 0.78818018934905 15.999 > 37 40 O 0.65441621618194 0.06418205671880 0.78818018934905 15.999 > 37 41 O 0.00000000000000 0.91886037423019 0.12500000000000 15.999 > 1 42 O 0.50000000000000 0.91886037423019 0.12500000000000 15.999 > 1 43 O 0.00000000000000 0.91886037423019 0.62500000000000 15.999 > 1 44 O 0.50000000000000 0.91886037423019 0.62500000000000 15.999 > 1 45 O 0.00000000000000 0.08113962576981 0.37500000000000 15.999 > 5 46 O 0.50000000000000 0.08113962576981 0.37500000000000 15.999 > 5 47 O 0.00000000000000 0.08113962576981 0.87500000000000 15.999 > 5 48 O 0.50000000000000 0.08113962576981 0.87500000000000 15.999 > 5 49 O 0.44360018041926 0.79814800977735 0.44136395123181 15.999 > 9 50 O 0.94360018041926 0.79814800977735 0.44136395123181 15.999 > 9 51 O 0.44360018041926 0.79814800977735 0.94136395123181 15.999 > 9 52 O 0.94360018041926 0.79814800977735 0.94136395123181 15.999 > 9 53 O 0.05639981958074 0.79814800977735 0.30863604876819 15.999 > 13 54 O 0.55639981958074 0.79814800977735 0.30863604876819 15.999 > 13 55 O 0.05639981958074 0.79814800977735 0.80863604876819 15.999 > 13 56 O 0.55639981958074 0.79814800977735 0.80863604876819 15.999 > 13 57 O 0.05639981958074 0.20185199022265 0.05863604876819 15.999 > 17 58 O 0.55639981958074 0.20185199022265 0.05863604876819 15.999 > 17 59 O 0.05639981958074 0.20185199022265 0.55863604876819 15.999 > 17 60 O 0.55639981958074 0.20185199022265 0.55863604876819 15.999 > 17 61 O 0.44360018041926 0.20185199022265 0.19136395123181 15.999 > 21 62 O 0.94360018041926 0.20185199022265 0.19136395123181 15.999 > 21 63 O 0.44360018041926 0.20185199022265 0.69136395123181 15.999 > 21 64 O 0.94360018041926 0.20185199022265 0.69136395123181 15.999 > 21 65 O 0.40441621618194 0.43581794328120 0.03818018934905 15.999 > 25 66 O 0.90441621618194 0.43581794328120 0.03818018934905 15.999 > 25 67 O 0.40441621618194 0.43581794328120 0.53818018934905 15.999 > 25 68 O 0.90441621618194 0.43581794328120 0.53818018934905 15.999 > 25 69 O 0.09558378381806 0.43581794328120 0.21181981065095 15.999 > 29 70 O 0.59558378381806 0.43581794328120 0.21181981065095 15.999 > 29 71 O 0.09558378381806 0.43581794328120 0.71181981065095 15.999 > 29 72 O 0.59558378381806 0.43581794328120 0.71181981065095 15.999 > 29 73 O 0.09558378381806 0.56418205671880 0.46181981065095 15.999 > 33 74 O 0.59558378381806 0.56418205671880 0.46181981065095 15.999 > 33 75 O 0.09558378381806 0.56418205671880 0.96181981065095 15.999 > 33 76 O 0.59558378381806 0.56418205671880 0.96181981065095 15.999 > 33 77 O 0.40441621618194 0.56418205671880 0.28818018934905 15.999 > 37 78 O 0.90441621618194 0.56418205671880 0.28818018934905 15.999 > 37 79 O 0.40441621618194 0.56418205671880 0.78818018934905 15.999 > 37 80 O 0.90441621618194 0.56418205671880 0.78818018934905 15.999 > 37 81 Na 0.25000000000000 0.16524849917220 0.12500000000000 22.990 > 81 82 Na 0.75000000000000 0.16524849917220 0.12500000000000 22.990 > 81 83 Na 0.25000000000000 0.16524849917220 0.62500000000000 22.990 > 81 84 Na 0.75000000000000 0.16524849917220 0.62500000000000 22.990 > 81 85 Na 0.25000000000000 0.83475150082780 0.37500000000000 22.990 > 85 86 Na 0.75000000000000 0.83475150082780 0.37500000000000 22.990 > 85 87 Na 0.25000000000000 0.83475150082780 0.87500000000000 22.990 > 85 88 Na 0.75000000000000 0.83475150082780 0.87500000000000 22.990 > 85 89 Na 0.00000000000000 0.66524849917220 0.12500000000000 22.990 > 81 90 Na 0.50000000000000 0.66524849917220 0.12500000000000 22.990 > 81 91 Na 0.00000000000000 0.66524849917220 0.62500000000000 22.990 > 81 92 Na 0.50000000000000 0.66524849917220 0.62500000000000 22.990 > 81 93 Na 0.00000000000000 0.33475150082780 0.37500000000000 22.990 > 85 94 Na 0.50000000000000 0.33475150082780 0.37500000000000 22.990 > 85 95 Na 0.00000000000000 0.33475150082780 0.87500000000000 22.990 > 85 96 Na 0.50000000000000 0.33475150082780 0.87500000000000 22.990 > 85 97 Ge 0.25000000000000 0.18752465287285 0.37500000000000 72.640 > 97 98 Ge 0.75000000000000 0.18752465287285 0.37500000000000 72.640 > 97 99 Ge 0.25000000000000 0.18752465287285 0.87500000000000 72.640 > 97 100 Ge 0.75000000000000 0.18752465287285 0.87500000000000 72.640 > 97 101 Ge 0.25000000000000 0.81247534712715 0.12500000000000 72.640 > 101 102 Ge 0.75000000000000 0.81247534712715 0.12500000000000 72.640 > 101 103 Ge 0.25000000000000 0.81247534712715 0.62500000000000 72.640 > 101 104 Ge 0.75000000000000 0.81247534712715 0.62500000000000 72.640 > 101 105 Ge 0.00000000000000 0.68752465287285 0.37500000000000 72.640 > 97 106 Ge 0.50000000000000 0.68752465287285 0.37500000000000 72.640 > 97 107 Ge 0.00000000000000 0.68752465287285 0.87500000000000 72.640 > 97 108 Ge 0.50000000000000 0.68752465287285 0.87500000000000 72.640 > 97 109 Ge 0.00000000000000 0.31247534712715 0.12500000000000 72.640 > 101 110 Ge 0.50000000000000 0.31247534712715 0.12500000000000 72.640 > 101 111 Ge 0.00000000000000 0.31247534712715 0.62500000000000 72.640 > 101 112 Ge 0.50000000000000 0.31247534712715 0.62500000000000 72.640 > 101 113 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 113 114 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 113 115 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 113 116 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 113 117 Sb 0.00000000000000 0.00000000000000 0.25000000000000 121.760 > 117 118 Sb 0.50000000000000 0.00000000000000 0.25000000000000 121.760 > 117 119 Sb 0.00000000000000 0.00000000000000 0.75000000000000 121.760 > 117 120 Sb 0.50000000000000 0.00000000000000 0.75000000000000 121.760 > 117 121 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 113 122 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 113 123 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 113 124 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 113 125 Sb 0.25000000000000 0.50000000000000 0.25000000000000 121.760 > 117 126 Sb 0.75000000000000 0.50000000000000 0.25000000000000 121.760 > 117 127 Sb 0.25000000000000 0.50000000000000 0.75000000000000 121.760 > 117 128 Sb 0.75000000000000 0.50000000000000 0.75000000000000 121.760 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4614649 0.0000000 0.0425473 0.0000000 3.5884371 0.0000000 0.0425507 0.0000000 3.7168099 -------------------------- Born effective charges -------------------------- 1 O -1.5535968 0.0000000 0.7484146 0.0000000 -1.4516298 0.0000000 0.6016439 0.0000000 -2.7051359 2 O -1.5535968 0.0000000 0.7484146 0.0000000 -1.4516298 0.0000000 0.6016439 0.0000000 -2.7051359 3 O -1.4662141 0.2562812 0.1774186 0.3384805 -2.2771533 -0.6396872 0.2635705 -0.6394214 -1.7127579 4 O -1.4662141 -0.2562812 0.1774186 -0.3384805 -2.2771533 0.6396872 0.2635705 0.6394214 -1.7127579 5 O -1.4662141 0.2562812 0.1774186 0.3384805 -2.2771533 -0.6396872 0.2635705 -0.6394214 -1.7127579 6 O -1.4662141 -0.2562812 0.1774186 -0.3384805 -2.2771533 0.6396872 0.2635705 0.6394214 -1.7127579 7 O -2.2462053 0.6977297 -0.7167568 0.6460051 -1.7386371 0.4282433 -0.6569235 0.4615675 -1.7268659 8 O -2.2462053 -0.6977297 -0.7167568 -0.6460051 -1.7386371 -0.4282433 -0.6569235 -0.4615675 -1.7268659 9 O -2.2462053 0.6977297 -0.7167568 0.6460051 -1.7386371 0.4282433 -0.6569235 0.4615675 -1.7268659 10 O -2.2462053 -0.6977297 -0.7167568 -0.6460051 -1.7386371 -0.4282433 -0.6569235 -0.4615675 -1.7268659 11 Na 1.2188461 0.0000000 0.0010555 0.0000000 1.1816167 0.0000000 -0.0092821 0.0000000 1.0493361 12 Na 1.2188461 0.0000000 0.0010555 0.0000000 1.1816167 0.0000000 -0.0092821 0.0000000 1.0493361 13 Ge 3.1304703 0.0000000 0.9576260 0.0000000 3.6293667 0.0000000 -0.2232441 0.0000000 3.2609636 14 Ge 3.1304703 0.0000000 0.9576260 0.0000000 3.6293667 0.0000000 -0.2232441 0.0000000 3.2609636 15 Sb 4.6291192 -0.6480145 -0.6284195 -0.9725157 4.6722273 0.4250714 0.4175882 -0.1797431 5.2740838 16 Sb 4.6291192 0.6480145 -0.6284195 0.9725157 4.6722273 -0.4250714 0.4175882 0.1797431 5.2740838 ---------------------------------------------------------------------------- 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 113, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xy) -0.00000004 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:49:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:49:01]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.378930575017727 -4.471895800000000 0.000000000000000 b 3.378930575017727 4.471895800000000 0.000000000000000 c -3.064196069261211 0.000000000000000 6.594006984519632 Atomic positions (fractional): 1 O 0.08113962576981 0.91886037423019 0.25000000000000 15.999 2 O 0.91886037423019 0.08113962576981 0.75000000000000 15.999 3 O 0.08905235106117 0.68534837061586 0.88272790246362 15.999 4 O 0.31465162938414 0.91094764893883 0.61727209753638 15.999 5 O 0.91094764893883 0.31465162938414 0.11727209753638 15.999 6 O 0.68534837061586 0.08905235106117 0.38272790246362 15.999 7 O 0.37301448908267 0.24465037564508 0.07636037869810 15.999 8 O 0.75534962435492 0.62698551091733 0.42363962130190 15.999 9 O 0.62698551091733 0.75534962435492 0.92363962130190 15.999 10 O 0.24465037564507 0.37301448908267 0.57636037869810 15.999 11 Na 0.33475150082780 0.66524849917220 0.25000000000000 22.990 12 Na 0.66524849917220 0.33475150082780 0.75000000000000 22.990 13 Ge 0.31247534712715 0.68752465287285 0.75000000000000 72.640 14 Ge 0.68752465287285 0.31247534712715 0.25000000000000 72.640 15 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 16 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.515722300070909 0.000000000000000 0.000000000000000 b 0.000000000000000 8.943791599999999 0.000000000000000 c -6.128392138522422 0.000000000000000 13.188013969039265 Atomic positions (fractional): 1 O 0.25000000000000 0.41886037423019 0.12500000000000 15.999 > 1 2 O 0.75000000000000 0.41886037423019 0.12500000000000 15.999 > 1 3 O 0.25000000000000 0.41886037423019 0.62500000000000 15.999 > 1 4 O 0.75000000000000 0.41886037423019 0.62500000000000 15.999 > 1 5 O 0.25000000000000 0.58113962576981 0.37500000000000 15.999 > 5 6 O 0.75000000000000 0.58113962576981 0.37500000000000 15.999 > 5 7 O 0.25000000000000 0.58113962576981 0.87500000000000 15.999 > 5 8 O 0.75000000000000 0.58113962576981 0.87500000000000 15.999 > 5 9 O 0.19360018041926 0.29814800977735 0.44136395123181 15.999 > 9 10 O 0.69360018041926 0.29814800977735 0.44136395123181 15.999 > 9 11 O 0.19360018041926 0.29814800977735 0.94136395123181 15.999 > 9 12 O 0.69360018041926 0.29814800977735 0.94136395123181 15.999 > 9 13 O 0.30639981958074 0.29814800977735 0.30863604876819 15.999 > 13 14 O 0.80639981958074 0.29814800977735 0.30863604876819 15.999 > 13 15 O 0.30639981958074 0.29814800977735 0.80863604876819 15.999 > 13 16 O 0.80639981958074 0.29814800977735 0.80863604876819 15.999 > 13 17 O 0.30639981958074 0.70185199022265 0.05863604876819 15.999 > 17 18 O 0.80639981958074 0.70185199022265 0.05863604876819 15.999 > 17 19 O 0.30639981958074 0.70185199022265 0.55863604876819 15.999 > 17 20 O 0.80639981958074 0.70185199022265 0.55863604876819 15.999 > 17 21 O 0.19360018041926 0.70185199022265 0.19136395123181 15.999 > 21 22 O 0.69360018041926 0.70185199022265 0.19136395123181 15.999 > 21 23 O 0.19360018041926 0.70185199022265 0.69136395123181 15.999 > 21 24 O 0.69360018041926 0.70185199022265 0.69136395123181 15.999 > 21 25 O 0.15441621618194 0.93581794328120 0.03818018934905 15.999 > 25 26 O 0.65441621618194 0.93581794328120 0.03818018934905 15.999 > 25 27 O 0.15441621618194 0.93581794328120 0.53818018934905 15.999 > 25 28 O 0.65441621618194 0.93581794328120 0.53818018934905 15.999 > 25 29 O 0.34558378381806 0.93581794328120 0.21181981065095 15.999 > 29 30 O 0.84558378381806 0.93581794328120 0.21181981065095 15.999 > 29 31 O 0.34558378381806 0.93581794328120 0.71181981065095 15.999 > 29 32 O 0.84558378381806 0.93581794328120 0.71181981065095 15.999 > 29 33 O 0.34558378381806 0.06418205671880 0.46181981065095 15.999 > 33 34 O 0.84558378381806 0.06418205671880 0.46181981065095 15.999 > 33 35 O 0.34558378381806 0.06418205671880 0.96181981065095 15.999 > 33 36 O 0.84558378381806 0.06418205671880 0.96181981065095 15.999 > 33 37 O 0.15441621618194 0.06418205671880 0.28818018934905 15.999 > 37 38 O 0.65441621618194 0.06418205671880 0.28818018934905 15.999 > 37 39 O 0.15441621618194 0.06418205671880 0.78818018934905 15.999 > 37 40 O 0.65441621618194 0.06418205671880 0.78818018934905 15.999 > 37 41 O 0.00000000000000 0.91886037423019 0.12500000000000 15.999 > 1 42 O 0.50000000000000 0.91886037423019 0.12500000000000 15.999 > 1 43 O 0.00000000000000 0.91886037423019 0.62500000000000 15.999 > 1 44 O 0.50000000000000 0.91886037423019 0.62500000000000 15.999 > 1 45 O 0.00000000000000 0.08113962576981 0.37500000000000 15.999 > 5 46 O 0.50000000000000 0.08113962576981 0.37500000000000 15.999 > 5 47 O 0.00000000000000 0.08113962576981 0.87500000000000 15.999 > 5 48 O 0.50000000000000 0.08113962576981 0.87500000000000 15.999 > 5 49 O 0.44360018041926 0.79814800977735 0.44136395123181 15.999 > 9 50 O 0.94360018041926 0.79814800977735 0.44136395123181 15.999 > 9 51 O 0.44360018041926 0.79814800977735 0.94136395123181 15.999 > 9 52 O 0.94360018041926 0.79814800977735 0.94136395123181 15.999 > 9 53 O 0.05639981958074 0.79814800977735 0.30863604876819 15.999 > 13 54 O 0.55639981958074 0.79814800977735 0.30863604876819 15.999 > 13 55 O 0.05639981958074 0.79814800977735 0.80863604876819 15.999 > 13 56 O 0.55639981958074 0.79814800977735 0.80863604876819 15.999 > 13 57 O 0.05639981958074 0.20185199022265 0.05863604876819 15.999 > 17 58 O 0.55639981958074 0.20185199022265 0.05863604876819 15.999 > 17 59 O 0.05639981958074 0.20185199022265 0.55863604876819 15.999 > 17 60 O 0.55639981958074 0.20185199022265 0.55863604876819 15.999 > 17 61 O 0.44360018041926 0.20185199022265 0.19136395123181 15.999 > 21 62 O 0.94360018041926 0.20185199022265 0.19136395123181 15.999 > 21 63 O 0.44360018041926 0.20185199022265 0.69136395123181 15.999 > 21 64 O 0.94360018041926 0.20185199022265 0.69136395123181 15.999 > 21 65 O 0.40441621618194 0.43581794328120 0.03818018934905 15.999 > 25 66 O 0.90441621618194 0.43581794328120 0.03818018934905 15.999 > 25 67 O 0.40441621618194 0.43581794328120 0.53818018934905 15.999 > 25 68 O 0.90441621618194 0.43581794328120 0.53818018934905 15.999 > 25 69 O 0.09558378381806 0.43581794328120 0.21181981065095 15.999 > 29 70 O 0.59558378381806 0.43581794328120 0.21181981065095 15.999 > 29 71 O 0.09558378381806 0.43581794328120 0.71181981065095 15.999 > 29 72 O 0.59558378381806 0.43581794328120 0.71181981065095 15.999 > 29 73 O 0.09558378381806 0.56418205671880 0.46181981065095 15.999 > 33 74 O 0.59558378381806 0.56418205671880 0.46181981065095 15.999 > 33 75 O 0.09558378381806 0.56418205671880 0.96181981065095 15.999 > 33 76 O 0.59558378381806 0.56418205671880 0.96181981065095 15.999 > 33 77 O 0.40441621618194 0.56418205671880 0.28818018934905 15.999 > 37 78 O 0.90441621618194 0.56418205671880 0.28818018934905 15.999 > 37 79 O 0.40441621618194 0.56418205671880 0.78818018934905 15.999 > 37 80 O 0.90441621618194 0.56418205671880 0.78818018934905 15.999 > 37 81 Na 0.25000000000000 0.16524849917220 0.12500000000000 22.990 > 81 82 Na 0.75000000000000 0.16524849917220 0.12500000000000 22.990 > 81 83 Na 0.25000000000000 0.16524849917220 0.62500000000000 22.990 > 81 84 Na 0.75000000000000 0.16524849917220 0.62500000000000 22.990 > 81 85 Na 0.25000000000000 0.83475150082780 0.37500000000000 22.990 > 85 86 Na 0.75000000000000 0.83475150082780 0.37500000000000 22.990 > 85 87 Na 0.25000000000000 0.83475150082780 0.87500000000000 22.990 > 85 88 Na 0.75000000000000 0.83475150082780 0.87500000000000 22.990 > 85 89 Na 0.00000000000000 0.66524849917220 0.12500000000000 22.990 > 81 90 Na 0.50000000000000 0.66524849917220 0.12500000000000 22.990 > 81 91 Na 0.00000000000000 0.66524849917220 0.62500000000000 22.990 > 81 92 Na 0.50000000000000 0.66524849917220 0.62500000000000 22.990 > 81 93 Na 0.00000000000000 0.33475150082780 0.37500000000000 22.990 > 85 94 Na 0.50000000000000 0.33475150082780 0.37500000000000 22.990 > 85 95 Na 0.00000000000000 0.33475150082780 0.87500000000000 22.990 > 85 96 Na 0.50000000000000 0.33475150082780 0.87500000000000 22.990 > 85 97 Ge 0.25000000000000 0.18752465287285 0.37500000000000 72.640 > 97 98 Ge 0.75000000000000 0.18752465287285 0.37500000000000 72.640 > 97 99 Ge 0.25000000000000 0.18752465287285 0.87500000000000 72.640 > 97 100 Ge 0.75000000000000 0.18752465287285 0.87500000000000 72.640 > 97 101 Ge 0.25000000000000 0.81247534712715 0.12500000000000 72.640 > 101 102 Ge 0.75000000000000 0.81247534712715 0.12500000000000 72.640 > 101 103 Ge 0.25000000000000 0.81247534712715 0.62500000000000 72.640 > 101 104 Ge 0.75000000000000 0.81247534712715 0.62500000000000 72.640 > 101 105 Ge 0.00000000000000 0.68752465287285 0.37500000000000 72.640 > 97 106 Ge 0.50000000000000 0.68752465287285 0.37500000000000 72.640 > 97 107 Ge 0.00000000000000 0.68752465287285 0.87500000000000 72.640 > 97 108 Ge 0.50000000000000 0.68752465287285 0.87500000000000 72.640 > 97 109 Ge 0.00000000000000 0.31247534712715 0.12500000000000 72.640 > 101 110 Ge 0.50000000000000 0.31247534712715 0.12500000000000 72.640 > 101 111 Ge 0.00000000000000 0.31247534712715 0.62500000000000 72.640 > 101 112 Ge 0.50000000000000 0.31247534712715 0.62500000000000 72.640 > 101 113 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 113 114 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 113 115 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 113 116 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 113 117 Sb 0.00000000000000 0.00000000000000 0.25000000000000 121.760 > 117 118 Sb 0.50000000000000 0.00000000000000 0.25000000000000 121.760 > 117 119 Sb 0.00000000000000 0.00000000000000 0.75000000000000 121.760 > 117 120 Sb 0.50000000000000 0.00000000000000 0.75000000000000 121.760 > 117 121 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 113 122 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 113 123 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 113 124 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 113 125 Sb 0.25000000000000 0.50000000000000 0.25000000000000 121.760 > 117 126 Sb 0.75000000000000 0.50000000000000 0.25000000000000 121.760 > 117 127 Sb 0.25000000000000 0.50000000000000 0.75000000000000 121.760 > 117 128 Sb 0.75000000000000 0.50000000000000 0.75000000000000 121.760 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4614649 0.0000000 0.0425473 0.0000000 3.5884371 0.0000000 0.0425507 0.0000000 3.7168099 -------------------------- Born effective charges -------------------------- 1 O -1.5535968 0.0000000 0.7484146 0.0000000 -1.4516298 0.0000000 0.6016439 0.0000000 -2.7051359 2 O -1.5535968 0.0000000 0.7484146 0.0000000 -1.4516298 0.0000000 0.6016439 0.0000000 -2.7051359 3 O -1.4662141 0.2562812 0.1774186 0.3384805 -2.2771533 -0.6396872 0.2635705 -0.6394214 -1.7127579 4 O -1.4662141 -0.2562812 0.1774186 -0.3384805 -2.2771533 0.6396872 0.2635705 0.6394214 -1.7127579 5 O -1.4662141 0.2562812 0.1774186 0.3384805 -2.2771533 -0.6396872 0.2635705 -0.6394214 -1.7127579 6 O -1.4662141 -0.2562812 0.1774186 -0.3384805 -2.2771533 0.6396872 0.2635705 0.6394214 -1.7127579 7 O -2.2462053 0.6977297 -0.7167568 0.6460051 -1.7386371 0.4282433 -0.6569235 0.4615675 -1.7268659 8 O -2.2462053 -0.6977297 -0.7167568 -0.6460051 -1.7386371 -0.4282433 -0.6569235 -0.4615675 -1.7268659 9 O -2.2462053 0.6977297 -0.7167568 0.6460051 -1.7386371 0.4282433 -0.6569235 0.4615675 -1.7268659 10 O -2.2462053 -0.6977297 -0.7167568 -0.6460051 -1.7386371 -0.4282433 -0.6569235 -0.4615675 -1.7268659 11 Na 1.2188461 0.0000000 0.0010555 0.0000000 1.1816167 0.0000000 -0.0092821 0.0000000 1.0493361 12 Na 1.2188461 0.0000000 0.0010555 0.0000000 1.1816167 0.0000000 -0.0092821 0.0000000 1.0493361 13 Ge 3.1304703 0.0000000 0.9576260 0.0000000 3.6293667 0.0000000 -0.2232441 0.0000000 3.2609636 14 Ge 3.1304703 0.0000000 0.9576260 0.0000000 3.6293667 0.0000000 -0.2232441 0.0000000 3.2609636 15 Sb 4.6291192 -0.6480145 -0.6284195 -0.9725157 4.6722273 0.4250714 0.4175882 -0.1797431 5.2740838 16 Sb 4.6291192 0.6480145 -0.6284195 0.9725157 4.6722273 -0.4250714 0.4175882 0.1797431 5.2740838 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 10 8 ] 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: 0.71, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 12.388 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.603 ( 0.000 0.000 0.000) 0.000 12.997 ( 0.000 0.000 0.000) 0.000 13.112 ( 0.000 0.000 0.000) 0.000 14.080 ( 0.000 0.000 0.000) 0.000 14.673 ( 0.000 0.000 0.000) 0.000 14.944 ( 0.000 0.000 0.000) 0.000 14.997 ( 0.000 0.000 0.000) 0.000 15.137 ( 0.000 0.000 0.000) 0.000 19.989 ( 0.000 0.000 0.000) 0.000 20.853 ( 0.000 0.000 0.000) 0.000 21.225 ( 0.000 0.000 0.000) 0.000 21.265 ( 0.000 0.000 0.000) 0.000 21.776 ( 0.000 0.000 0.000) 0.000 22.085 ( 0.000 0.000 0.000) 0.000 23.330 ( 0.000 0.000 0.000) 0.000 24.709 ( 0.000 0.000 0.000) 0.000 24.802 ( 0.000 0.000 0.000) 0.000 25.415 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 22.272 -9.183 7.614) 25.265 0.750 ( 21.337 -28.255 14.250) 38.166 1.176 ( 39.711 -31.754 27.382) 57.750 2.266 ( 8.264 5.583 0.628) 9.993 2.390 ( 4.729 -3.516 -1.965) 6.212 2.656 ( 9.037 -8.469 9.890) 15.849 3.838 ( -0.845 -0.047 -8.339) 8.382 3.870 ( -16.820 -4.032 -6.032) 18.318 4.169 ( 1.707 0.598 2.040) 2.727 4.340 ( 5.317 -11.663 4.365) 13.541 5.375 ( 2.180 2.564 3.772) 5.055 5.666 ( 11.443 1.625 0.513) 11.569 6.072 ( 3.443 4.806 -0.154) 5.914 6.317 ( -4.956 5.624 -5.734) 9.437 6.385 ( -3.314 0.593 -4.643) 5.735 6.566 ( 7.286 8.017 2.353) 11.086 6.761 ( -5.738 6.719 -3.806) 9.620 6.852 ( -15.007 -9.542 -9.448) 20.138 7.286 ( -5.084 -3.470 0.561) 6.181 7.518 ( 3.282 -8.165 0.797) 8.836 7.818 ( -7.697 4.742 1.143) 9.113 7.924 ( -5.618 -6.941 -2.849) 9.373 8.156 ( 5.158 -2.481 -0.305) 5.732 8.685 ( 4.311 3.525 1.946) 5.899 8.752 ( 5.861 -1.666 3.218) 6.891 9.594 ( -2.357 11.940 8.140) 14.642 9.727 ( 9.753 32.678 32.392) 47.034 10.524 ( -17.555 -4.480 30.462) 35.443 12.120 ( -12.817 1.907 -12.575) 18.057 12.478 ( -12.076 -0.007 -0.330) 12.080 12.755 ( 19.439 1.856 0.404) 19.532 12.986 ( 4.468 3.085 -0.048) 5.430 13.241 ( 6.872 -5.292 -0.584) 8.694 14.351 ( -23.713 -33.673 -7.571) 41.875 14.662 ( -2.642 -1.385 0.286) 2.997 14.900 ( -3.368 -0.161 -2.580) 4.246 15.024 ( 5.591 6.302 1.755) 8.605 15.920 ( 21.899 5.788 -24.897) 33.659 20.004 ( 0.880 0.177 2.417) 2.579 20.924 ( 6.920 -0.558 3.199) 7.644 21.210 ( 2.693 1.851 -3.894) 5.083 21.417 ( 12.392 2.654 -13.190) 18.292 21.934 ( -2.826 -15.498 -12.658) 20.209 23.124 ( -13.306 -8.701 14.490) 21.511 24.627 ( -1.399 5.534 0.122) 5.709 24.823 ( -0.313 -3.186 0.031) 3.201 25.071 ( -8.071 18.504 21.615) 29.577 25.497 ( 2.947 -4.762 1.548) 5.810 ======================= Grid point 2 (3/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 18.833 -7.293 4.996) 20.805 1.432 ( 15.773 -27.111 11.549) 33.424 2.141 ( 25.714 -10.394 20.395) 34.427 2.312 ( 5.268 3.984 0.665) 6.638 2.565 ( 12.849 -13.993 6.202) 19.984 3.065 ( 13.136 -9.237 18.328) 24.367 3.587 ( -14.264 -7.429 -9.129) 18.493 3.883 ( 8.685 -6.424 -10.732) 15.227 4.208 ( 1.085 -0.776 3.463) 3.711 4.605 ( 6.378 -13.659 4.046) 15.608 5.428 ( 5.220 0.331 1.575) 5.463 5.776 ( 5.876 5.567 -2.976) 8.625 5.971 ( -6.762 9.919 -4.113) 12.690 6.133 ( -4.620 3.445 1.854) 6.054 6.307 ( -2.025 2.113 -3.173) 4.316 6.535 ( -14.380 -1.761 -13.628) 19.890 6.602 ( -2.555 7.452 -1.332) 7.990 6.692 ( 6.095 0.116 2.321) 6.522 7.277 ( -0.576 0.663 2.014) 2.197 7.624 ( -9.059 -0.268 4.082) 9.940 7.679 ( 0.162 -4.705 -2.272) 5.227 7.843 ( -8.992 -2.489 -2.376) 9.628 8.257 ( 4.917 -1.312 -1.495) 5.304 8.693 ( 1.432 4.529 0.367) 4.764 8.874 ( 3.338 1.058 2.874) 4.530 9.481 ( 0.737 10.397 8.396) 13.384 9.756 ( 4.947 8.869 11.017) 14.984 10.506 ( -9.334 -1.544 10.695) 14.279 11.862 ( -12.490 -0.522 -4.419) 13.259 12.262 ( -14.463 -0.140 -1.966) 14.597 12.984 ( 14.166 5.054 3.733) 15.497 13.073 ( 6.386 -3.540 -0.251) 7.306 13.379 ( 5.423 -3.086 -0.917) 6.307 14.324 ( -10.712 -16.777 -7.085) 21.128 14.632 ( -4.645 -2.262 0.762) 5.223 14.828 ( -3.002 0.817 -3.157) 4.433 15.038 ( 6.754 9.358 1.416) 11.627 16.037 ( 11.751 -2.669 -9.626) 15.423 20.036 ( 0.868 0.256 3.225) 3.349 21.046 ( 5.249 2.153 2.386) 6.154 21.266 ( 10.359 0.574 -2.855) 10.760 21.509 ( 5.842 -6.574 -2.069) 9.035 21.997 ( -0.653 -11.330 -5.504) 12.613 23.125 ( -6.070 -3.717 7.290) 10.188 24.475 ( -10.134 4.817 -5.031) 12.297 24.828 ( -4.034 -1.648 0.184) 4.362 24.949 ( 2.056 12.343 12.383) 17.604 25.585 ( 1.757 -3.609 -0.383) 4.032 ======================= Grid point 3 (4/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 12.865 -3.731 1.549) 13.485 1.931 ( 5.937 -19.766 6.957) 21.779 2.343 ( 3.619 2.449 0.155) 4.373 2.450 ( 11.562 1.074 4.934) 12.616 2.969 ( -5.136 -7.982 12.755) 15.899 3.444 ( 13.079 -14.913 16.592) 25.861 3.634 ( 9.668 -5.484 -0.423) 11.124 4.134 ( 15.958 -13.663 -9.289) 22.970 4.284 ( 5.385 -1.567 8.923) 10.539 4.882 ( 10.649 -9.422 3.079) 14.549 5.542 ( 6.037 -2.087 -1.868) 6.655 5.637 ( -5.419 7.954 -6.205) 11.451 5.730 ( -3.384 9.176 -2.109) 10.005 6.028 ( -13.658 0.672 4.523) 14.403 6.203 ( -13.073 -2.134 -11.443) 17.505 6.278 ( -2.537 2.886 -6.776) 7.789 6.529 ( 4.653 0.762 -2.210) 5.207 6.867 ( 10.845 -0.549 1.520) 10.965 7.255 ( -1.782 4.293 2.573) 5.313 7.463 ( -11.297 2.923 8.082) 14.195 7.636 ( -7.031 2.967 -5.190) 9.229 7.809 ( -1.479 -5.762 -0.724) 5.993 8.292 ( 1.778 0.947 -2.142) 2.940 8.555 ( -7.179 9.373 -3.675) 12.365 8.906 ( 0.704 -2.856 0.789) 3.045 9.556 ( 9.147 3.010 9.261) 13.361 9.818 ( 4.451 3.524 6.504) 8.633 10.413 ( -9.212 0.733 0.577) 9.259 11.706 ( -8.672 -1.755 0.054) 8.848 12.058 ( -10.854 0.328 -1.098) 10.915 13.135 ( 10.565 2.732 1.902) 11.077 13.206 ( 5.100 -2.764 1.143) 5.913 13.450 ( 1.619 -1.590 -1.271) 2.601 14.321 ( -4.234 -10.737 -5.959) 12.989 14.585 ( -5.753 -1.972 1.123) 6.185 14.754 ( -2.005 1.453 -3.144) 4.002 15.040 ( 5.795 8.400 1.166) 10.271 16.176 ( 7.567 -4.258 -4.097) 9.601 20.064 ( 0.472 0.190 2.722) 2.769 21.078 ( 2.167 1.537 0.161) 2.662 21.367 ( 7.289 2.432 -4.088) 8.704 21.761 ( 12.537 -8.626 6.682) 16.620 22.092 ( 0.135 -11.831 -1.969) 11.995 23.128 ( -3.255 -1.919 4.453) 5.841 24.160 ( -15.072 8.448 -7.696) 18.915 24.786 ( -1.389 2.147 2.344) 3.469 24.980 ( 2.965 2.777 5.757) 7.046 25.624 ( 0.263 -1.917 -1.158) 2.255 ======================= Grid point 4 (5/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 5.803 -0.795 -0.429) 5.873 2.166 ( 1.821 -8.393 4.572) 9.730 2.349 ( 1.073 2.254 -2.145) 3.292 2.601 ( 3.068 -1.808 1.736) 3.962 3.014 ( -2.227 -6.684 5.841) 9.152 3.770 ( 7.314 0.047 4.121) 8.395 3.859 ( 3.800 -8.140 6.710) 11.213 4.309 ( 5.756 -2.201 5.730) 8.415 4.632 ( 13.975 -9.061 -0.958) 16.683 5.165 ( 16.372 -1.198 4.459) 17.011 5.480 ( 3.716 3.531 3.221) 6.054 5.589 ( -3.768 -0.907 -7.606) 8.536 5.626 ( -2.702 2.621 0.095) 3.766 5.872 ( -9.775 -6.638 -6.047) 13.273 6.002 ( -4.950 -0.756 -1.795) 5.320 6.092 ( -11.906 4.567 -4.933) 13.673 6.645 ( 10.020 -0.666 -4.328) 10.935 7.014 ( 6.296 -3.170 -1.720) 7.256 7.158 ( -9.040 1.100 5.008) 10.392 7.329 ( -7.291 7.567 4.844) 11.571 7.507 ( 0.882 4.460 0.608) 4.587 7.770 ( -5.540 1.804 -2.862) 6.492 8.283 ( 0.452 0.783 -0.720) 1.155 8.355 ( -5.498 0.913 -4.390) 7.094 8.954 ( 0.922 -1.675 0.541) 1.987 9.741 ( 8.221 -0.928 6.660) 10.621 9.893 ( 5.377 2.654 4.913) 7.752 10.235 ( -10.500 1.582 -4.462) 11.517 11.629 ( -4.609 -1.327 0.145) 4.799 11.932 ( -5.205 0.353 0.515) 5.243 13.268 ( 7.530 -0.581 0.849) 7.600 13.289 ( 3.162 0.322 1.286) 3.429 13.447 ( -2.319 -0.693 -1.399) 2.796 14.356 ( 0.099 -6.758 -3.871) 7.789 14.520 ( -5.242 0.163 1.096) 5.357 14.702 ( -0.770 0.960 -1.755) 2.143 15.040 ( 3.288 4.782 0.706) 5.846 16.284 ( 3.889 -2.798 -1.482) 5.015 20.082 ( 0.155 0.092 1.526) 1.537 21.092 ( 1.238 0.504 -0.033) 1.337 21.393 ( 2.802 1.192 -2.547) 3.969 22.014 ( 6.460 -1.786 1.906) 6.968 22.297 ( 7.248 -13.036 5.593) 15.929 23.132 ( -1.488 -0.936 2.260) 2.863 23.782 ( -13.602 8.784 -7.936) 18.032 24.770 ( -0.255 1.131 1.346) 1.776 25.029 ( 1.741 0.537 2.791) 3.333 25.628 ( -0.384 -0.663 -0.961) 1.229 ======================= Grid point 5 (6/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 -0.000 0.000) 0.000 2.278 ( 0.000 0.000 -0.000) 0.000 2.297 ( 0.000 -0.000 0.000) 0.000 2.629 ( 0.000 -0.000 0.000) 0.000 3.077 ( 0.000 -0.000 0.000) 0.000 3.843 ( 0.000 -0.000 0.000) 0.000 3.924 ( 0.000 -0.000 -0.000) 0.000 4.440 ( 0.000 -0.000 0.000) 0.000 4.713 ( 0.000 -0.000 -0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.491 ( -0.000 0.000 -0.000) 0.000 5.531 ( 0.000 -0.000 0.000) 0.000 5.590 ( 0.000 -0.000 -0.000) 0.000 5.786 ( 0.000 -0.000 -0.000) 0.000 5.850 ( 0.000 -0.000 0.000) 0.000 6.027 ( 0.000 -0.000 0.000) 0.000 6.711 ( 0.000 -0.000 0.000) 0.000 7.061 ( 0.000 -0.000 0.000) 0.000 7.143 ( 0.000 -0.000 -0.000) 0.000 7.190 ( 0.000 -0.000 -0.000) 0.000 7.525 ( 0.000 -0.000 -0.000) 0.000 7.665 ( 0.000 -0.000 0.000) 0.000 8.286 ( -0.000 -0.000 -0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 -0.000 0.000) 0.000 9.841 ( 0.000 -0.000 -0.000) 0.000 10.015 ( 0.000 -0.000 0.000) 0.000 10.042 ( -0.000 -0.000 -0.000) 0.000 11.601 ( 0.000 -0.000 0.000) 0.000 11.896 ( 0.000 -0.000 -0.000) 0.000 13.313 ( 0.000 0.000 0.000) 0.000 13.367 ( -0.000 -0.000 -0.000) 0.000 13.393 ( 0.000 -0.000 0.000) 0.000 14.399 ( 0.000 -0.000 0.000) 0.000 14.466 ( 0.000 -0.000 -0.000) 0.000 14.686 ( 0.000 -0.000 -0.000) 0.000 15.040 ( 0.000 -0.000 0.000) 0.000 16.324 ( 0.000 -0.000 -0.000) 0.000 20.088 ( 0.000 -0.000 -0.000) 0.000 21.099 ( 0.000 -0.000 0.000) 0.000 21.398 ( 0.000 -0.000 0.000) 0.000 22.067 ( 0.000 -0.000 0.000) 0.000 22.493 ( 0.000 -0.000 -0.000) 0.000 23.134 ( 0.000 -0.000 -0.000) 0.000 23.567 ( 0.000 -0.000 0.000) 0.000 24.767 ( 0.000 -0.000 -0.000) 0.000 25.050 ( 0.000 -0.000 0.000) 0.000 25.624 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/227) ======================= q-point: ( 0.10 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 22.269 -0.000 9.430) 24.183 1.065 ( 26.517 -0.000 17.199) 31.606 1.943 ( 45.486 -0.000 31.023) 55.058 2.387 ( 4.114 -0.000 -0.027) 4.114 2.439 ( 5.988 -0.000 -1.718) 6.229 2.952 ( 19.340 -0.000 20.360) 28.081 3.502 ( -15.280 0.000 -8.591) 17.529 3.815 ( 7.138 -0.000 -15.165) 16.761 4.310 ( 4.587 -0.000 7.382) 8.691 4.319 ( 4.461 -0.000 3.982) 5.980 5.445 ( 2.791 -0.000 2.651) 3.850 5.835 ( 8.996 -0.000 -1.543) 9.127 6.136 ( -14.839 0.000 -4.190) 15.419 6.167 ( 3.423 -0.000 -0.007) 3.423 6.333 ( -0.537 0.000 -7.063) 7.083 6.418 ( -20.370 0.000 -8.209) 21.962 6.707 ( -8.995 0.000 -2.848) 9.435 6.788 ( 12.351 -0.000 2.718) 12.646 7.187 ( -1.896 0.000 -3.995) 4.422 7.589 ( 4.447 -0.000 1.835) 4.811 7.712 ( -12.288 0.000 3.600) 12.805 7.793 ( -4.758 0.000 -0.497) 4.784 8.228 ( 6.511 -0.000 -1.767) 6.746 8.711 ( -0.149 0.000 -0.959) 0.971 8.896 ( 3.865 -0.000 4.465) 5.905 9.567 ( 0.224 -0.000 -0.567) 0.610 10.134 ( -1.703 0.000 4.268) 4.595 10.395 ( -20.858 0.000 36.752) 42.258 11.861 ( -11.847 0.000 -9.730) 15.330 12.232 ( -14.441 0.000 -3.351) 14.824 13.009 ( 3.671 -0.000 2.797) 4.616 13.062 ( 11.634 -0.000 3.440) 12.132 13.352 ( 9.479 -0.000 -2.427) 9.785 14.026 ( -0.152 0.000 -4.959) 4.961 14.612 ( -3.477 0.000 -0.345) 3.494 14.841 ( -2.645 0.000 -3.031) 4.023 15.186 ( 6.086 -0.000 6.464) 8.878 15.988 ( 10.849 -0.000 -19.590) 22.393 20.037 ( -0.090 0.000 4.933) 4.934 21.123 ( 14.103 -0.000 7.822) 16.127 21.256 ( 3.716 -0.000 -2.366) 4.405 21.486 ( 9.077 -0.000 -19.322) 21.348 21.764 ( 0.306 -0.000 -1.883) 1.908 23.070 ( -4.600 0.000 11.922) 12.779 24.540 ( -8.846 0.000 -4.070) 9.738 24.782 ( -1.061 0.000 -0.685) 1.263 25.249 ( -7.875 0.000 15.366) 17.267 25.438 ( 0.920 -0.000 0.487) 1.041 ======================= Grid point 13 (8/227) ======================= q-point: ( 0.20 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 17.763 -0.225 7.922) 19.451 1.592 ( 19.741 -8.717 14.579) 26.043 2.383 ( 3.653 0.956 -0.604) 3.824 2.499 ( 7.646 2.195 0.623) 7.979 2.837 ( 24.602 -3.441 22.993) 33.849 3.145 ( -3.166 -8.792 9.043) 13.004 3.590 ( 23.844 0.283 5.168) 24.399 3.901 ( 13.879 -6.094 -10.353) 18.356 4.342 ( 6.509 6.832 7.267) 11.910 4.586 ( 9.082 -13.929 4.160) 17.141 5.513 ( 5.273 0.003 0.928) 5.354 5.796 ( -10.971 3.847 -5.216) 12.742 5.943 ( -1.123 5.892 -0.333) 6.008 6.036 ( -16.935 2.466 -5.769) 18.060 6.169 ( -7.312 -1.940 -8.925) 11.700 6.294 ( -1.100 -0.654 -1.696) 2.125 6.542 ( -6.987 0.073 -2.510) 7.424 6.950 ( 12.852 7.300 0.018) 14.780 7.216 ( 1.803 -8.528 -3.726) 9.479 7.473 ( -14.944 0.137 5.090) 15.788 7.687 ( -2.334 2.661 -1.081) 3.700 7.742 ( 0.755 -0.740 3.052) 3.230 8.293 ( 3.355 -0.398 -3.653) 4.976 8.689 ( -3.929 1.202 -2.213) 4.667 8.828 ( -9.721 -1.625 -3.746) 10.544 9.654 ( 9.155 2.961 7.697) 12.322 10.032 ( -0.008 13.940 8.256) 16.201 10.371 ( -11.171 -5.360 7.559) 14.514 11.677 ( -8.208 -0.703 -0.811) 8.278 12.038 ( -10.685 -1.744 -1.797) 10.974 13.052 ( -0.390 -3.787 0.997) 3.935 13.262 ( 11.246 3.132 5.985) 13.118 13.441 ( 4.860 -0.209 -3.476) 5.978 14.055 ( 0.328 -9.144 -6.038) 10.962 14.558 ( -4.075 -0.499 0.362) 4.121 14.779 ( -2.020 0.601 -3.781) 4.329 15.273 ( 5.874 8.717 6.926) 12.588 16.047 ( 7.372 -5.496 -11.237) 14.520 20.065 ( -0.774 -0.035 4.945) 5.006 21.217 ( 6.138 10.294 0.908) 12.020 21.452 ( 10.296 3.871 -9.397) 14.467 21.530 ( 11.625 -11.401 7.780) 18.046 21.826 ( 1.246 -9.564 -4.237) 10.534 23.092 ( -2.205 -0.963 6.505) 6.936 24.328 ( -11.554 4.863 -6.008) 13.901 24.766 ( -1.861 -1.694 -0.888) 2.669 25.157 ( -2.920 10.179 9.344) 14.123 25.510 ( -0.930 -7.467 0.337) 7.533 ======================= Grid point 14 (9/227) ======================= q-point: ( 0.30 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 10.943 3.736 5.411) 12.766 1.990 ( 10.439 -7.109 9.357) 15.718 2.397 ( 2.185 1.951 -2.355) 3.759 2.610 ( 8.796 1.331 0.715) 8.925 2.932 ( -0.824 0.789 6.582) 6.680 3.648 ( 17.495 -11.544 15.431) 26.028 3.836 ( 12.391 5.829 0.561) 13.705 4.223 ( 14.422 -7.496 2.952) 16.520 4.482 ( 13.160 0.229 6.525) 14.691 4.933 ( 10.138 -14.864 2.748) 18.200 5.567 ( -5.360 3.993 -2.106) 7.007 5.602 ( 5.500 0.857 -3.821) 6.752 5.741 ( -12.168 -2.580 -7.164) 14.354 5.842 ( -2.125 10.263 0.553) 10.495 6.015 ( -4.945 1.817 -0.846) 5.336 6.165 ( -11.720 1.747 -6.239) 13.391 6.572 ( 5.272 -6.485 0.101) 8.358 7.008 ( 6.388 3.598 -6.286) 9.657 7.214 ( -8.692 3.401 3.798) 10.077 7.404 ( -1.441 -3.333 3.899) 5.327 7.586 ( -3.419 1.856 -0.991) 4.015 7.783 ( 0.165 1.958 2.841) 3.454 8.265 ( -4.139 -1.051 -7.799) 8.891 8.427 ( -12.309 5.093 -5.726) 14.499 8.821 ( -2.602 -9.251 -0.006) 9.610 9.803 ( 7.993 5.476 8.012) 12.573 9.999 ( 5.146 6.550 5.167) 9.802 10.261 ( -9.841 -0.377 -2.819) 10.243 11.612 ( -3.062 -0.264 2.855) 4.195 11.932 ( -5.191 -0.752 1.161) 5.372 13.095 ( -2.853 -7.172 0.182) 7.721 13.396 ( 7.246 3.979 2.295) 8.579 13.462 ( 1.873 0.636 -0.955) 2.196 14.141 ( 2.034 -10.113 -5.546) 11.712 14.510 ( -3.851 -0.426 1.405) 4.121 14.722 ( -0.955 0.711 -3.662) 3.850 15.270 ( 4.661 12.802 5.672) 14.758 16.155 ( 4.098 -7.974 -5.611) 10.577 20.082 ( -1.229 -0.056 4.099) 4.280 21.197 ( 5.328 8.805 0.524) 10.305 21.441 ( 3.834 2.659 -6.844) 8.284 21.920 ( -0.105 -12.914 -4.194) 13.578 21.977 ( 18.293 -7.623 11.892) 23.112 23.113 ( -0.747 -0.630 3.236) 3.380 24.019 ( -11.483 10.295 -7.039) 16.952 24.750 ( -2.414 -2.220 -1.051) 3.444 25.098 ( -0.846 5.410 5.972) 8.102 25.561 ( -1.619 -5.218 -0.457) 5.483 ======================= Grid point 15 (10/227) ======================= q-point: ( 0.40 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 4.147 6.700 4.215) 8.937 2.199 ( 2.783 -5.178 4.391) 7.337 2.377 ( 2.838 4.165 -3.182) 5.961 2.703 ( 9.298 6.462 0.016) 11.323 3.049 ( 7.413 -1.846 5.305) 9.301 3.881 ( 6.317 4.519 -5.475) 9.503 3.976 ( 6.259 1.262 11.053) 12.764 4.432 ( 5.079 -0.354 8.905) 10.258 4.660 ( -0.662 -2.667 -4.710) 5.453 5.160 ( -3.669 -16.067 0.540) 16.490 5.497 ( -9.905 -2.109 -11.291) 15.168 5.595 ( 10.830 0.986 4.887) 11.923 5.717 ( -0.961 3.857 -0.321) 3.988 5.762 ( 11.627 5.015 -5.065) 13.638 5.918 ( -5.979 1.813 0.862) 6.307 6.044 ( 4.439 2.216 8.307) 9.675 6.741 ( 6.655 -1.682 -0.328) 6.872 6.940 ( -8.506 -4.503 -3.049) 10.096 7.115 ( 1.490 4.317 0.019) 4.567 7.367 ( -2.147 5.293 -2.145) 6.102 7.575 ( -0.099 1.146 4.844) 4.978 7.675 ( -9.199 4.194 -2.623) 10.445 8.150 ( -4.392 -9.394 -8.025) 13.112 8.311 ( -1.888 0.442 1.631) 2.534 8.880 ( -3.201 -8.261 -0.499) 8.874 9.864 ( 3.060 3.123 1.304) 4.562 10.068 ( -9.914 2.436 -5.633) 11.660 10.093 ( 9.263 4.483 5.916) 11.870 11.618 ( 1.899 1.360 2.833) 3.672 11.907 ( -0.312 0.628 2.036) 2.154 13.124 ( -5.874 -9.131 0.053) 10.857 13.379 ( -3.782 -1.024 -4.423) 5.909 13.520 ( 7.423 6.388 4.528) 10.790 14.259 ( 3.655 -9.178 -4.188) 10.730 14.476 ( -2.525 0.152 2.407) 3.492 14.688 ( 0.174 0.237 -2.803) 2.818 15.215 ( 2.691 12.938 4.834) 14.071 16.247 ( 0.434 -6.669 -2.561) 7.157 20.086 ( -1.553 -0.129 2.793) 3.198 21.183 ( 4.373 7.372 0.465) 8.584 21.419 ( 1.511 1.715 -3.854) 4.481 21.997 ( -0.269 -6.934 -3.293) 7.681 22.380 ( 11.064 -7.467 8.467) 15.807 23.129 ( 0.491 -0.218 0.739) 0.914 23.723 ( -3.934 11.270 -3.931) 12.567 24.730 ( -2.910 -2.952 -1.806) 4.522 25.076 ( -0.901 2.368 3.101) 4.005 25.582 ( -1.533 -3.651 -0.249) 3.967 ======================= Grid point 16 (11/227) ======================= q-point: (-0.50 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.824 7.563 4.494) 8.836 2.258 ( -1.970 -3.209 -0.643) 3.820 2.361 ( 3.471 5.057 -0.929) 6.203 2.741 ( 8.687 11.170 -2.032) 14.295 3.165 ( 7.546 5.751 -0.543) 9.503 3.818 ( -2.091 4.140 -7.348) 8.690 4.066 ( 7.593 9.804 5.090) 13.404 4.370 ( -9.416 3.200 -7.654) 12.550 4.669 ( -3.485 -5.548 9.106) 11.218 5.160 ( -16.053 0.600 -6.306) 17.257 5.305 ( -8.376 -8.746 1.366) 12.186 5.530 ( -4.947 -0.517 -4.125) 6.462 5.805 ( 13.804 4.044 -5.219) 15.302 5.940 ( 10.551 -4.694 5.137) 12.639 6.056 ( 12.637 7.299 6.239) 15.871 6.094 ( 4.651 7.656 6.743) 11.212 6.663 ( -10.247 2.453 5.913) 12.082 7.016 ( 0.716 -11.799 -5.143) 12.891 7.112 ( 2.444 4.854 -1.110) 5.546 7.264 ( 2.735 1.624 -6.829) 7.533 7.466 ( -3.094 2.983 -0.420) 4.318 7.671 ( 1.384 -6.316 4.358) 7.797 8.194 ( -0.952 -7.904 -2.724) 8.415 8.326 ( 0.266 -2.250 2.669) 3.502 8.900 ( -4.282 -6.230 -0.830) 7.605 9.813 ( -7.056 4.226 -5.236) 9.750 9.884 ( -2.198 1.670 -4.444) 5.231 10.240 ( 9.936 2.417 5.611) 11.664 11.671 ( 5.712 2.384 1.654) 6.406 11.936 ( 4.212 0.799 1.235) 4.461 13.113 ( -8.976 -8.183 -0.721) 12.168 13.288 ( -7.727 -3.215 -2.521) 8.741 13.571 ( 6.641 7.901 2.911) 10.723 14.382 ( 3.563 -5.177 -1.563) 6.476 14.479 ( 1.310 -1.177 1.845) 2.550 14.684 ( 0.905 -0.604 -1.362) 1.743 15.134 ( 0.665 11.380 4.600) 12.293 16.271 ( -3.590 -3.845 -1.027) 5.360 20.077 ( -1.855 -0.314 1.216) 2.240 21.163 ( 2.957 6.462 0.283) 7.112 21.393 ( -0.666 1.052 -1.190) 1.722 22.009 ( -3.117 -2.626 -2.672) 4.873 22.487 ( -2.657 3.725 -1.600) 4.847 23.145 ( 1.914 0.187 -1.320) 2.333 23.706 ( 12.287 2.658 5.881) 13.879 24.704 ( -3.554 -4.232 -3.438) 6.508 25.050 ( -1.436 1.844 0.890) 2.501 25.599 ( -1.463 -3.024 0.621) 3.416 ======================= Grid point 17 (12/227) ======================= q-point: (-0.40 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -6.036 9.312 3.871) 11.752 2.250 ( -0.158 -0.610 -1.537) 1.661 2.327 ( -0.061 4.236 -1.483) 4.488 2.576 ( -7.803 17.195 -8.587) 20.743 3.178 ( 11.113 10.285 -6.855) 16.621 3.670 ( -2.031 6.589 -8.609) 11.030 3.913 ( -4.594 17.020 -4.773) 18.264 4.293 ( 3.497 2.282 1.864) 4.573 4.541 ( -17.052 16.155 4.591) 23.934 4.894 ( -11.141 -6.439 0.166) 12.869 5.379 ( 0.168 -9.693 4.075) 10.516 5.525 ( -0.398 -5.752 -2.156) 6.155 5.843 ( -3.974 15.679 7.417) 17.794 5.991 ( 13.032 -1.640 -12.058) 17.831 6.175 ( 3.188 -5.352 8.268) 10.352 6.286 ( 12.319 4.779 7.476) 15.182 6.528 ( -10.826 1.021 4.985) 11.962 6.962 ( -6.894 7.236 -2.967) 10.426 7.099 ( 0.213 -9.263 -5.933) 11.002 7.349 ( 8.520 -6.507 -7.712) 13.206 7.573 ( 12.141 -1.454 6.387) 13.795 7.823 ( 4.160 -6.249 3.428) 8.253 8.233 ( -1.832 -4.723 0.071) 5.067 8.387 ( 0.528 -4.878 0.998) 5.007 8.886 ( -4.855 -4.498 -0.534) 6.640 9.584 ( -8.821 4.472 -8.284) 12.901 9.820 ( -1.103 2.467 -3.477) 4.404 10.397 ( 8.810 0.434 2.775) 9.247 11.750 ( 8.202 2.049 -0.810) 8.493 12.044 ( 9.444 -0.332 1.923) 9.643 13.020 ( -12.199 -5.786 -2.710) 13.771 13.197 ( -10.132 -4.563 0.823) 11.142 13.575 ( 4.340 8.651 1.290) 9.765 14.446 ( 2.784 1.217 3.538) 4.664 14.574 ( 6.117 -4.141 -3.430) 8.144 14.715 ( 1.518 -1.994 1.765) 3.065 15.050 ( -0.441 9.461 4.867) 10.649 16.211 ( -7.784 -1.139 0.006) 7.867 20.055 ( -2.241 -0.599 -0.282) 2.337 21.129 ( 1.131 5.328 -0.074) 5.447 21.355 ( -2.793 1.232 0.879) 3.177 21.906 ( -7.099 4.123 -3.117) 8.781 22.321 ( -3.758 8.647 -3.481) 10.050 23.163 ( 3.584 1.057 -2.872) 4.713 24.016 ( 17.920 -3.613 9.393) 20.553 24.674 ( -3.821 -6.197 -5.889) 9.364 25.005 ( -1.336 2.750 -0.252) 3.067 25.609 ( -2.648 -2.723 1.324) 4.022 ======================= Grid point 18 (13/227) ======================= q-point: (-0.30 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -11.043 13.219 1.240) 17.269 2.041 ( -21.676 20.626 -14.803) 33.383 2.239 ( -4.449 -2.767 -2.205) 5.684 2.264 ( 4.384 8.119 -1.920) 9.425 3.049 ( -2.706 21.907 -10.068) 24.261 3.358 ( -9.864 17.264 -14.724) 24.741 3.818 ( 15.406 12.729 7.827) 21.462 4.105 ( -12.693 12.557 -1.406) 17.911 4.328 ( 3.264 10.158 7.497) 13.040 4.816 ( -5.565 2.824 0.058) 6.241 5.460 ( -6.246 1.322 -3.669) 7.363 5.581 ( -0.851 -10.828 6.217) 12.515 5.795 ( 2.669 -2.341 8.606) 9.309 6.065 ( 0.697 -2.058 -5.973) 6.357 6.232 ( 1.792 -4.140 -2.770) 5.294 6.438 ( -5.949 -3.443 1.222) 6.981 6.486 ( 0.696 -3.692 6.813) 7.780 6.823 ( 7.151 7.609 2.270) 10.685 7.155 ( -0.121 -8.015 -5.008) 9.452 7.531 ( 9.960 -5.818 -3.692) 12.112 7.816 ( 11.592 0.720 6.419) 13.270 7.919 ( 3.536 3.020 2.218) 5.152 8.246 ( -2.872 -2.673 0.886) 4.022 8.469 ( -1.892 -11.566 -2.120) 11.910 8.848 ( -5.464 -2.459 -0.086) 5.992 9.358 ( -7.125 1.548 -12.445) 14.424 9.754 ( -0.575 3.844 -0.720) 3.953 10.506 ( 5.841 -0.004 -2.688) 6.430 11.878 ( 11.889 0.517 0.260) 11.903 12.236 ( 12.741 -1.691 1.288) 12.917 12.864 ( -14.209 -5.453 -3.051) 15.522 13.081 ( -12.968 -2.978 2.109) 13.471 13.523 ( 1.455 9.277 0.168) 9.392 14.514 ( 5.039 1.862 4.799) 7.203 14.661 ( 5.157 -2.492 -6.179) 8.425 14.809 ( 3.451 -3.630 4.571) 6.781 14.988 ( 1.856 9.234 5.944) 11.137 16.070 ( -12.470 0.159 1.150) 12.524 20.022 ( -2.547 -0.907 -1.216) 2.964 21.069 ( -2.547 3.428 -1.297) 4.463 21.298 ( -2.062 3.590 2.172) 4.675 21.705 ( -5.926 9.728 -0.748) 11.415 22.181 ( -2.089 6.063 -1.327) 6.549 23.192 ( 5.726 1.982 -3.382) 6.939 24.365 ( 12.617 -4.422 7.042) 15.110 24.665 ( -0.344 -8.617 -8.570) 12.157 24.955 ( 0.377 4.147 0.029) 4.165 25.588 ( -5.746 -2.378 1.341) 6.362 ======================= Grid point 19 (14/227) ======================= q-point: (-0.20 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -12.241 17.983 -1.682) 21.819 1.341 ( -23.336 23.619 -15.078) 36.466 2.127 ( 2.461 25.748 -5.486) 26.441 2.195 ( -3.059 6.975 -1.519) 7.766 2.535 ( -12.903 20.280 -2.583) 24.175 2.949 ( -7.614 15.962 -9.415) 20.035 3.894 ( -4.004 4.337 1.550) 6.102 4.047 ( 22.477 11.596 6.075) 26.011 4.291 ( 1.271 10.610 5.774) 12.146 4.631 ( -6.199 12.785 -3.459) 14.623 5.340 ( -3.997 -0.053 -1.709) 4.347 5.589 ( -12.306 -5.526 -0.156) 13.491 5.946 ( 4.409 -6.643 2.144) 8.256 6.155 ( 2.530 -8.204 6.792) 10.947 6.309 ( -3.695 -3.683 -5.232) 7.389 6.383 ( 0.247 -11.136 -4.531) 12.025 6.515 ( -3.734 -7.136 3.073) 8.620 6.987 ( 8.206 2.381 4.353) 9.590 7.266 ( 9.949 -4.394 2.454) 11.149 7.675 ( 3.676 -5.532 -4.449) 7.994 7.837 ( 2.451 13.708 4.591) 14.662 8.044 ( 9.047 1.503 6.107) 11.018 8.209 ( -3.005 1.439 -0.673) 3.399 8.531 ( -4.677 -11.434 -2.709) 12.647 8.769 ( -6.606 0.564 -0.377) 6.640 9.165 ( -7.674 -5.007 -20.261) 22.237 9.718 ( 1.133 4.657 2.461) 5.388 10.537 ( 3.326 -0.368 -7.057) 7.810 12.096 ( 14.607 -0.925 4.538) 15.324 12.443 ( 10.098 -2.339 -3.106) 10.821 12.698 ( -12.109 -4.588 -1.119) 12.997 12.914 ( -14.641 -2.476 2.061) 14.991 13.419 ( -0.555 9.957 -0.171) 9.974 14.610 ( 4.553 -0.100 3.441) 5.708 14.717 ( 4.388 -3.097 -5.394) 7.613 14.893 ( -2.936 -3.654 3.150) 5.647 15.049 ( 18.657 12.309 8.406) 23.881 15.850 ( -19.854 -0.765 2.135) 19.983 19.989 ( -2.121 -1.075 -1.099) 2.620 20.960 ( -4.830 2.817 -1.889) 5.902 21.270 ( 3.420 5.612 2.779) 7.135 21.520 ( -5.908 9.530 2.109) 11.410 22.102 ( -1.067 3.250 0.927) 3.544 23.248 ( 8.039 2.352 -2.366) 8.703 24.490 ( -3.812 -6.203 -2.938) 7.851 24.770 ( 4.761 -5.152 -4.695) 8.441 24.973 ( 10.705 3.716 1.201) 11.395 25.501 ( -10.636 -2.312 0.555) 10.898 ======================= Grid point 20 (15/227) ======================= q-point: (-0.10 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -0.000 21.603 0.000) 21.603 0.743 ( -0.000 31.220 0.000) 31.220 1.487 ( -0.000 64.709 0.000) 64.709 2.142 ( 0.000 -2.439 -0.000) 2.439 2.388 ( -0.000 1.706 0.000) 1.706 2.688 ( -0.000 13.607 0.000) 13.607 3.848 ( -0.000 1.437 0.000) 1.437 4.187 ( -0.000 6.047 0.000) 6.047 4.197 ( -0.000 11.605 0.000) 11.605 4.372 ( -0.000 12.987 0.000) 12.987 5.314 ( 0.000 -1.116 -0.000) 1.116 5.525 ( 0.000 -4.160 -0.000) 4.160 6.020 ( 0.000 -0.125 -0.000) 0.125 6.285 ( 0.000 -6.935 -0.000) 6.935 6.338 ( 0.000 -13.642 -0.000) 13.642 6.471 ( 0.000 -0.268 -0.000) 0.268 6.646 ( 0.000 -17.332 -0.000) 17.332 7.033 ( 0.000 -0.718 -0.000) 0.718 7.431 ( -0.000 2.452 0.000) 2.452 7.713 ( -0.000 14.442 0.000) 14.442 7.770 ( 0.000 -10.252 -0.000) 10.252 8.140 ( -0.000 5.157 0.000) 5.157 8.151 ( -0.000 1.939 0.000) 1.939 8.602 ( 0.000 -9.306 -0.000) 9.306 8.638 ( -0.000 4.726 0.000) 4.726 8.985 ( -0.000 0.614 0.000) 0.614 9.692 ( -0.000 3.993 0.000) 3.993 10.544 ( 0.000 -1.306 -0.000) 1.306 12.348 ( 0.000 -2.269 -0.000) 2.269 12.398 ( 0.000 -1.656 -0.000) 1.656 12.667 ( -0.000 4.291 0.000) 4.291 12.838 ( 0.000 -9.722 -0.000) 9.722 13.298 ( -0.000 9.891 0.000) 9.891 14.664 ( 0.000 -0.863 -0.000) 0.863 14.804 ( 0.000 -7.597 -0.000) 7.597 14.898 ( 0.000 -1.026 -0.000) 1.026 15.295 ( -0.000 9.228 0.000) 9.228 15.546 ( -0.000 0.437 0.000) 0.437 19.978 ( 0.000 -0.902 -0.000) 0.902 20.880 ( -0.000 2.417 0.000) 2.417 21.300 ( -0.000 2.904 0.000) 2.904 21.333 ( -0.000 9.488 0.000) 9.488 22.089 ( -0.000 0.377 0.000) 0.377 23.324 ( 0.000 -0.509 -0.000) 0.509 24.465 ( 0.000 -3.457 -0.000) 3.457 24.796 ( 0.000 -0.513 -0.000) 0.513 25.111 ( -0.000 2.065 0.000) 2.065 25.388 ( 0.000 -2.275 -0.000) 2.275 ======================= Grid point 23 (16/227) ======================= q-point: ( 0.20 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 14.356 -0.000 9.387) 17.152 1.889 ( 11.018 -0.000 11.778) 16.128 2.422 ( 2.718 -0.000 -2.037) 3.397 2.623 ( 9.345 -0.000 2.510) 9.677 3.000 ( -1.406 0.000 1.686) 2.196 3.452 ( 27.591 -0.000 17.825) 32.848 3.982 ( 11.507 -0.000 -8.109) 14.077 4.051 ( 21.667 -0.000 12.779) 25.155 4.594 ( 7.888 -0.000 7.450) 10.850 4.664 ( 14.376 -0.000 1.184) 14.424 5.589 ( -13.982 0.000 -5.104) 14.885 5.619 ( 8.247 -0.000 2.203) 8.536 5.721 ( -10.063 0.000 -6.364) 11.906 5.988 ( -9.234 0.000 -6.020) 11.023 6.074 ( 5.403 -0.000 0.999) 5.495 6.181 ( -11.802 0.000 -5.689) 13.102 6.442 ( -3.088 0.000 2.973) 4.287 7.115 ( 3.374 -0.000 -9.746) 10.314 7.233 ( 12.094 -0.000 1.317) 12.165 7.306 ( -12.074 0.000 7.515) 14.222 7.600 ( -6.711 0.000 -1.930) 6.983 7.834 ( 3.607 -0.000 4.966) 6.138 8.254 ( -5.347 0.000 -10.485) 11.770 8.535 ( -15.159 0.000 -6.850) 16.635 8.647 ( -4.118 0.000 0.389) 4.137 9.882 ( 9.016 -0.000 9.546) 13.131 10.138 ( -0.568 0.000 1.704) 1.796 10.209 ( -7.895 0.000 -0.520) 7.912 11.611 ( -2.465 0.000 5.176) 5.733 11.914 ( -4.206 0.000 0.737) 4.270 13.010 ( -3.311 0.000 1.086) 3.485 13.441 ( -0.426 0.000 -5.530) 5.546 13.473 ( 8.867 -0.000 6.857) 11.209 14.008 ( 4.538 -0.000 -5.775) 7.345 14.505 ( -3.498 0.000 1.628) 3.858 14.731 ( -1.042 0.000 -4.262) 4.388 15.462 ( 3.878 -0.000 10.132) 10.849 16.023 ( 4.978 -0.000 -10.629) 11.737 20.081 ( -1.734 0.000 5.127) 5.413 21.393 ( 4.641 -0.000 1.689) 4.938 21.496 ( 7.555 -0.000 -12.071) 14.240 21.619 ( 2.401 -0.000 1.809) 3.007 21.921 ( 16.620 -0.000 8.197) 18.531 23.106 ( -0.335 0.000 3.675) 3.690 24.151 ( -10.334 0.000 -6.550) 12.235 24.716 ( -2.798 0.000 -1.325) 3.096 25.200 ( -5.451 0.000 6.495) 8.479 25.460 ( 0.233 -0.000 -0.124) 0.264 ======================= Grid point 24 (17/227) ======================= q-point: ( 0.30 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 8.241 7.543 8.293) 13.914 2.060 ( 1.429 -6.192 4.388) 7.723 2.442 ( 3.287 1.525 -2.216) 4.247 2.832 ( 14.461 2.415 7.298) 16.377 3.054 ( 9.062 2.770 3.002) 9.940 3.920 ( 15.421 -3.825 13.043) 20.556 4.028 ( 9.694 6.445 -9.972) 15.329 4.406 ( 10.741 -2.947 10.713) 15.454 4.674 ( 3.472 4.538 -0.756) 5.764 4.852 ( -1.079 -10.381 -3.371) 10.968 5.375 ( -10.576 -4.272 -6.043) 12.909 5.665 ( 8.013 3.175 -1.775) 8.800 5.770 ( 2.847 -1.731 1.846) 3.809 5.869 ( -4.992 4.481 -6.921) 9.638 5.937 ( -1.642 0.896 2.032) 2.762 6.147 ( 7.940 6.489 7.799) 12.884 6.530 ( 1.287 -11.160 4.866) 12.243 7.045 ( -2.320 7.215 -5.074) 9.121 7.219 ( 0.411 3.970 2.357) 4.635 7.372 ( -0.786 -3.891 -2.130) 4.504 7.531 ( -1.892 -2.526 0.113) 3.158 7.854 ( -4.018 7.359 2.023) 8.625 7.971 ( -13.004 -4.864 -14.912) 20.374 8.348 ( -4.921 3.389 -0.216) 5.979 8.645 ( -5.642 -10.339 0.194) 11.780 9.967 ( -0.013 4.475 2.573) 5.162 10.094 ( -5.775 -0.178 -5.543) 8.007 10.180 ( 7.545 2.329 3.712) 8.725 11.651 ( 2.606 1.162 6.046) 6.685 11.910 ( 0.726 -0.300 3.265) 3.358 12.969 ( -5.958 -3.880 0.951) 7.174 13.356 ( -5.432 -0.693 -6.604) 8.579 13.626 ( 7.762 2.805 6.531) 10.524 14.083 ( 6.081 -5.061 -4.849) 9.279 14.477 ( -2.543 -0.001 2.992) 3.926 14.693 ( 0.196 0.145 -4.271) 4.278 15.509 ( 2.144 10.650 8.851) 14.012 16.062 ( 1.803 -7.917 -7.023) 10.736 20.084 ( -2.466 -0.079 4.401) 5.046 21.399 ( 4.281 8.756 1.090) 9.807 21.473 ( 3.809 5.233 -7.173) 9.661 21.750 ( 2.161 -13.892 -3.501) 14.489 22.262 ( 15.367 -2.510 11.063) 19.101 23.127 ( 0.974 0.007 1.077) 1.452 23.949 ( -5.154 6.621 -4.975) 9.755 24.663 ( -4.527 -2.206 -2.037) 5.432 25.145 ( -3.429 2.973 4.372) 6.302 25.482 ( -1.012 -4.030 -0.500) 4.185 ======================= Grid point 25 (18/227) ======================= q-point: ( 0.40 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 2.178 10.972 6.119) 12.751 2.148 ( -1.489 -6.127 0.981) 6.381 2.453 ( 2.962 3.296 -1.317) 4.623 3.022 ( 15.287 10.910 2.797) 18.988 3.245 ( 13.934 1.586 5.026) 14.897 3.932 ( -3.269 3.649 -8.462) 9.778 4.193 ( 10.160 2.713 3.584) 11.110 4.468 ( -7.829 5.707 -8.371) 12.804 4.618 ( 2.688 2.623 9.749) 10.447 4.967 ( 0.653 -12.802 1.632) 12.922 5.258 ( -8.247 -1.506 -5.183) 9.856 5.534 ( -14.664 0.399 -4.853) 15.451 5.811 ( 8.001 0.618 -2.134) 8.304 5.877 ( 10.638 -1.869 -0.210) 10.803 6.131 ( 15.227 2.905 8.328) 17.597 6.323 ( 13.297 7.093 9.944) 18.056 6.715 ( -1.614 -12.517 -0.115) 12.621 6.820 ( -8.582 10.519 3.143) 13.935 7.242 ( 9.638 6.012 -3.551) 11.901 7.287 ( -9.464 0.102 -8.027) 12.410 7.493 ( -6.913 -7.135 -1.666) 10.074 7.647 ( -2.757 7.661 -0.411) 8.152 7.959 ( 0.400 -9.662 -2.726) 10.048 8.284 ( -3.590 -0.890 3.352) 4.991 8.684 ( -6.497 -12.269 -0.454) 13.890 9.896 ( -5.258 2.919 -3.364) 6.891 9.953 ( -1.654 3.623 -6.608) 7.715 10.317 ( 9.456 3.378 5.523) 11.460 11.727 ( 5.497 2.305 3.257) 6.792 11.962 ( 3.771 1.252 3.354) 5.199 12.938 ( -7.467 -6.590 1.694) 10.103 13.215 ( -9.654 -2.674 -6.413) 11.894 13.728 ( 6.857 5.685 5.258) 10.343 14.222 ( 7.024 -6.976 -3.076) 10.366 14.472 ( -1.277 -0.098 3.837) 4.045 14.676 ( 1.254 -0.168 -3.997) 4.192 15.438 ( 0.946 14.151 6.441) 15.576 16.124 ( -2.160 -8.780 -3.362) 9.646 20.070 ( -3.113 -0.287 3.065) 4.377 21.358 ( 3.896 10.201 -0.327) 10.924 21.427 ( 0.988 1.694 -4.222) 4.655 21.886 ( 1.696 -8.187 -2.557) 8.743 22.503 ( 4.688 -0.923 5.066) 6.964 23.149 ( 2.266 0.269 -1.056) 2.514 23.850 ( 6.776 7.939 1.532) 10.550 24.602 ( -6.264 -4.405 -3.261) 8.323 25.102 ( -1.670 2.631 2.640) 4.084 25.506 ( -2.073 -4.759 -0.316) 5.201 ======================= Grid point 26 (19/227) ======================= q-point: (-0.50 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -1.275 11.806 5.224) 12.973 2.172 ( -2.869 -4.438 -1.224) 5.425 2.414 ( -1.645 4.797 -1.529) 5.297 3.014 ( 2.817 17.879 -6.202) 19.133 3.404 ( 13.676 9.133 -2.117) 16.581 3.794 ( 1.607 2.296 -9.037) 9.462 4.192 ( -6.350 3.235 -4.192) 8.267 4.357 ( 8.020 6.709 6.713) 12.426 4.668 ( -2.063 1.237 7.319) 7.704 4.964 ( -11.903 10.195 -0.763) 15.691 5.163 ( -0.395 -9.024 4.766) 10.212 5.433 ( -1.065 -3.170 -2.587) 4.228 5.947 ( 10.260 -2.643 -6.156) 12.254 6.022 ( 2.864 -1.922 8.697) 9.356 6.288 ( 1.375 16.499 -6.168) 17.668 6.387 ( 10.497 4.011 5.056) 12.323 6.585 ( -10.005 4.196 7.646) 13.273 6.866 ( 1.663 -10.194 -4.023) 11.085 7.105 ( -7.287 -1.030 -4.032) 8.391 7.257 ( 4.435 4.533 -5.947) 8.694 7.544 ( 3.791 -6.571 0.412) 7.598 7.649 ( 6.263 -2.263 5.123) 8.403 8.070 ( -0.007 -9.399 -0.900) 9.442 8.294 ( -2.523 -3.691 3.415) 5.626 8.716 ( -6.488 -10.725 0.465) 12.544 9.699 ( -8.222 4.877 -7.552) 12.182 9.892 ( 1.723 3.473 -4.008) 5.577 10.450 ( 9.112 3.827 4.513) 10.865 11.794 ( 5.859 1.830 -1.141) 6.243 12.053 ( 7.542 0.989 3.331) 8.304 12.894 ( -9.819 -5.222 0.113) 11.121 13.067 ( -11.472 -5.937 -2.666) 13.190 13.771 ( 5.348 8.207 3.459) 10.388 14.391 ( 7.268 -5.805 -1.081) 9.364 14.497 ( 0.622 -1.349 3.240) 3.564 14.680 ( 1.655 -1.042 -2.838) 3.447 15.332 ( 1.028 13.923 5.529) 15.015 16.129 ( -6.399 -6.067 -1.752) 8.990 20.041 ( -3.584 -0.619 1.453) 3.917 21.280 ( 0.186 7.463 -2.000) 7.729 21.406 ( 1.731 2.800 -1.113) 3.475 21.938 ( -0.179 -1.093 -0.849) 1.395 22.481 ( -3.360 5.636 -2.054) 6.875 23.177 ( 3.691 0.392 -2.391) 4.415 24.008 ( 16.088 2.536 8.172) 18.222 24.534 ( -6.799 -6.159 -4.813) 10.360 25.068 ( -0.583 2.852 1.184) 3.143 25.520 ( -3.585 -4.975 0.283) 6.138 ======================= Grid point 27 (20/227) ======================= q-point: (-0.40 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -4.170 14.838 3.896) 15.898 2.127 ( -10.054 -3.812 -7.083) 12.876 2.255 ( -8.156 5.228 -3.473) 10.292 2.690 ( -2.744 20.011 -7.810) 21.656 3.431 ( 10.535 13.770 -7.804) 19.013 3.727 ( 0.144 12.503 -4.930) 13.441 4.104 ( 9.398 9.903 -0.210) 13.654 4.358 ( -1.826 10.274 -0.552) 10.450 4.664 ( -4.546 5.086 10.666) 12.661 4.763 ( 2.676 7.891 7.747) 11.377 5.296 ( -0.875 -9.993 2.706) 10.390 5.466 ( 1.479 -2.470 0.350) 2.901 5.905 ( -7.315 6.763 2.989) 10.401 6.093 ( 0.494 7.412 -7.478) 10.541 6.166 ( 1.936 -2.151 -0.106) 2.895 6.392 ( -5.476 -0.960 -4.025) 6.863 6.482 ( -3.113 3.873 6.252) 7.986 6.962 ( 1.651 -8.209 -3.607) 9.117 6.999 ( 1.935 7.366 0.380) 7.625 7.361 ( 9.338 -9.340 -5.426) 14.278 7.720 ( 3.978 -11.479 2.863) 12.481 7.865 ( 10.908 -3.032 4.906) 12.338 8.144 ( -0.982 -5.937 0.819) 6.073 8.307 ( -3.988 -4.087 0.309) 5.719 8.744 ( -4.833 -7.065 3.294) 9.172 9.455 ( -8.168 5.398 -11.120) 14.816 9.858 ( 2.146 4.820 -0.644) 5.315 10.547 ( 6.462 3.899 1.371) 7.670 11.874 ( 8.559 -0.891 -2.229) 8.890 12.205 ( 10.054 -0.959 2.206) 10.338 12.752 ( -13.889 -4.177 -3.009) 14.813 12.975 ( -10.971 -5.687 2.240) 12.559 13.749 ( 3.277 10.289 1.652) 10.924 14.514 ( 3.098 -1.135 3.204) 4.599 14.576 ( 4.652 -4.197 -3.454) 7.154 14.721 ( 1.731 -3.483 1.353) 4.118 15.256 ( 4.636 12.600 5.502) 14.509 16.041 ( -10.850 -2.849 -1.427) 11.308 20.000 ( -3.599 -0.934 0.098) 3.720 21.172 ( -2.935 5.473 -2.317) 6.628 21.396 ( 2.615 4.282 0.454) 5.038 21.901 ( -0.607 6.780 1.884) 7.063 22.318 ( -4.390 7.121 -4.563) 9.529 23.218 ( 4.861 0.569 -2.588) 5.536 24.288 ( 9.624 -2.540 6.786) 12.046 24.503 ( 0.835 -6.099 -4.175) 7.438 25.039 ( 0.912 3.332 0.332) 3.470 25.505 ( -6.563 -4.726 0.590) 8.109 ======================= Grid point 28 (21/227) ======================= q-point: (-0.30 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -5.340 19.822 1.336) 20.572 1.735 ( -19.552 10.461 -12.468) 25.440 2.153 ( -2.814 0.553 -1.476) 3.225 2.502 ( 3.989 12.204 -1.102) 12.886 3.275 ( 1.766 20.218 -6.739) 21.384 3.419 ( -4.415 32.218 -2.177) 32.592 4.011 ( -6.024 5.924 -5.460) 10.060 4.374 ( 21.907 16.846 5.641) 28.205 4.587 ( 0.289 13.173 9.526) 16.259 4.825 ( 3.769 5.154 3.544) 7.302 5.344 ( -4.799 -6.208 -3.078) 8.429 5.466 ( -10.729 1.584 4.042) 11.574 5.810 ( 2.529 -4.634 -2.037) 5.659 6.021 ( -3.610 -1.887 9.191) 10.053 6.148 ( -4.604 -5.734 -7.033) 10.176 6.285 ( -1.776 1.283 -8.667) 8.939 6.447 ( -3.339 -1.445 2.058) 4.180 6.999 ( 0.841 -1.501 -2.402) 2.954 7.152 ( 13.188 -4.093 7.210) 15.578 7.518 ( 1.119 -8.381 -5.460) 10.065 7.947 ( 5.205 -11.908 2.475) 13.229 8.041 ( 7.270 1.754 3.224) 8.144 8.189 ( 0.034 -1.792 0.362) 1.828 8.286 ( -5.425 -7.002 -0.738) 8.888 8.773 ( -2.070 -0.906 6.319) 6.711 9.192 ( -7.438 4.392 -14.161) 16.588 9.837 ( 2.095 5.649 1.893) 6.316 10.565 ( 2.347 3.527 -2.140) 4.746 12.055 ( 12.991 -3.285 1.225) 13.456 12.383 ( 9.252 -3.050 -2.569) 10.075 12.570 ( -14.367 -5.507 -0.852) 15.410 12.871 ( -11.149 -1.749 2.517) 11.563 13.665 ( 1.185 11.601 0.352) 11.667 14.585 ( 1.837 -1.644 2.639) 3.611 14.635 ( 2.082 -2.883 -4.086) 5.417 14.810 ( 0.740 -4.311 2.783) 5.185 15.298 ( 13.710 9.808 5.865) 17.848 15.848 ( -15.806 0.024 -2.147) 15.951 19.963 ( -2.544 -1.110 -0.450) 2.812 21.049 ( -3.277 5.038 -1.652) 6.233 21.393 ( 2.988 4.636 0.914) 5.590 21.801 ( -0.090 14.211 3.822) 14.717 22.162 ( -3.749 3.129 -4.369) 6.552 23.271 ( 4.648 0.278 -1.504) 4.893 24.347 ( -4.803 -6.590 -2.377) 8.494 24.686 ( 10.656 -2.712 1.729) 11.131 25.052 ( 6.800 2.918 0.811) 7.443 25.428 ( -10.998 -3.947 0.132) 11.686 ======================= Grid point 29 (22/227) ======================= q-point: (-0.20 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.000 22.740 0.000) 22.740 1.339 ( -0.000 20.679 0.000) 20.679 2.117 ( -0.000 0.013 0.000) 0.013 2.450 ( -0.000 5.305 0.000) 5.305 2.839 ( -0.000 54.415 0.000) 54.415 3.053 ( -0.000 17.703 0.000) 17.703 3.902 ( -0.000 3.150 0.000) 3.150 4.424 ( -0.000 14.929 0.000) 14.929 4.490 ( -0.000 12.089 0.000) 12.089 4.725 ( -0.000 17.837 0.000) 17.837 5.304 ( -0.000 1.408 0.000) 1.408 5.374 ( 0.000 -9.776 -0.000) 9.776 6.009 ( 0.000 -0.941 -0.000) 0.941 6.045 ( 0.000 -13.787 -0.000) 13.787 6.115 ( 0.000 -6.955 -0.000) 6.955 6.295 ( 0.000 -8.851 -0.000) 8.851 6.449 ( 0.000 -1.673 -0.000) 1.673 7.009 ( 0.000 -1.388 -0.000) 1.388 7.409 ( 0.000 -3.778 -0.000) 3.778 7.540 ( 0.000 -9.764 -0.000) 9.764 8.015 ( -0.000 8.416 0.000) 8.416 8.163 ( 0.000 -0.197 -0.000) 0.197 8.180 ( 0.000 -4.013 -0.000) 4.013 8.337 ( 0.000 -11.490 -0.000) 11.490 8.760 ( -0.000 5.231 0.000) 5.231 9.018 ( -0.000 2.452 0.000) 2.452 9.802 ( -0.000 5.471 0.000) 5.471 10.538 ( -0.000 1.617 0.000) 1.617 12.319 ( 0.000 -0.231 -0.000) 0.231 12.323 ( 0.000 -5.651 -0.000) 5.651 12.611 ( 0.000 -9.882 -0.000) 9.882 12.753 ( -0.000 2.994 0.000) 2.994 13.541 ( -0.000 11.691 0.000) 11.691 14.632 ( 0.000 -1.955 -0.000) 1.955 14.671 ( 0.000 -4.075 -0.000) 4.075 14.860 ( 0.000 -2.589 -0.000) 2.589 15.482 ( -0.000 7.069 0.000) 7.069 15.570 ( -0.000 1.871 0.000) 1.871 19.953 ( 0.000 -1.174 -0.000) 1.174 20.960 ( -0.000 4.672 0.000) 4.672 21.380 ( -0.000 3.865 0.000) 3.865 21.630 ( -0.000 16.447 0.000) 16.447 22.101 ( -0.000 0.603 0.000) 0.603 23.310 ( 0.000 -0.596 -0.000) 0.596 24.360 ( 0.000 -5.704 -0.000) 5.704 24.781 ( 0.000 -0.796 -0.000) 0.796 25.163 ( -0.000 2.178 0.000) 2.178 25.318 ( 0.000 -3.857 -0.000) 3.857 ======================= Grid point 34 (23/227) ======================= q-point: ( 0.30 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 4.624 -0.000 8.208) 9.421 2.003 ( -2.843 0.000 -0.354) 2.865 2.498 ( 4.414 -0.000 -0.752) 4.478 3.133 ( 13.580 -0.000 12.567) 18.502 3.273 ( 15.822 -0.000 2.167) 15.969 3.935 ( -10.914 0.000 -5.358) 12.158 4.294 ( 19.100 -0.000 -11.998) 22.556 4.560 ( 2.242 -0.000 6.657) 7.024 4.635 ( -1.478 0.000 -5.200) 5.406 4.788 ( 2.701 -0.000 7.097) 7.594 5.215 ( -3.406 0.000 -1.554) 3.743 5.542 ( -19.872 0.000 -5.407) 20.594 5.837 ( 12.905 -0.000 -3.209) 13.298 5.844 ( 5.755 -0.000 0.139) 5.756 6.199 ( 14.412 -0.000 5.713) 15.503 6.402 ( 12.668 -0.000 6.057) 14.042 6.514 ( 0.625 -0.000 11.798) 11.814 7.035 ( -6.297 0.000 4.040) 7.482 7.230 ( -9.339 0.000 -4.222) 10.249 7.344 ( 13.951 -0.000 -5.316) 14.929 7.390 ( -17.086 0.000 -7.845) 18.800 7.666 ( 0.337 -0.000 -10.082) 10.088 7.928 ( -2.066 0.000 4.916) 5.333 8.303 ( -4.390 0.000 0.711) 4.447 8.470 ( -8.773 0.000 1.680) 8.932 9.930 ( -6.167 0.000 -2.915) 6.821 10.002 ( -0.804 0.000 -7.821) 7.862 10.358 ( 9.574 -0.000 5.284) 10.935 11.757 ( 4.876 -0.000 4.023) 6.321 11.978 ( 4.204 -0.000 4.613) 6.241 12.858 ( -7.009 0.000 2.340) 7.389 13.184 ( -10.244 0.000 -7.654) 12.788 13.801 ( 7.308 -0.000 6.789) 9.975 14.130 ( 7.735 -0.000 -3.406) 8.452 14.471 ( -1.587 0.000 3.953) 4.260 14.674 ( 1.444 -0.000 -5.027) 5.230 15.659 ( -0.715 0.000 11.187) 11.210 15.965 ( -0.154 0.000 -8.527) 8.528 20.066 ( -3.554 0.000 3.695) 5.127 21.445 ( 2.090 -0.000 -4.279) 4.762 21.551 ( -2.707 0.000 -4.438) 5.198 21.718 ( 10.157 -0.000 0.481) 10.168 22.488 ( 7.434 -0.000 7.463) 10.534 23.153 ( 2.426 -0.000 -1.012) 2.629 23.959 ( 4.486 -0.000 -0.219) 4.491 24.542 ( -7.470 0.000 -2.948) 8.031 25.143 ( -2.395 0.000 3.789) 4.483 25.436 ( -1.567 0.000 -1.313) 2.045 ======================= Grid point 35 (24/227) ======================= q-point: (-0.60 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -1.798 7.934 1.650) 8.301 2.064 ( -2.163 -5.004 1.158) 5.573 2.538 ( 2.725 4.650 1.105) 5.502 3.329 ( 5.331 10.277 1.934) 11.737 3.544 ( 17.809 2.950 2.966) 18.294 3.661 ( -13.297 -10.320 -9.307) 19.233 4.276 ( 1.016 4.288 -9.682) 10.638 4.515 ( -0.781 6.603 2.158) 6.990 4.773 ( 5.023 2.855 1.144) 5.890 4.934 ( 5.831 -5.522 3.702) 8.843 5.187 ( -2.129 5.958 5.386) 8.309 5.340 ( -0.994 -5.346 -0.053) 5.437 5.926 ( 7.365 1.315 -2.039) 7.755 5.998 ( 8.077 -0.463 1.292) 8.193 6.392 ( 9.279 -1.586 4.669) 10.508 6.582 ( -0.074 5.236 0.853) 5.305 6.621 ( 7.415 -2.715 2.448) 8.267 6.856 ( -6.347 12.518 2.813) 14.314 6.994 ( -16.226 -4.305 -8.849) 18.977 7.264 ( -3.876 -12.859 -1.741) 13.542 7.484 ( 9.447 9.082 -2.939) 13.430 7.676 ( 4.503 -2.210 -4.006) 6.419 7.912 ( -1.045 -1.287 3.262) 3.659 8.252 ( -3.565 1.277 5.607) 6.766 8.437 ( -7.419 -12.316 2.302) 14.561 9.778 ( -8.026 1.905 -7.437) 11.107 9.955 ( 2.311 1.740 -5.434) 6.156 10.526 ( 9.809 2.134 5.021) 11.224 11.826 ( 3.446 0.873 -0.950) 3.680 12.076 ( 5.607 0.771 4.052) 6.961 12.805 ( -5.651 -2.318 4.105) 7.359 12.967 ( -13.196 -2.510 -6.727) 15.023 13.923 ( 6.468 4.636 5.724) 9.802 14.260 ( 8.110 -4.457 -0.741) 9.284 14.482 ( -0.753 -0.279 4.054) 4.133 14.666 ( 2.296 -0.256 -5.891) 6.328 15.628 ( -1.328 11.380 7.044) 13.450 15.955 ( -3.565 -8.537 -4.182) 10.153 20.030 ( -4.224 -0.251 2.358) 4.844 21.423 ( -1.098 4.005 -4.786) 6.337 21.460 ( 0.715 1.757 -3.282) 3.790 21.886 ( 7.028 -2.362 1.991) 7.677 22.567 ( 0.131 1.928 2.220) 2.943 23.185 ( 3.813 0.260 -2.527) 4.582 24.089 ( 12.830 3.327 5.513) 14.355 24.414 ( -9.002 -3.796 -3.648) 10.429 25.131 ( -0.554 2.331 2.746) 3.645 25.411 ( -3.364 -3.691 -1.555) 5.230 ======================= Grid point 36 (25/227) ======================= q-point: (-0.50 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -2.463 8.697 1.614) 9.181 2.035 ( -7.594 -4.032 -4.899) 9.896 2.444 ( -4.452 10.820 0.033) 11.700 3.036 ( -9.783 10.858 -10.722) 18.127 3.673 ( 11.863 5.703 -7.906) 15.354 3.836 ( 7.825 -2.081 9.440) 12.437 4.209 ( 1.848 1.533 -6.648) 7.068 4.472 ( -1.607 0.125 5.547) 5.776 4.672 ( -2.581 6.429 -2.251) 7.285 5.069 ( 4.567 -1.938 4.454) 6.667 5.208 ( 5.135 11.000 10.810) 16.255 5.459 ( 9.434 1.937 1.836) 9.805 5.991 ( 1.706 1.294 -1.711) 2.741 6.103 ( 2.037 -0.461 5.046) 5.461 6.403 ( -11.002 2.578 -4.079) 12.014 6.407 ( 0.220 14.371 -9.313) 17.127 6.626 ( -1.811 7.261 7.042) 10.276 6.806 ( 2.536 -4.421 -3.825) 6.372 6.960 ( 3.438 -13.065 -2.830) 13.803 7.322 ( -1.547 6.489 -4.281) 7.926 7.408 ( -2.847 -11.474 0.969) 11.862 7.819 ( 10.156 -2.271 -0.077) 10.407 7.989 ( 0.097 -7.595 2.142) 7.892 8.235 ( -4.278 -2.114 3.293) 5.798 8.542 ( -0.723 -9.879 8.197) 12.857 9.557 ( -9.093 3.283 -11.030) 14.667 9.951 ( 3.745 3.153 -1.902) 5.252 10.657 ( 8.337 4.802 3.585) 10.268 11.846 ( 2.692 -1.316 -3.575) 4.664 12.189 ( 6.697 -0.637 2.337) 7.122 12.694 ( -12.823 -0.905 -3.503) 13.324 12.853 ( -6.015 -4.798 3.287) 8.367 13.964 ( 4.657 8.535 3.702) 10.403 14.441 ( 7.330 -5.550 1.415) 9.303 14.510 ( 0.061 -1.179 3.269) 3.476 14.667 ( 2.134 -1.298 -5.470) 6.013 15.527 ( 1.040 11.366 4.253) 12.180 15.941 ( -7.496 -6.065 -1.682) 9.788 19.984 ( -4.038 -0.525 0.958) 4.183 21.300 ( -2.821 5.589 -3.698) 7.272 21.457 ( 1.922 0.774 -2.184) 3.011 21.992 ( 4.691 1.845 3.272) 6.009 22.493 ( -2.839 7.290 -1.617) 7.988 23.227 ( 4.776 0.342 -2.803) 5.548 24.242 ( -2.042 -1.732 1.323) 2.986 24.397 ( 8.877 -3.135 2.732) 9.803 25.111 ( 0.524 3.273 0.880) 3.429 25.388 ( -5.791 -5.328 -0.987) 7.931 ======================= Grid point 37 (26/227) ======================= q-point: (-0.40 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -2.156 12.426 1.306) 12.679 1.835 ( -13.857 0.284 -9.705) 16.920 2.254 ( -2.770 9.449 0.291) 9.851 2.785 ( -1.726 11.428 -3.684) 12.130 3.624 ( 2.974 12.627 -6.694) 14.597 3.917 ( 5.009 11.200 4.399) 13.034 4.126 ( -4.644 2.993 -6.624) 8.625 4.583 ( -2.594 -8.120 4.779) 9.772 4.692 ( 17.971 5.448 5.054) 19.447 5.146 ( -1.629 11.892 2.132) 12.191 5.184 ( 7.230 5.171 6.951) 11.284 5.587 ( 7.876 7.567 7.266) 13.119 5.842 ( -9.202 7.702 -6.751) 13.768 6.046 ( -7.374 2.081 3.634) 8.480 6.154 ( -9.327 5.605 -4.201) 11.664 6.335 ( 5.170 0.785 -9.784) 11.094 6.480 ( -5.647 7.476 2.699) 9.750 6.924 ( 4.170 -3.857 -0.478) 5.700 7.108 ( 3.704 -3.674 2.427) 5.754 7.300 ( 3.017 -8.519 -5.458) 10.558 7.569 ( -0.639 -18.051 1.024) 18.091 7.980 ( 5.490 -5.495 0.484) 7.783 8.092 ( 0.626 -7.958 0.960) 8.040 8.206 ( -4.578 -2.041 0.373) 5.027 8.723 ( 4.574 -3.073 12.544) 13.701 9.293 ( -9.184 3.863 -13.535) 16.807 9.955 ( 2.854 4.598 0.531) 5.438 10.695 ( 3.836 7.357 0.758) 8.331 11.937 ( 6.504 -6.809 -1.234) 9.497 12.313 ( 6.257 -2.974 -1.239) 7.037 12.489 ( -13.426 -1.743 -1.347) 13.605 12.837 ( -4.430 -1.092 2.994) 5.458 13.922 ( 2.221 11.102 1.533) 11.425 14.547 ( 0.612 -1.638 2.296) 2.886 14.584 ( 3.739 -2.450 -1.266) 4.646 14.701 ( 1.340 -4.855 -0.670) 5.081 15.498 ( 7.184 8.165 3.576) 11.448 15.834 ( -11.135 -1.526 -1.892) 11.397 19.943 ( -2.629 -0.676 0.081) 2.715 21.176 ( -2.239 5.977 -2.030) 6.698 21.461 ( 1.413 1.244 -0.861) 2.071 22.045 ( 4.497 5.514 5.335) 8.893 22.311 ( -4.547 11.061 -4.724) 12.858 23.275 ( 3.914 0.230 -1.676) 4.264 24.200 ( -5.835 -6.335 -1.848) 8.809 24.640 ( 11.970 -1.465 4.723) 12.951 25.104 ( 3.373 1.969 -0.132) 3.908 25.332 ( -8.934 -4.513 -0.683) 10.032 ======================= Grid point 38 (27/227) ======================= q-point: (-0.30 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -0.000 18.949 0.000) 18.949 1.632 ( -0.000 6.053 0.000) 6.053 2.158 ( -0.000 4.778 0.000) 4.778 2.642 ( -0.000 10.827 0.000) 10.827 3.443 ( -0.000 16.521 0.000) 16.521 3.796 ( -0.000 28.133 0.000) 28.133 3.977 ( -0.000 3.346 0.000) 3.346 4.622 ( 0.000 -1.293 -0.000) 1.293 4.844 ( -0.000 21.145 0.000) 21.145 5.087 ( 0.000 -15.031 -0.000) 15.031 5.155 ( -0.000 20.479 0.000) 20.479 5.431 ( -0.000 9.630 0.000) 9.630 5.794 ( 0.000 -3.346 -0.000) 3.346 5.979 ( 0.000 -1.323 -0.000) 1.323 6.023 ( 0.000 -1.036 -0.000) 1.036 6.317 ( -0.000 8.815 0.000) 8.815 6.393 ( 0.000 -3.574 -0.000) 3.574 6.973 ( 0.000 -1.651 -0.000) 1.651 7.273 ( 0.000 -8.470 -0.000) 8.470 7.354 ( 0.000 -6.478 -0.000) 6.478 7.795 ( 0.000 -20.213 -0.000) 20.213 8.107 ( 0.000 -5.763 -0.000) 5.763 8.161 ( -0.000 0.190 0.000) 0.190 8.184 ( 0.000 -5.747 -0.000) 5.747 8.845 ( -0.000 2.145 0.000) 2.145 9.089 ( -0.000 3.477 0.000) 3.477 9.926 ( -0.000 5.321 0.000) 5.321 10.636 ( -0.000 7.042 0.000) 7.042 12.129 ( 0.000 -11.181 -0.000) 11.181 12.332 ( -0.000 1.163 0.000) 1.163 12.431 ( 0.000 -6.029 -0.000) 6.029 12.800 ( -0.000 1.464 0.000) 1.464 13.811 ( -0.000 12.159 0.000) 12.159 14.583 ( 0.000 -2.278 -0.000) 2.278 14.616 ( 0.000 -1.174 -0.000) 1.174 14.774 ( 0.000 -5.106 -0.000) 5.106 15.606 ( -0.000 4.046 0.000) 4.046 15.629 ( -0.000 3.182 0.000) 3.182 19.930 ( 0.000 -0.833 -0.000) 0.833 21.082 ( -0.000 6.062 0.000) 6.062 21.452 ( -0.000 2.168 0.000) 2.168 22.033 ( -0.000 18.606 0.000) 18.606 22.116 ( -0.000 0.756 0.000) 0.756 23.301 ( 0.000 -0.148 -0.000) 0.148 24.219 ( 0.000 -6.701 -0.000) 6.701 24.764 ( 0.000 -0.702 -0.000) 0.702 25.197 ( -0.000 0.775 0.000) 0.775 25.225 ( 0.000 -4.172 -0.000) 4.172 ======================= Grid point 45 (28/227) ======================= q-point: ( 0.40 -0.60 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -2.994 0.000 -1.480) 3.340 1.969 ( -7.393 0.000 -3.095) 8.015 2.607 ( -1.328 0.000 1.944) 2.354 3.169 ( -15.395 0.000 -13.835) 20.698 3.632 ( 9.670 -0.000 9.495) 13.552 3.855 ( 17.140 -0.000 1.852) 17.239 4.212 ( -3.392 0.000 -8.139) 8.818 4.505 ( -4.130 0.000 0.176) 4.134 4.732 ( -8.075 0.000 -2.829) 8.557 5.024 ( 7.167 -0.000 2.308) 7.529 5.382 ( 6.162 -0.000 13.087) 14.465 5.482 ( 21.904 -0.000 2.829) 22.086 6.006 ( 3.553 -0.000 -0.058) 3.553 6.120 ( 6.229 -0.000 0.273) 6.235 6.449 ( -1.705 0.000 5.835) 6.079 6.580 ( -13.919 0.000 -7.561) 15.840 6.674 ( 0.434 -0.000 -9.825) 9.835 6.730 ( 4.800 -0.000 4.726) 6.736 6.915 ( -3.363 0.000 1.631) 3.738 7.107 ( 0.667 -0.000 -4.821) 4.867 7.559 ( -7.107 0.000 -3.734) 8.028 7.736 ( 7.592 -0.000 -0.238) 7.595 7.881 ( -1.433 0.000 -1.692) 2.217 8.219 ( -8.101 0.000 3.509) 8.828 8.401 ( 7.374 -0.000 14.002) 15.825 9.594 ( -9.580 0.000 -11.175) 14.719 9.988 ( 4.213 -0.000 -2.505) 4.901 10.717 ( 9.538 -0.000 4.319) 10.470 11.829 ( -0.671 0.000 -4.121) 4.175 12.180 ( 4.990 -0.000 2.151) 5.434 12.695 ( -14.466 0.000 -5.603) 15.513 12.788 ( -0.981 0.000 5.882) 5.963 14.084 ( 5.596 -0.000 5.262) 7.681 14.350 ( 6.894 -0.000 2.401) 7.300 14.499 ( -0.277 0.000 3.314) 3.326 14.654 ( 2.639 -0.000 -7.984) 8.409 15.728 ( -3.467 0.000 8.539) 9.216 15.800 ( -3.167 0.000 -6.356) 7.101 19.978 ( -4.144 0.000 1.270) 4.334 21.387 ( -3.249 0.000 -4.494) 5.546 21.444 ( 1.399 -0.000 -3.282) 3.568 22.009 ( 6.529 -0.000 3.525) 7.419 22.584 ( -0.886 0.000 0.908) 1.268 23.232 ( 4.839 -0.000 -3.101) 5.747 24.218 ( -10.068 0.000 -3.131) 10.544 24.363 ( 14.766 -0.000 7.165) 16.412 25.166 ( 0.347 -0.000 2.575) 2.598 25.307 ( -5.346 0.000 -3.113) 6.187 ======================= Grid point 47 (29/227) ======================= q-point: (-0.50 0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -9.165 0.853 -5.751) 10.854 1.838 ( -3.882 1.018 -2.584) 4.774 2.502 ( -4.173 8.750 0.447) 9.704 2.968 ( -2.408 4.480 -3.969) 6.452 3.797 ( 4.727 1.894 2.075) 5.499 4.035 ( 6.620 2.893 3.043) 7.839 4.128 ( -1.495 -2.598 -6.612) 7.259 4.449 ( -2.479 -0.650 1.372) 2.907 4.659 ( -1.437 -4.733 -0.379) 4.960 5.150 ( 6.271 0.692 2.334) 6.727 5.528 ( 8.571 8.523 11.862) 16.935 5.789 ( 20.209 7.355 1.949) 21.594 6.023 ( -0.571 4.361 0.300) 4.408 6.130 ( -6.182 7.682 -1.515) 9.976 6.226 ( -8.707 0.504 -3.184) 9.285 6.410 ( -9.161 3.167 -4.758) 10.798 6.742 ( -0.901 11.992 5.476) 13.214 6.776 ( 6.714 -12.235 -1.804) 14.072 6.904 ( 5.875 -2.229 -4.107) 7.507 7.202 ( 1.216 -13.050 -2.949) 13.434 7.342 ( -8.666 6.277 -1.414) 10.793 7.829 ( -1.277 -9.274 0.244) 9.365 7.882 ( -1.076 -5.715 -2.357) 6.275 8.175 ( -1.928 -0.607 2.101) 2.915 8.666 ( 10.613 -1.502 15.777) 19.073 9.351 ( -10.310 1.276 -13.307) 16.882 10.030 ( 3.392 1.790 -0.284) 3.846 10.841 ( 6.087 4.287 2.472) 7.845 11.801 ( -0.666 -3.987 -3.020) 5.046 12.262 ( 4.545 -1.309 -0.787) 4.795 12.472 ( -11.565 -0.170 -1.703) 11.691 12.825 ( 0.018 -0.135 3.658) 3.661 14.138 ( 3.124 6.994 2.851) 8.174 14.493 ( 4.337 -4.644 5.111) 8.154 14.519 ( 0.146 -0.671 1.988) 2.103 14.634 ( 1.481 -1.068 -8.122) 8.324 15.661 ( 0.720 6.252 1.314) 6.429 15.775 ( -5.535 -3.844 -0.103) 6.740 19.933 ( -2.609 -0.210 0.399) 2.648 21.297 ( -1.863 4.052 -2.506) 5.116 21.452 ( 0.690 -1.437 -1.752) 2.368 22.101 ( 3.587 0.850 2.677) 4.556 22.539 ( -1.035 6.515 -0.282) 6.602 23.281 ( 4.022 0.188 -2.096) 4.540 24.086 ( -6.927 -3.091 -1.781) 7.791 24.618 ( 12.049 -0.490 6.019) 13.478 25.154 ( -0.597 2.775 -0.730) 2.931 25.233 ( -5.467 -4.142 -1.266) 6.975 ======================= Grid point 48 (30/227) ======================= q-point: (-0.40 0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 -0.194 -0.000) 0.194 1.758 ( -0.000 6.841 0.000) 6.841 2.358 ( -0.000 11.489 0.000) 11.489 2.869 ( -0.000 8.349 0.000) 8.349 3.752 ( -0.000 10.055 0.000) 10.055 4.043 ( -0.000 2.047 0.000) 2.047 4.113 ( -0.000 3.930 0.000) 3.930 4.492 ( 0.000 -7.322 -0.000) 7.322 4.767 ( 0.000 -12.183 -0.000) 12.183 5.165 ( -0.000 6.283 0.000) 6.283 5.643 ( -0.000 7.279 0.000) 7.279 5.650 ( -0.000 23.935 0.000) 23.935 5.977 ( -0.000 1.255 0.000) 1.255 6.043 ( -0.000 20.294 0.000) 20.294 6.047 ( -0.000 2.683 0.000) 2.683 6.285 ( 0.000 -5.897 -0.000) 5.897 6.606 ( -0.000 15.182 0.000) 15.182 6.946 ( 0.000 -0.568 -0.000) 0.568 7.003 ( 0.000 -16.020 -0.000) 16.020 7.253 ( 0.000 -2.791 -0.000) 2.791 7.367 ( 0.000 -15.369 -0.000) 15.369 7.929 ( 0.000 -8.720 -0.000) 8.720 7.965 ( 0.000 -12.720 -0.000) 12.720 8.169 ( -0.000 0.414 0.000) 0.414 8.862 ( 0.000 -0.159 -0.000) 0.159 9.155 ( -0.000 2.133 0.000) 2.133 10.027 ( -0.000 3.419 0.000) 3.419 10.820 ( -0.000 8.138 0.000) 8.138 11.877 ( 0.000 -9.990 -0.000) 9.990 12.330 ( 0.000 -3.106 -0.000) 3.106 12.357 ( -0.000 0.815 0.000) 0.815 12.829 ( -0.000 1.140 0.000) 1.140 14.069 ( -0.000 10.448 0.000) 10.448 14.539 ( 0.000 -1.473 -0.000) 1.473 14.601 ( 0.000 -0.428 -0.000) 0.428 14.637 ( 0.000 -6.758 -0.000) 6.758 15.669 ( -0.000 1.762 0.000) 1.762 15.697 ( -0.000 2.474 0.000) 2.474 19.917 ( 0.000 -0.365 -0.000) 0.365 21.218 ( -0.000 5.667 0.000) 5.667 21.466 ( 0.000 -0.880 -0.000) 0.880 22.132 ( -0.000 0.646 0.000) 0.646 22.409 ( -0.000 13.582 0.000) 13.582 23.304 ( -0.000 0.261 0.000) 0.261 24.076 ( 0.000 -5.569 -0.000) 5.569 24.752 ( 0.000 -0.368 -0.000) 0.368 25.144 ( 0.000 -2.807 -0.000) 2.807 25.200 ( 0.000 -0.304 -0.000) 0.304 ======================= Grid point 58 (31/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.000 -0.000 -0.000) 0.000 1.827 ( 0.000 -0.000 -0.000) 0.000 2.518 ( 0.000 -0.000 -0.000) 0.000 2.975 ( 0.000 -0.000 -0.000) 0.000 3.866 ( 0.000 -0.000 -0.000) 0.000 4.044 ( 0.000 -0.000 -0.000) 0.000 4.133 ( 0.000 -0.000 -0.000) 0.000 4.432 ( 0.000 -0.000 -0.000) 0.000 4.597 ( 0.000 -0.000 -0.000) 0.000 5.227 ( 0.000 -0.000 -0.000) 0.000 5.722 ( 0.000 -0.000 -0.000) 0.000 6.007 ( 0.000 -0.000 -0.000) 0.000 6.063 ( -0.000 0.000 0.000) 0.000 6.115 ( -0.000 0.000 0.000) 0.000 6.170 ( 0.000 -0.000 -0.000) 0.000 6.268 ( 0.000 -0.000 -0.000) 0.000 6.746 ( 0.000 -0.000 -0.000) 0.000 6.840 ( 0.000 -0.000 -0.000) 0.000 6.943 ( 0.000 -0.000 -0.000) 0.000 7.184 ( 0.000 -0.000 -0.000) 0.000 7.222 ( 0.000 -0.000 -0.000) 0.000 7.727 ( 0.000 -0.000 -0.000) 0.000 7.839 ( 0.000 -0.000 -0.000) 0.000 8.175 ( 0.000 -0.000 -0.000) 0.000 8.857 ( 0.000 -0.000 -0.000) 0.000 9.179 ( 0.000 -0.000 -0.000) 0.000 10.067 ( 0.000 -0.000 -0.000) 0.000 10.928 ( 0.000 -0.000 -0.000) 0.000 11.750 ( 0.000 -0.000 -0.000) 0.000 12.295 ( 0.000 -0.000 -0.000) 0.000 12.366 ( 0.000 -0.000 -0.000) 0.000 12.844 ( 0.000 -0.000 -0.000) 0.000 14.217 ( 0.000 -0.000 -0.000) 0.000 14.523 ( 0.000 -0.000 -0.000) 0.000 14.529 ( 0.000 -0.000 -0.000) 0.000 14.596 ( 0.000 -0.000 -0.000) 0.000 15.688 ( 0.000 -0.000 -0.000) 0.000 15.726 ( 0.000 -0.000 -0.000) 0.000 19.913 ( 0.000 -0.000 -0.000) 0.000 21.298 ( 0.000 -0.000 -0.000) 0.000 21.441 ( 0.000 -0.000 -0.000) 0.000 22.140 ( 0.000 -0.000 -0.000) 0.000 22.574 ( 0.000 -0.000 -0.000) 0.000 23.308 ( 0.000 -0.000 -0.000) 0.000 24.005 ( 0.000 -0.000 -0.000) 0.000 24.748 ( 0.000 -0.000 -0.000) 0.000 25.111 ( 0.000 -0.000 -0.000) 0.000 25.195 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 105 (32/227) ======================= q-point: ( 0.00 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 13.943 -0.000 26.607) 30.039 0.742 ( 18.349 -0.000 38.052) 42.244 1.202 ( -10.409 0.000 61.275) 62.153 2.246 ( 1.478 -0.000 3.317) 3.631 2.632 ( 4.548 -0.000 10.856) 11.770 2.719 ( -23.576 0.000 0.508) 23.582 3.657 ( -1.942 0.000 -16.522) 16.636 4.131 ( -19.652 0.000 0.471) 19.658 4.165 ( 9.699 -0.000 5.865) 11.335 4.275 ( 0.572 -0.000 8.454) 8.474 5.390 ( 4.624 -0.000 -0.188) 4.628 5.544 ( 3.804 -0.000 -2.540) 4.574 6.024 ( 3.202 -0.000 0.290) 3.215 6.426 ( -4.396 0.000 -4.474) 6.272 6.521 ( 6.140 -0.000 -3.167) 6.909 6.556 ( -25.126 0.000 -7.531) 26.231 6.861 ( -7.789 0.000 -0.707) 7.821 6.965 ( -6.812 0.000 7.968) 10.483 7.291 ( 3.706 -0.000 -5.642) 6.750 7.514 ( -8.494 0.000 3.129) 9.053 7.850 ( 1.890 -0.000 -4.204) 4.609 7.990 ( -5.781 0.000 3.723) 6.876 8.061 ( 0.786 -0.000 -2.814) 2.921 8.639 ( 9.454 -0.000 0.608) 9.474 8.797 ( -4.655 0.000 8.868) 10.016 9.626 ( -2.676 0.000 -1.499) 3.067 10.133 ( 3.409 -0.000 -0.495) 3.445 10.194 ( 100.282 -0.000 -3.422) 100.340 12.407 ( 4.325 -0.000 -0.641) 4.373 12.586 ( -3.654 0.000 -1.832) 4.087 12.852 ( -31.492 0.000 1.891) 31.549 13.015 ( -0.036 0.000 1.983) 1.983 13.093 ( 0.814 -0.000 -1.865) 2.035 14.011 ( -0.376 0.000 -7.100) 7.110 14.682 ( 1.977 -0.000 0.981) 2.207 14.920 ( -2.923 0.000 -2.059) 3.576 15.012 ( 5.579 -0.000 1.193) 5.705 15.131 ( -3.054 0.000 -0.681) 3.129 20.116 ( -1.939 0.000 13.035) 13.178 20.871 ( 3.715 -0.000 1.963) 4.202 21.186 ( -4.940 0.000 -3.530) 6.072 21.410 ( -18.195 0.000 2.157) 18.323 21.777 ( -1.280 0.000 0.153) 1.289 23.232 ( -0.661 0.000 -10.215) 10.236 24.712 ( -2.828 0.000 0.285) 2.843 24.784 ( 9.344 -0.000 -1.559) 9.473 25.346 ( 20.889 -0.000 3.358) 21.157 25.431 ( -0.305 0.000 1.633) 1.661 ======================= Grid point 106 (33/227) ======================= q-point: ( 0.10 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 14.912 -18.226 23.757) 33.451 1.196 ( 2.087 -7.251 39.244) 39.963 1.866 ( 30.125 -14.577 42.380) 54.000 2.347 ( 5.593 -2.406 2.153) 6.458 2.468 ( -7.057 3.795 8.690) 11.820 2.937 ( 16.082 -7.873 17.348) 24.931 3.561 ( 3.166 -4.135 -17.050) 17.828 3.766 ( -26.144 -2.715 -6.674) 27.119 4.277 ( 1.943 2.628 8.523) 9.128 4.435 ( 4.599 -10.543 4.782) 12.457 5.406 ( 2.396 3.640 -0.243) 4.365 5.646 ( 10.670 1.990 -2.398) 11.116 6.067 ( 1.890 6.237 0.257) 6.522 6.233 ( -5.726 5.909 -4.707) 9.479 6.323 ( -7.972 -1.738 -4.642) 9.387 6.575 ( 10.334 7.179 -1.492) 12.671 6.673 ( -19.775 -6.626 -6.046) 21.715 6.850 ( -9.886 5.962 6.656) 13.326 7.314 ( -5.563 -10.629 -0.128) 11.997 7.519 ( 4.878 -0.070 1.130) 5.007 7.805 ( -4.221 2.607 -3.354) 5.989 7.924 ( -5.457 -0.947 2.987) 6.292 8.132 ( 4.488 -4.317 -2.282) 6.632 8.767 ( 0.101 3.540 7.002) 7.846 8.831 ( 7.330 -0.001 4.110) 8.403 9.568 ( -3.055 0.249 -1.660) 3.486 10.029 ( 5.494 22.429 4.582) 23.543 10.645 ( 5.452 7.334 -14.242) 16.922 12.164 ( -23.181 6.359 9.375) 25.801 12.443 ( -15.398 -3.690 -2.596) 16.045 12.813 ( 18.774 0.821 4.441) 19.310 12.992 ( 5.159 6.255 0.608) 8.131 13.230 ( 5.474 -7.471 -0.324) 9.268 14.108 ( -7.411 -23.282 -14.716) 28.523 14.684 ( -4.327 -2.697 1.878) 5.434 14.845 ( -3.385 0.878 -3.042) 4.635 15.049 ( 9.341 11.433 0.647) 14.778 15.480 ( 24.732 -13.119 -13.490) 31.077 20.173 ( -3.225 0.607 14.164) 14.539 21.006 ( 9.748 1.686 5.401) 11.271 21.119 ( 0.335 -2.281 -3.569) 4.249 21.366 ( 2.290 -2.755 2.092) 4.148 21.820 ( -1.327 -10.029 -2.568) 10.437 23.138 ( -1.285 -1.127 -9.770) 9.918 24.608 ( -7.613 3.148 -1.601) 8.393 24.848 ( 0.083 -2.347 1.838) 2.982 25.316 ( -4.859 14.989 6.478) 17.037 25.513 ( 4.322 -2.243 0.488) 4.893 ======================= Grid point 107 (34/227) ======================= q-point: ( 0.20 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.555 -0.936 36.693) 36.710 1.701 ( 11.135 -20.389 16.785) 28.661 2.374 ( 6.290 1.103 5.153) 8.206 2.395 ( 0.418 2.191 6.197) 6.587 2.909 ( 25.835 -20.923 27.270) 42.998 3.389 ( -2.867 -8.704 -8.916) 12.785 3.423 ( -0.083 -4.162 10.026) 10.856 3.664 ( 16.064 -9.196 -4.706) 19.098 4.345 ( 1.937 -0.057 8.620) 8.835 4.656 ( 5.908 -11.290 1.843) 12.875 5.407 ( 4.349 2.577 -3.203) 5.984 5.690 ( 3.971 8.214 -5.978) 10.908 5.866 ( -5.479 11.323 -5.640) 13.786 6.178 ( 3.646 4.400 -0.520) 5.738 6.196 ( -8.694 -3.160 -6.331) 11.210 6.357 ( -21.520 -3.698 -5.900) 22.618 6.644 ( -2.610 5.291 4.967) 7.713 6.744 ( 5.111 1.287 3.587) 6.376 7.345 ( -4.844 -5.499 4.269) 8.481 7.611 ( 3.018 -2.063 -4.259) 5.613 7.685 ( -5.035 0.873 0.820) 5.176 7.836 ( -8.513 0.175 2.544) 8.887 8.224 ( 3.419 -3.018 -2.313) 5.114 8.719 ( -5.345 7.131 1.839) 9.099 8.902 ( -0.134 -0.529 1.428) 1.528 9.560 ( 5.845 3.500 3.314) 7.576 9.918 ( 4.001 13.663 3.953) 14.775 10.490 ( -5.240 2.234 -10.536) 11.977 11.903 ( -15.109 1.065 5.733) 16.195 12.231 ( -14.397 -1.453 -0.682) 14.486 13.040 ( 7.913 2.875 0.830) 8.460 13.085 ( 14.935 2.173 2.561) 15.308 13.367 ( 2.898 -5.567 0.001) 6.276 14.131 ( -4.827 -15.800 -12.187) 20.529 14.653 ( -5.606 -2.849 1.201) 6.402 14.765 ( -2.985 0.810 -3.113) 4.388 15.060 ( 9.957 12.934 0.715) 16.338 15.828 ( 15.730 -11.048 -9.967) 21.653 20.201 ( -3.945 1.532 13.235) 13.895 21.065 ( 2.646 2.498 -0.737) 3.713 21.224 ( 8.411 0.909 -0.477) 8.473 21.555 ( 11.406 -8.837 5.727) 15.524 21.914 ( -0.655 -13.044 -2.822) 13.362 23.083 ( 1.200 -1.256 -10.649) 10.790 24.382 ( -13.301 6.249 -4.715) 15.433 24.876 ( -3.806 -4.010 3.254) 6.414 25.142 ( -1.343 14.198 8.031) 16.367 25.586 ( 1.569 -2.389 0.648) 2.931 ======================= Grid point 108 (35/227) ======================= q-point: ( 0.30 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -3.099 2.529 29.998) 30.263 2.094 ( 3.864 -13.033 10.142) 16.960 2.382 ( -2.364 0.574 3.134) 3.968 2.530 ( 7.254 -1.817 5.253) 9.139 3.088 ( -12.043 -5.873 -1.609) 13.495 3.601 ( 7.252 -6.703 -7.816) 12.595 3.754 ( 19.158 -11.903 17.592) 28.604 4.109 ( 19.851 -9.090 7.952) 23.236 4.464 ( 5.754 -0.307 9.877) 11.435 4.927 ( 13.385 -9.769 2.097) 16.703 5.423 ( 3.912 -0.179 -7.807) 8.734 5.516 ( -0.659 8.616 -5.974) 10.505 5.712 ( 0.859 9.406 -1.959) 9.646 5.950 ( -17.341 -3.646 -10.507) 20.601 6.120 ( -13.157 -3.016 2.188) 13.675 6.178 ( -0.732 3.642 -4.986) 6.218 6.601 ( -0.932 1.287 9.434) 9.566 6.873 ( 6.383 -1.972 -0.585) 6.706 7.342 ( -5.206 -0.667 5.334) 7.483 7.519 ( -4.714 5.132 -6.479) 9.515 7.617 ( -7.336 0.759 6.840) 10.059 7.813 ( -0.503 -1.211 1.794) 2.222 8.254 ( -0.916 -2.382 -3.640) 4.445 8.466 ( -10.372 8.445 -3.433) 13.808 8.938 ( -0.462 -3.275 2.947) 4.430 9.681 ( 10.211 3.277 3.978) 11.438 9.896 ( 4.326 4.932 1.035) 6.641 10.300 ( -7.309 2.174 -10.855) 13.266 11.744 ( -9.563 0.314 2.752) 9.956 12.058 ( -9.477 0.893 1.083) 9.580 13.145 ( 6.327 -2.502 -0.467) 6.820 13.253 ( 10.504 5.099 3.119) 12.085 13.435 ( -0.748 -3.707 -0.011) 3.782 14.172 ( -0.724 -12.247 -9.246) 15.362 14.595 ( -4.912 -0.582 -0.432) 4.965 14.709 ( -2.380 -0.674 -0.983) 2.662 15.065 ( 8.201 11.468 1.300) 14.159 16.072 ( 10.161 -8.265 -6.129) 14.461 20.207 ( -4.131 2.058 11.637) 12.519 21.075 ( 2.423 1.569 -0.409) 2.915 21.300 ( 4.931 -0.348 -2.979) 5.772 21.867 ( 11.077 -4.245 2.081) 12.043 22.099 ( 5.497 -16.139 5.190) 17.822 23.048 ( 2.676 -0.914 -11.997) 12.326 24.026 ( -16.104 9.724 -6.418) 19.876 24.866 ( -5.782 -2.514 4.783) 7.914 25.077 ( 2.410 7.881 4.559) 9.418 25.623 ( -0.202 -1.558 1.073) 1.903 ======================= Grid point 109 (36/227) ======================= q-point: ( 0.40 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -5.523 3.165 24.428) 25.243 2.294 ( 1.887 -5.604 8.829) 10.626 2.332 ( -4.743 0.668 -0.287) 4.798 2.645 ( -1.077 -2.442 4.899) 5.579 3.043 ( -0.939 -3.536 -2.502) 4.432 3.697 ( 5.492 -3.807 -8.538) 10.842 4.019 ( 0.591 1.836 6.969) 7.231 4.424 ( 6.134 -0.913 3.150) 6.956 4.658 ( 7.428 -2.485 4.809) 9.191 5.235 ( 17.170 -5.989 2.152) 18.311 5.399 ( 4.469 3.532 -7.463) 9.388 5.572 ( -5.267 0.924 -3.375) 6.323 5.614 ( 4.670 -6.601 5.220) 9.625 5.759 ( -6.087 -4.210 -3.459) 8.169 5.946 ( -9.427 3.547 -3.883) 10.794 6.090 ( -1.659 2.899 3.189) 4.618 6.689 ( 4.979 1.011 7.282) 8.880 6.960 ( 1.856 -5.802 -2.697) 6.662 7.240 ( -12.201 -0.806 -1.750) 12.353 7.347 ( -4.257 6.980 3.446) 8.873 7.622 ( 1.712 1.932 8.284) 8.677 7.711 ( -8.445 6.848 -2.487) 11.153 8.221 ( -3.194 -7.874 -6.013) 10.409 8.335 ( -0.436 2.906 2.874) 4.110 8.976 ( -0.796 -1.831 1.937) 2.782 9.795 ( 4.279 -0.507 -0.928) 4.407 9.947 ( 8.759 3.295 0.373) 9.366 10.080 ( -8.433 2.524 -10.928) 14.032 11.652 ( -4.160 0.934 2.165) 4.782 11.941 ( -4.609 2.140 0.059) 5.081 13.260 ( 2.076 -6.171 -0.548) 6.534 13.337 ( 7.599 5.835 2.073) 9.802 13.433 ( -2.826 -0.673 0.636) 2.974 14.251 ( 2.248 -9.356 -7.035) 11.920 14.527 ( -2.755 1.726 -0.355) 3.270 14.692 ( -1.839 -1.853 0.821) 2.737 15.063 ( 5.372 8.557 1.672) 10.241 16.228 ( 5.661 -5.028 -4.102) 8.610 20.194 ( -4.099 2.386 9.898) 10.976 21.092 ( 1.655 0.846 0.015) 1.859 21.352 ( 2.831 -2.042 -1.886) 3.968 21.996 ( 3.376 -3.874 -3.250) 6.080 22.425 ( 7.814 -8.025 7.095) 13.259 23.016 ( 3.732 -0.461 -13.331) 13.851 23.673 ( -10.151 7.504 -3.169) 13.015 24.837 ( -5.436 -1.768 4.294) 7.149 25.066 ( 1.618 4.263 1.502) 4.801 25.638 ( -0.702 -0.836 2.035) 2.309 ======================= Grid point 110 (37/227) ======================= q-point: (-0.50 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -8.290 1.796 23.316) 24.811 2.235 ( -3.951 3.259 -1.739) 5.409 2.417 ( 0.003 -2.214 9.584) 9.837 2.630 ( -5.405 -0.482 1.351) 5.592 3.019 ( -0.284 4.467 -4.103) 6.072 3.706 ( -0.316 -1.495 -11.410) 11.512 3.962 ( -2.145 7.695 -0.039) 7.989 4.354 ( -5.596 4.162 -5.548) 8.912 4.811 ( 3.246 -0.948 7.822) 8.522 5.366 ( -13.812 -2.445 -5.202) 14.960 5.389 ( 5.746 8.743 -8.826) 13.688 5.569 ( -2.803 -15.581 1.790) 15.932 5.594 ( -7.129 -0.390 -3.322) 7.875 5.794 ( 14.646 -1.102 4.159) 15.265 5.992 ( 10.063 3.113 10.717) 15.027 6.075 ( 0.664 6.452 5.240) 8.338 6.834 ( 6.765 -2.788 6.725) 9.938 6.975 ( -5.330 0.931 -1.052) 5.512 7.130 ( -0.693 -7.000 -4.560) 8.383 7.238 ( -7.373 4.019 5.793) 10.202 7.503 ( -6.039 1.346 -3.745) 7.233 7.721 ( 4.524 -1.259 6.422) 7.956 8.257 ( -0.480 -6.356 -1.570) 6.565 8.345 ( 1.860 1.623 3.052) 3.925 8.982 ( -1.562 -0.459 1.204) 2.025 9.768 ( -3.969 2.544 -7.923) 9.220 9.876 ( -5.925 -0.526 -8.414) 10.304 10.082 ( 11.577 0.695 -0.997) 11.640 11.625 ( 0.227 1.820 2.093) 2.783 11.885 ( 0.864 1.541 -0.795) 1.938 13.297 ( -4.064 -3.757 -1.149) 5.653 13.371 ( -4.084 -1.080 -0.474) 4.251 13.420 ( 6.609 4.956 3.254) 8.879 14.337 ( 3.531 -5.358 -5.840) 8.677 14.482 ( 0.170 2.633 1.013) 2.827 14.706 ( -0.699 -2.188 1.950) 3.013 15.055 ( 2.184 4.868 1.639) 5.582 16.294 ( 1.433 -1.860 -3.154) 3.932 20.171 ( -3.941 2.413 8.431) 9.614 21.100 ( 0.305 0.453 0.088) 0.553 21.405 ( 0.617 -3.386 0.640) 3.501 22.029 ( -0.637 -2.312 -3.852) 4.537 22.453 ( -5.804 7.429 -4.085) 10.274 22.983 ( 4.698 0.472 -14.270) 15.031 23.646 ( 7.446 -3.799 7.789) 11.426 24.805 ( -5.389 -2.752 2.195) 6.437 25.038 ( -0.009 3.710 -0.362) 3.727 25.654 ( -0.278 -0.198 3.091) 3.109 ======================= Grid point 111 (38/227) ======================= q-point: (-0.40 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -15.154 1.914 25.211) 29.477 2.112 ( -1.986 10.861 -1.229) 11.109 2.448 ( -7.320 -1.173 8.308) 11.134 2.530 ( -7.291 -0.160 -5.781) 9.306 2.893 ( 0.867 10.228 -3.113) 10.726 3.535 ( -7.701 7.076 -16.207) 19.289 3.794 ( -5.594 5.757 -2.829) 8.511 4.251 ( -1.557 1.539 -1.296) 2.544 4.685 ( -17.602 13.995 4.750) 22.984 5.068 ( -10.737 5.412 -5.909) 13.397 5.432 ( 5.577 -7.403 -1.053) 9.328 5.563 ( 0.444 -7.017 -4.856) 8.545 5.732 ( 5.084 -4.324 6.141) 9.069 5.891 ( -3.820 8.185 -2.102) 9.274 6.100 ( 16.531 0.952 6.807) 17.903 6.278 ( 10.230 -1.689 12.977) 16.610 6.780 ( -12.987 5.606 6.572) 15.598 6.974 ( -2.990 -2.469 -4.475) 5.921 7.185 ( 5.136 -0.489 3.146) 6.043 7.196 ( -3.240 -9.318 -2.738) 10.238 7.526 ( 7.187 -4.372 1.410) 8.529 7.838 ( 3.386 0.397 4.866) 5.942 8.317 ( -0.650 -5.083 2.077) 5.530 8.403 ( 4.166 -3.225 0.485) 5.291 8.957 ( -2.238 1.323 0.994) 2.783 9.554 ( -8.857 2.227 -12.755) 15.687 9.783 ( -2.612 0.135 -5.796) 6.359 10.224 ( 10.335 0.421 -5.610) 11.767 11.644 ( 3.775 1.283 1.482) 4.254 11.937 ( 7.140 0.179 1.283) 7.257 13.220 ( -10.115 -4.606 -2.759) 11.452 13.305 ( -1.255 6.081 1.623) 6.418 13.478 ( 1.690 0.366 1.841) 2.526 14.374 ( 3.579 2.489 -3.077) 5.336 14.503 ( 3.740 -0.013 0.149) 3.743 14.747 ( 0.938 -2.040 2.640) 3.466 15.043 ( -0.713 0.968 1.194) 1.695 16.274 ( -2.341 0.274 -2.727) 3.604 20.142 ( -3.844 2.222 7.609) 8.810 21.092 ( -1.002 -0.007 -0.061) 1.004 21.450 ( -2.887 -4.792 3.327) 6.509 21.930 ( -9.546 3.633 -6.037) 11.864 22.210 ( -2.368 10.714 -4.732) 11.950 22.951 ( 5.963 1.611 -14.513) 15.772 23.961 ( 14.058 -7.631 10.570) 19.172 24.769 ( -5.779 -5.052 -1.456) 7.812 24.982 ( -0.859 4.318 -0.387) 4.420 25.671 ( -0.186 1.002 3.436) 3.584 ======================= Grid point 112 (39/227) ======================= q-point: (-0.30 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -24.049 6.137 25.878) 35.856 1.840 ( -10.241 22.732 -1.126) 24.958 2.294 ( -15.614 -0.846 -10.575) 18.877 2.408 ( -7.852 -3.734 6.634) 10.936 2.797 ( -0.693 13.423 -0.936) 13.474 3.130 ( -9.294 14.853 -14.800) 22.935 3.693 ( -1.641 4.477 4.771) 6.745 4.127 ( -10.217 3.792 -6.439) 12.658 4.356 ( -6.875 11.110 11.807) 17.610 4.809 ( -7.593 11.343 -3.833) 14.178 5.484 ( -6.387 0.760 -6.411) 9.081 5.704 ( 5.307 -10.361 0.364) 11.646 5.796 ( 9.884 -1.983 3.183) 10.572 5.984 ( 6.208 -6.357 1.733) 9.053 6.290 ( 0.390 -2.725 0.868) 2.886 6.512 ( 12.425 2.865 11.462) 17.145 6.640 ( -2.072 1.308 7.796) 8.172 6.816 ( -13.800 -2.102 -2.585) 14.197 7.241 ( -2.736 -8.531 -1.132) 9.031 7.369 ( 10.916 -4.918 0.756) 11.996 7.718 ( 9.760 0.947 3.846) 10.533 7.848 ( 1.626 7.912 4.535) 9.263 8.348 ( -4.044 -2.263 3.021) 5.532 8.550 ( 3.587 -12.430 -4.901) 13.834 8.906 ( -2.434 2.525 1.204) 3.708 9.311 ( -9.681 -1.838 -16.337) 19.079 9.710 ( -0.639 2.368 -3.447) 4.231 10.274 ( 7.811 4.034 -12.394) 15.196 11.762 ( 9.171 -2.228 5.117) 10.736 12.092 ( 10.912 -0.842 2.204) 11.164 13.083 ( -11.902 -4.042 -2.982) 12.918 13.211 ( -2.950 7.104 1.249) 7.793 13.476 ( -3.000 0.474 1.384) 3.338 14.370 ( 6.816 8.444 -1.701) 10.984 14.567 ( 4.167 -0.517 -0.338) 4.213 14.810 ( 2.631 -0.979 2.424) 3.709 15.030 ( -2.684 -2.208 0.425) 3.502 16.190 ( -5.499 0.229 -3.254) 6.394 20.113 ( -3.818 2.037 7.596) 8.742 21.068 ( -2.719 -0.705 -0.862) 2.938 21.436 ( -10.741 -3.868 2.119) 11.611 21.678 ( -5.201 8.119 -0.845) 9.679 22.100 ( 1.110 5.722 -2.720) 6.433 22.926 ( 7.717 3.834 -13.145) 15.717 24.315 ( 13.305 -6.222 8.340) 16.891 24.724 ( -5.983 -8.078 -7.920) 12.797 24.925 ( -0.659 4.561 2.918) 5.455 25.663 ( -1.111 3.102 2.706) 4.264 ======================= Grid point 113 (40/227) ======================= q-point: (-0.20 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -20.815 22.677 4.015) 31.042 1.376 ( -31.007 9.902 22.185) 39.391 1.811 ( -24.611 26.472 -7.469) 36.908 2.425 ( -7.311 -7.580 10.996) 15.226 2.542 ( -7.972 7.631 1.364) 11.119 2.827 ( -7.944 9.584 -4.487) 13.232 3.747 ( 13.082 8.082 8.171) 17.413 3.945 ( -6.512 -0.388 -3.538) 7.421 4.288 ( -2.235 6.507 9.717) 11.906 4.540 ( -6.414 13.904 -0.653) 15.326 5.355 ( -3.388 -0.531 -5.283) 6.299 5.794 ( -7.593 -3.105 -1.424) 8.326 5.954 ( 1.570 -8.321 -4.695) 9.682 6.171 ( 12.076 -3.303 4.245) 13.220 6.355 ( 1.587 -9.270 3.445) 10.016 6.549 ( -10.449 -7.238 -7.235) 14.625 6.735 ( 2.573 -4.233 7.064) 8.628 6.863 ( 14.131 4.269 13.850) 20.242 7.302 ( 0.079 -4.889 6.127) 7.840 7.558 ( 5.887 -1.405 -2.670) 6.615 7.712 ( 1.927 7.701 1.621) 8.102 7.932 ( 10.731 6.282 8.983) 15.340 8.273 ( -7.736 1.011 -0.251) 7.806 8.651 ( -1.439 -9.245 -7.249) 11.835 8.834 ( -5.284 1.869 -0.383) 5.618 9.077 ( -10.860 -6.444 -25.152) 28.144 9.676 ( 1.792 3.726 1.021) 4.259 10.217 ( 8.229 8.386 -15.144) 19.167 12.036 ( 13.006 -6.976 10.566) 18.152 12.287 ( 11.153 -2.131 0.392) 11.362 12.925 ( -12.206 -3.285 -2.015) 12.800 13.086 ( -5.318 4.774 1.216) 7.250 13.395 ( -6.730 2.276 0.695) 7.138 14.363 ( 12.077 15.118 -3.297) 19.628 14.625 ( 3.170 -0.193 -0.194) 3.182 14.875 ( 4.204 0.968 1.666) 4.624 15.016 ( -3.474 -3.350 -0.616) 4.865 16.060 ( -9.383 -2.703 -8.729) 13.097 20.090 ( -3.465 2.079 8.378) 9.301 20.994 ( -6.398 0.145 -2.638) 6.922 21.291 ( -5.703 2.476 0.189) 6.221 21.624 ( -5.573 -3.411 7.370) 9.850 22.057 ( 1.830 2.294 -3.159) 4.312 22.921 ( 11.125 8.718 -6.596) 15.597 24.571 ( 5.198 -3.473 4.764) 7.860 24.663 ( -1.661 -7.649 -15.693) 17.536 24.925 ( 0.900 1.705 8.664) 8.876 25.598 ( -2.796 5.743 0.992) 6.464 ======================= Grid point 114 (41/227) ======================= q-point: (-0.10 0.00 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -14.384 27.400 10.164) 32.573 0.847 ( -29.067 30.363 2.648) 42.117 1.208 ( -27.666 15.844 47.609) 57.298 2.324 ( -10.820 2.806 1.621) 11.294 2.550 ( -2.009 -4.660 5.337) 7.364 2.757 ( 0.330 -8.290 14.822) 16.986 3.807 ( -5.230 1.834 -10.819) 12.155 3.957 ( 15.757 4.772 6.726) 17.785 4.264 ( -2.711 3.434 9.504) 10.462 4.341 ( -7.645 6.483 4.131) 10.842 5.317 ( 0.503 -1.174 -1.220) 1.767 5.619 ( -10.618 -1.242 -4.575) 11.628 6.006 ( 0.865 -2.786 -4.865) 5.672 6.389 ( 8.093 -3.471 1.358) 8.910 6.461 ( -3.547 -11.310 -6.739) 13.635 6.613 ( -1.030 -19.381 7.899) 20.954 6.897 ( 1.775 -6.554 7.918) 10.430 7.015 ( 1.528 0.124 -1.175) 1.931 7.420 ( -2.408 12.332 -5.723) 13.807 7.506 ( 12.590 4.220 10.845) 17.144 7.811 ( 6.605 -3.340 -0.089) 7.402 8.080 ( -0.052 -0.564 3.292) 3.340 8.183 ( 0.120 0.464 8.076) 8.090 8.588 ( -11.466 0.400 -18.814) 22.036 8.656 ( 8.481 3.403 3.469) 9.774 8.868 ( 0.275 6.432 9.609) 11.566 9.666 ( -0.181 2.415 0.653) 2.508 10.166 ( 11.419 11.876 -8.414) 18.499 12.377 ( 5.783 -4.558 4.669) 8.719 12.461 ( 10.782 -7.018 0.505) 12.875 12.820 ( -9.957 -11.214 5.816) 16.085 12.996 ( -4.658 -2.192 1.045) 5.253 13.245 ( -7.043 5.632 -0.220) 9.020 14.312 ( 18.754 30.666 -10.297) 37.392 14.658 ( 1.545 0.018 -0.760) 1.722 14.930 ( 4.386 2.853 0.465) 5.253 14.993 ( -2.133 -1.757 -1.397) 3.097 15.734 ( -28.952 -1.445 -29.231) 41.167 20.083 ( -2.556 2.169 9.916) 10.467 20.881 ( -3.924 1.218 -1.316) 4.314 21.235 ( -0.214 2.061 -0.149) 2.077 21.628 ( -14.758 -15.855 2.011) 21.753 21.991 ( -4.005 4.996 -15.239) 16.530 23.061 ( 21.870 7.816 12.458) 26.355 24.562 ( 0.550 -6.026 -6.584) 8.942 24.711 ( 4.318 0.411 -1.138) 4.484 25.031 ( 4.953 1.047 13.317) 14.247 25.478 ( -3.532 5.778 0.190) 6.775 ======================= Grid point 116 (42/227) ======================= q-point: ( 0.10 0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 22.184 -0.000 21.937) 31.199 1.461 ( 1.123 -0.000 40.826) 40.841 2.392 ( 2.505 -0.000 7.841) 8.231 2.424 ( 5.913 -0.000 0.515) 5.936 2.631 ( 28.805 -0.000 28.989) 40.867 3.286 ( 0.466 -0.000 -8.518) 8.531 3.401 ( 4.117 -0.000 19.280) 19.715 3.544 ( 12.237 -0.000 -11.125) 16.538 4.384 ( 3.271 -0.000 0.632) 3.332 4.469 ( 4.412 -0.000 10.928) 11.785 5.456 ( 2.838 -0.000 -1.236) 3.095 5.780 ( 6.751 -0.000 -4.157) 7.928 6.057 ( -11.531 0.000 -3.959) 12.192 6.109 ( -2.701 0.000 -6.435) 6.979 6.265 ( -23.101 0.000 -7.467) 24.278 6.265 ( 2.462 -0.000 -1.360) 2.812 6.738 ( -13.814 0.000 5.462) 14.854 6.802 ( 14.836 -0.000 -1.167) 14.882 7.162 ( -4.917 0.000 0.543) 4.947 7.617 ( 3.207 -0.000 1.622) 3.594 7.745 ( -3.752 0.000 -4.361) 5.753 7.810 ( -9.057 0.000 6.318) 11.043 8.172 ( 5.595 -0.000 -4.179) 6.983 8.779 ( -4.523 0.000 7.963) 9.158 8.901 ( -4.383 0.000 -3.515) 5.619 9.600 ( 7.482 -0.000 3.606) 8.306 10.177 ( -0.127 0.000 -0.152) 0.199 10.509 ( -10.031 0.000 -14.208) 17.392 11.951 ( -19.235 0.000 12.650) 23.022 12.165 ( -12.993 0.000 -3.405) 13.432 13.051 ( 1.664 -0.000 2.065) 2.652 13.145 ( 15.943 -0.000 4.737) 16.632 13.296 ( 7.949 -0.000 -3.202) 8.570 13.889 ( 0.957 -0.000 -9.115) 9.165 14.625 ( -4.087 0.000 1.936) 4.523 14.775 ( -3.161 0.000 -3.750) 4.905 15.298 ( 9.174 -0.000 5.039) 10.467 15.611 ( 19.281 -0.000 -16.935) 25.663 20.217 ( -4.123 0.000 13.261) 13.887 21.125 ( 6.911 -0.000 -7.118) 9.922 21.312 ( 17.810 -0.000 12.337) 21.666 21.371 ( 0.982 -0.000 -0.002) 0.982 21.727 ( -0.872 0.000 -1.958) 2.143 23.067 ( 1.529 -0.000 -10.106) 10.221 24.463 ( -11.402 0.000 -3.999) 12.083 24.822 ( -3.124 0.000 3.421) 4.633 25.428 ( -5.928 0.000 5.210) 7.893 25.456 ( 0.192 -0.000 1.214) 1.229 ======================= Grid point 117 (43/227) ======================= q-point: ( 0.20 0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 0.966 4.017 35.320) 35.561 1.901 ( 14.452 -4.538 17.666) 23.271 2.401 ( -0.832 0.856 1.658) 2.043 2.525 ( 7.143 0.525 3.294) 7.884 3.014 ( -7.512 0.242 -6.039) 9.641 3.283 ( 21.233 -14.459 2.205) 25.783 3.726 ( 19.198 4.989 10.356) 22.377 3.939 ( 22.773 -6.760 15.323) 28.268 4.469 ( 8.221 0.516 4.108) 9.204 4.662 ( 7.031 -8.523 5.720) 12.442 5.488 ( 5.842 3.033 -2.665) 7.101 5.688 ( -7.951 4.496 -6.008) 10.933 5.876 ( -19.693 -1.368 -9.883) 22.076 5.927 ( 0.681 7.258 -4.553) 8.595 6.043 ( -4.372 -3.706 -2.057) 6.089 6.246 ( -3.875 1.730 -2.882) 5.130 6.595 ( -8.446 -1.007 7.252) 11.178 6.942 ( 8.930 7.951 -0.478) 11.966 7.208 ( 0.407 -11.816 1.546) 11.924 7.554 ( -9.773 0.894 1.750) 9.968 7.635 ( -4.551 1.576 -3.153) 5.757 7.830 ( 2.775 1.299 6.481) 7.169 8.198 ( -0.265 -2.086 -6.706) 7.028 8.637 ( -14.700 6.256 -4.660) 16.642 8.809 ( -5.629 -6.495 4.161) 9.549 9.781 ( 12.335 3.235 4.953) 13.680 10.085 ( -0.627 10.060 -2.102) 10.296 10.298 ( -8.449 -3.026 -11.294) 14.425 11.788 ( -10.009 3.196 8.566) 13.556 12.024 ( -8.413 -3.445 0.871) 9.133 13.075 ( -0.591 -2.095 1.434) 2.607 13.342 ( 6.676 2.305 -0.810) 7.109 13.396 ( 8.610 -0.394 2.070) 8.864 13.909 ( 2.632 -8.298 -9.036) 12.547 14.584 ( -3.814 -0.274 2.358) 4.492 14.708 ( -2.197 0.132 -3.481) 4.118 15.371 ( 9.144 13.622 2.905) 16.662 15.827 ( 11.611 -11.978 -10.249) 19.579 20.236 ( -4.767 0.582 12.371) 13.270 21.175 ( 8.584 4.925 -4.666) 10.942 21.340 ( 2.730 4.519 -1.893) 5.608 21.724 ( 3.329 -14.819 4.958) 15.977 21.785 ( 15.104 -2.420 6.094) 16.466 23.032 ( 3.250 -0.369 -11.658) 12.108 24.216 ( -13.157 5.436 -5.759) 15.357 24.802 ( -4.477 -2.117 3.203) 5.898 25.291 ( -3.520 10.052 5.132) 11.822 25.526 ( -1.921 -6.922 1.282) 7.297 ======================= Grid point 118 (44/227) ======================= q-point: ( 0.30 0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -2.897 7.759 25.908) 27.200 2.196 ( 4.683 -4.481 13.301) 14.796 2.377 ( 0.602 3.373 0.017) 3.426 2.653 ( 7.304 3.316 4.468) 9.182 2.970 ( 3.851 -2.447 -1.027) 4.677 3.622 ( 14.737 -4.993 -11.323) 19.244 4.017 ( 8.200 -1.305 12.470) 14.982 4.360 ( 15.173 -3.078 6.585) 16.824 4.619 ( 4.266 0.238 8.641) 9.639 4.941 ( 6.390 -15.668 -1.306) 16.972 5.476 ( -1.165 4.950 -8.067) 9.536 5.547 ( -3.424 -1.013 -0.688) 3.636 5.650 ( 1.790 1.037 -1.314) 2.451 5.801 ( -0.417 6.422 -4.014) 7.585 6.010 ( -5.188 2.941 -2.196) 6.355 6.131 ( -1.720 0.747 4.530) 4.903 6.646 ( 2.177 -5.565 7.542) 9.622 6.921 ( 0.453 3.975 -3.347) 5.216 7.290 ( -5.678 3.768 2.790) 7.364 7.416 ( -4.725 -1.526 -2.128) 5.402 7.595 ( -1.016 -3.948 1.870) 4.485 7.866 ( -1.420 6.152 6.117) 8.791 8.051 ( -12.796 -4.903 -13.254) 19.064 8.394 ( -5.223 2.628 0.868) 5.911 8.850 ( -4.596 -8.339 3.341) 10.091 9.866 ( 3.699 6.587 -1.762) 7.757 10.040 ( 8.322 3.735 -0.272) 9.125 10.126 ( -7.716 0.658 -9.595) 12.331 11.702 ( -3.107 3.522 5.413) 7.167 11.972 ( -4.048 -0.203 2.636) 4.835 13.106 ( -2.430 -5.922 1.045) 6.485 13.343 ( -1.362 -1.363 -4.610) 4.997 13.532 ( 8.726 5.082 5.340) 11.423 14.010 ( 4.475 -10.259 -8.123) 13.829 14.550 ( -2.809 0.539 2.460) 3.773 14.666 ( -1.182 -0.658 -1.932) 2.359 15.343 ( 7.083 14.944 1.909) 16.648 16.042 ( 6.502 -11.343 -5.798) 14.302 20.234 ( -5.238 1.110 11.432) 12.624 21.197 ( 6.642 7.983 -0.587) 10.401 21.332 ( 3.090 0.399 -4.563) 5.526 21.836 ( 0.337 -10.891 -4.339) 11.728 22.223 ( 16.478 -7.352 13.707) 22.660 23.006 ( 4.356 -0.252 -13.357) 14.052 23.902 ( -10.327 10.330 -5.112) 15.475 24.776 ( -5.680 -3.034 2.253) 6.823 25.190 ( -1.998 6.620 4.040) 8.008 25.570 ( -2.274 -5.204 1.488) 5.870 ======================= Grid point 119 (45/227) ======================= q-point: ( 0.40 0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -5.512 6.790 19.856) 21.697 2.279 ( -3.000 -1.148 1.069) 3.386 2.426 ( 4.218 3.566 13.227) 14.334 2.700 ( 5.732 7.530 -0.223) 9.466 3.089 ( 8.730 2.113 0.211) 8.985 3.708 ( 5.496 1.663 -12.159) 13.447 4.149 ( 4.794 5.472 6.859) 9.999 4.420 ( -6.296 1.080 -9.027) 11.058 4.738 ( 2.416 -2.784 11.079) 11.676 5.166 ( -0.668 -17.904 0.996) 17.944 5.319 ( -6.361 -1.132 -7.045) 9.559 5.595 ( -0.729 6.217 -8.812) 10.809 5.652 ( -7.757 3.667 -6.165) 10.565 5.699 ( 15.237 -3.073 4.654) 16.225 6.054 ( 10.175 1.428 11.260) 15.243 6.222 ( 7.127 5.717 9.961) 13.516 6.832 ( 5.791 3.198 2.225) 6.980 6.866 ( -0.228 -10.001 1.367) 10.096 7.086 ( -9.056 5.319 -3.369) 11.029 7.344 ( -5.858 3.413 0.846) 6.833 7.596 ( -9.489 2.519 -5.667) 11.336 7.690 ( -3.433 0.533 5.902) 6.849 8.032 ( 0.348 -11.510 -3.672) 12.086 8.366 ( -1.005 0.136 3.695) 3.832 8.888 ( -4.850 -7.723 1.695) 9.276 9.817 ( 0.797 2.632 -5.173) 5.859 9.918 ( -7.976 3.157 -9.446) 12.760 10.151 ( 11.276 4.248 -0.428) 12.057 11.685 ( 1.267 3.452 3.514) 5.086 11.938 ( 0.184 2.748 1.324) 3.056 13.139 ( -5.544 -7.783 1.629) 9.694 13.289 ( -4.810 -3.852 -4.871) 7.854 13.612 ( 7.170 8.025 5.115) 11.915 14.147 ( 5.993 -9.618 -7.444) 13.559 14.526 ( -1.116 1.312 2.402) 2.956 14.662 ( -0.460 -1.772 0.130) 1.835 15.282 ( 4.458 13.628 2.263) 14.516 16.181 ( 2.060 -8.136 -4.158) 9.367 20.214 ( -5.645 1.386 10.273) 11.803 21.191 ( 4.403 7.418 0.400) 8.635 21.352 ( 2.215 -1.345 -3.356) 4.239 21.920 ( 0.527 -7.661 -4.443) 8.871 22.512 ( 3.845 -1.143 5.026) 6.430 22.984 ( 5.517 -0.131 -14.670) 15.673 23.707 ( 2.902 7.916 2.646) 8.837 24.730 ( -6.766 -3.666 0.288) 7.701 25.127 ( -1.656 4.320 2.669) 5.342 25.603 ( -2.067 -4.265 2.452) 5.336 ======================= Grid point 120 (46/227) ======================= q-point: (-0.50 0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -8.586 5.374 19.419) 21.902 2.253 ( -0.479 0.899 0.434) 1.108 2.481 ( -5.958 4.201 15.549) 17.173 2.658 ( 5.497 12.321 -7.214) 15.299 3.123 ( 5.290 9.809 -1.825) 11.293 3.604 ( -1.200 2.175 -13.872) 14.093 4.080 ( -1.543 15.223 -5.472) 16.250 4.301 ( 0.831 1.200 1.999) 2.475 4.869 ( -1.355 -2.471 10.550) 10.920 5.082 ( -18.066 3.418 -0.699) 18.400 5.316 ( -2.295 -7.139 -1.657) 7.680 5.469 ( -2.837 -3.699 -1.924) 5.043 5.605 ( 13.282 0.791 -11.150) 17.359 6.049 ( 14.307 -5.644 5.246) 16.250 6.160 ( -1.858 10.115 1.995) 10.476 6.285 ( 7.935 4.750 13.127) 16.057 6.826 ( -10.172 -2.196 6.189) 12.108 6.917 ( -0.115 -3.243 -3.139) 4.515 7.078 ( 3.846 0.046 -1.382) 4.087 7.190 ( -7.976 0.909 -1.144) 8.109 7.465 ( 5.551 0.438 0.920) 5.644 7.759 ( 0.703 -6.046 4.746) 7.719 8.149 ( 0.934 -9.366 -2.090) 9.642 8.381 ( -0.790 -0.574 3.085) 3.235 8.904 ( -4.725 -5.842 1.552) 7.672 9.652 ( -8.194 5.425 -11.371) 15.029 9.801 ( 0.353 1.255 -3.455) 3.692 10.264 ( 11.338 3.516 -3.174) 12.288 11.693 ( 2.980 2.935 0.250) 4.190 11.963 ( 6.023 2.212 1.802) 6.664 13.103 ( -10.251 -5.546 -0.437) 11.663 13.247 ( -6.023 -6.943 -1.499) 9.313 13.638 ( 5.490 9.705 4.030) 11.856 14.290 ( 7.095 -7.201 -7.292) 12.465 14.524 ( 0.715 1.198 2.337) 2.722 14.694 ( 0.567 -2.792 1.902) 3.425 15.206 ( 2.249 11.809 2.955) 12.380 16.224 ( -2.295 -4.785 -3.898) 6.585 20.180 ( -6.001 1.160 9.280) 11.112 21.168 ( 2.386 6.172 0.120) 6.618 21.374 ( -0.045 -2.040 -0.889) 2.226 21.942 ( -1.739 -2.173 -3.894) 4.787 22.431 ( -5.262 8.377 -4.295) 10.785 22.973 ( 6.984 0.347 -14.991) 16.542 23.870 ( 15.256 -0.135 10.849) 18.721 24.662 ( -7.586 -4.573 -2.534) 9.213 25.074 ( -1.655 3.836 1.998) 4.630 25.638 ( -2.225 -3.719 3.362) 5.484 ======================= Grid point 121 (47/227) ======================= q-point: (-0.40 0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -14.840 7.037 22.600) 27.937 2.245 ( -3.859 -1.729 -1.341) 4.436 2.375 ( -10.766 15.461 -6.000) 19.772 2.397 ( -6.580 10.194 6.479) 13.755 3.077 ( 7.401 11.624 -1.081) 13.823 3.472 ( -0.024 11.424 -10.472) 15.498 3.867 ( 2.997 12.301 -2.116) 12.836 4.265 ( -2.846 8.062 -2.439) 8.890 4.695 ( -9.286 17.762 10.021) 22.409 4.937 ( -7.501 -1.368 2.701) 8.089 5.392 ( 1.228 -7.768 -2.674) 8.307 5.488 ( 3.401 -6.237 -1.653) 7.293 5.805 ( 8.933 -8.273 -3.848) 12.769 5.946 ( -2.268 12.503 1.624) 12.810 6.246 ( 0.799 -1.640 0.816) 1.998 6.471 ( 1.098 -4.132 7.031) 8.229 6.679 ( -10.030 1.859 10.890) 14.921 6.895 ( -3.024 7.833 -2.889) 8.880 7.023 ( -2.597 -9.470 -2.880) 10.233 7.249 ( 9.748 -6.577 -2.697) 12.065 7.703 ( 13.975 -1.973 8.107) 16.276 7.886 ( 2.617 -5.829 3.102) 7.102 8.222 ( -1.094 -6.648 -2.648) 7.239 8.395 ( -1.468 -2.456 1.355) 3.166 8.901 ( -4.128 -2.987 2.383) 5.625 9.373 ( -9.303 5.527 -13.601) 17.381 9.778 ( 1.617 3.222 -0.602) 3.655 10.345 ( 9.317 3.555 -7.931) 12.742 11.742 ( 7.258 0.214 0.215) 7.265 12.081 ( 9.534 0.265 1.469) 9.651 12.980 ( -12.787 -4.920 -1.280) 13.761 13.212 ( -8.733 -5.631 0.708) 10.415 13.613 ( 3.078 10.192 2.621) 10.964 14.411 ( 7.579 -3.620 -7.005) 10.937 14.553 ( 2.132 0.060 1.702) 2.728 14.769 ( 2.499 -3.458 2.813) 5.111 15.131 ( 1.414 10.176 3.571) 10.877 16.168 ( -6.669 -2.375 -4.556) 8.419 20.141 ( -6.364 0.509 8.976) 11.016 21.122 ( -0.285 4.679 -0.710) 4.741 21.374 ( -2.637 -1.090 1.050) 3.040 21.858 ( -3.206 6.349 -1.229) 7.218 22.232 ( -3.016 7.065 -6.431) 10.018 22.983 ( 9.166 1.250 -13.789) 16.605 24.210 ( 16.309 -2.773 10.743) 19.726 24.577 ( -7.429 -5.552 -5.683) 10.877 25.023 ( -1.172 3.992 2.406) 4.807 25.657 ( -3.801 -3.014 3.498) 5.980 ======================= Grid point 122 (48/227) ======================= q-point: (-0.30 0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -22.029 11.136 27.921) 37.267 1.778 ( -24.066 16.504 -11.079) 31.214 2.255 ( 4.547 13.867 1.177) 14.640 2.315 ( -6.203 -1.560 10.334) 12.154 2.972 ( -2.519 22.532 2.501) 22.809 3.127 ( -5.920 21.338 -9.513) 24.102 3.906 ( 9.103 3.898 -0.849) 9.939 4.068 ( 0.409 12.793 3.227) 13.200 4.526 ( -0.591 14.728 9.404) 17.484 4.813 ( -5.154 8.207 0.502) 9.704 5.363 ( -4.266 0.360 -5.981) 7.355 5.667 ( 0.878 -8.037 2.686) 8.520 5.796 ( -3.054 -4.439 -5.552) 7.737 6.087 ( 11.687 -4.295 7.110) 14.339 6.184 ( -5.852 -4.507 -3.085) 8.005 6.379 ( -13.229 -5.819 -6.679) 15.921 6.648 ( -9.183 -3.032 7.750) 12.393 6.923 ( 9.417 1.713 3.662) 10.248 7.146 ( 6.821 -7.332 7.832) 12.713 7.464 ( 9.476 -5.977 -2.948) 11.585 7.930 ( 7.843 5.764 3.360) 10.297 7.987 ( 5.460 -1.983 6.850) 8.981 8.229 ( -3.648 -5.043 -4.733) 7.819 8.424 ( -1.877 -7.143 -0.782) 7.427 8.872 ( -4.399 1.215 1.515) 4.809 9.087 ( -7.882 4.327 -12.303) 15.238 9.769 ( 2.305 4.442 1.559) 5.242 10.347 ( 7.619 4.751 -12.533) 15.417 11.925 ( 12.795 -3.533 3.902) 13.836 12.237 ( 9.628 -1.765 -1.493) 9.902 12.832 ( -13.469 -4.785 -0.078) 14.294 13.112 ( -12.127 -2.816 1.061) 12.495 13.539 ( 0.478 10.125 1.527) 10.251 14.502 ( 7.944 -0.933 -6.520) 10.319 14.602 ( 2.300 -1.170 0.257) 2.594 14.875 ( 3.385 -3.612 2.172) 5.406 15.082 ( 4.752 10.116 3.781) 11.798 16.015 ( -11.872 -1.437 -6.968) 13.841 20.108 ( -6.472 -0.338 9.672) 11.642 21.038 ( -3.727 3.419 -1.718) 5.342 21.342 ( -1.463 2.538 2.295) 3.721 21.724 ( -2.995 10.061 2.487) 10.787 22.103 ( -1.126 2.347 -7.294) 7.745 23.035 ( 11.863 2.140 -10.150) 15.759 24.471 ( -4.051 -5.299 -0.541) 6.692 24.545 ( 11.247 -2.714 -0.608) 11.585 24.997 ( 1.072 3.593 4.503) 5.860 25.629 ( -7.200 -2.083 2.691) 7.963 ======================= Grid point 123 (49/227) ======================= q-point: (-0.20 0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -14.925 22.008 4.311) 26.938 1.256 ( -22.736 14.359 33.625) 43.055 2.106 ( 5.607 36.153 4.089) 36.813 2.327 ( -7.458 -0.467 14.426) 16.247 2.528 ( -11.775 17.180 0.812) 20.843 2.885 ( -1.037 13.405 2.698) 13.713 3.863 ( -2.322 2.667 -4.708) 5.889 4.146 ( 14.033 11.681 5.665) 19.117 4.435 ( 0.739 11.418 7.149) 13.491 4.593 ( -8.147 14.423 0.490) 16.572 5.286 ( -0.533 -0.782 -3.366) 3.497 5.546 ( -13.266 -5.327 -4.391) 14.954 5.933 ( 7.744 -4.247 -1.977) 9.051 6.174 ( -5.447 -10.340 -5.808) 13.051 6.240 ( -4.042 -8.597 -2.702) 9.877 6.380 ( 6.992 -8.004 4.936) 11.718 6.660 ( -7.128 -9.409 9.828) 15.360 6.998 ( 2.098 -1.465 -1.670) 3.056 7.467 ( 8.806 -3.017 14.475) 17.210 7.592 ( 4.964 -6.668 -2.840) 8.784 7.866 ( 0.223 13.209 -2.297) 13.409 8.151 ( 2.959 0.427 -1.321) 3.269 8.162 ( -2.260 -0.936 -0.418) 2.481 8.481 ( -1.052 -8.957 -4.388) 10.029 8.715 ( -5.140 4.509 -2.270) 7.204 8.994 ( 4.482 4.041 7.478) 9.609 9.745 ( -0.371 4.395 -0.362) 4.425 10.342 ( 11.439 4.433 -11.169) 16.591 12.229 ( 14.519 -6.036 7.582) 17.456 12.353 ( 4.141 -3.002 -5.461) 7.482 12.711 ( -9.152 -3.877 2.033) 10.145 12.940 ( -14.751 -2.232 0.607) 14.931 13.428 ( -0.976 10.324 1.061) 10.424 14.586 ( 8.974 0.058 -6.911) 11.327 14.640 ( 1.394 -1.895 -1.963) 3.064 14.932 ( -2.698 -2.957 0.790) 4.080 15.141 ( 17.897 11.922 1.434) 21.552 15.722 ( -21.027 0.615 -13.668) 25.086 20.096 ( -5.761 -1.052 11.352) 12.773 20.933 ( -3.035 3.347 -0.826) 4.593 21.324 ( 2.406 4.758 2.657) 5.957 21.550 ( -9.481 7.233 -0.171) 11.926 22.044 ( 1.462 1.424 -6.123) 6.454 23.150 ( 12.658 0.849 -5.652) 13.888 24.439 ( -1.420 -5.160 -2.284) 5.819 24.714 ( 6.620 -0.001 -1.191) 6.727 25.070 ( 7.847 2.120 7.716) 11.207 25.521 ( -11.741 -1.494 1.516) 11.932 ======================= Grid point 124 (50/227) ======================= q-point: (-0.10 0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 10.066 22.106 25.809) 35.442 1.067 ( -11.112 16.003 34.905) 39.974 1.695 ( 5.126 49.115 25.454) 55.556 2.301 ( -2.190 1.439 7.880) 8.304 2.443 ( -5.610 -6.314 7.835) 11.521 2.820 ( 3.422 10.252 10.508) 15.074 3.724 ( -1.446 6.209 -12.711) 14.220 4.194 ( -3.402 4.546 0.889) 5.747 4.229 ( -14.632 8.456 3.509) 17.260 4.437 ( 6.592 11.526 5.419) 14.341 5.318 ( 2.751 -3.479 -0.160) 4.438 5.505 ( 3.767 -3.904 -2.266) 5.879 5.987 ( 0.843 -3.631 -2.642) 4.569 6.257 ( -4.332 -10.360 -2.835) 11.582 6.311 ( 4.214 -12.259 -3.878) 13.530 6.486 ( -2.640 -1.233 0.678) 2.992 6.774 ( -6.524 -14.105 10.263) 18.624 6.997 ( -3.531 3.523 -2.890) 5.765 7.472 ( -8.421 0.408 3.159) 9.003 7.602 ( -2.393 15.386 -8.928) 17.949 7.826 ( 0.396 -8.177 4.767) 9.473 7.986 ( -2.857 6.919 -9.083) 11.771 8.168 ( -0.245 3.781 0.687) 3.851 8.572 ( 8.084 -4.958 0.731) 9.511 8.760 ( -0.539 -3.780 8.429) 9.254 9.362 ( 25.424 -17.975 23.365) 38.928 9.660 ( -2.625 3.069 -2.896) 4.970 10.457 ( 17.605 1.583 -7.911) 19.365 12.323 ( -10.400 -4.445 0.033) 11.310 12.542 ( 8.265 -5.684 9.045) 13.506 12.649 ( -3.428 3.560 -1.565) 5.185 12.834 ( -3.024 -9.942 -0.440) 10.401 13.305 ( -0.190 10.580 0.852) 10.616 14.578 ( -1.419 4.446 -13.536) 14.318 14.732 ( 10.898 -1.970 -6.122) 12.654 14.895 ( -5.590 -0.184 0.170) 5.596 15.129 ( -25.174 13.549 -16.145) 32.833 15.326 ( 21.577 12.253 -2.831) 24.975 20.120 ( -4.148 -0.985 13.434) 14.094 20.895 ( 2.614 2.168 1.595) 3.752 21.282 ( -8.170 8.200 -4.169) 12.303 21.346 ( -0.697 1.129 3.461) 3.706 21.975 ( 0.263 7.691 -6.201) 9.883 23.229 ( 2.063 -0.519 -9.611) 9.843 24.581 ( 4.167 -8.142 5.791) 10.825 24.776 ( 6.589 -0.711 -1.871) 6.887 25.223 ( -0.003 -2.848 8.522) 8.986 25.406 ( -1.191 -2.210 1.731) 3.050 ======================= Grid point 127 (51/227) ======================= q-point: ( 0.20 0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -0.152 0.000 32.861) 32.862 2.084 ( 0.659 -0.000 8.057) 8.084 2.427 ( 1.300 -0.000 3.369) 3.611 2.729 ( 14.751 -0.000 7.673) 16.627 2.949 ( 5.198 -0.000 -4.891) 7.137 3.507 ( 23.192 -0.000 -10.550) 25.479 4.018 ( 5.931 -0.000 9.852) 11.500 4.334 ( 18.470 -0.000 14.387) 23.412 4.611 ( 7.601 -0.000 -6.322) 9.886 4.748 ( 4.001 -0.000 8.576) 9.463 5.494 ( -16.228 0.000 -4.495) 16.839 5.606 ( -3.462 0.000 -5.997) 6.925 5.635 ( 11.315 -0.000 0.315) 11.319 5.879 ( 0.500 -0.000 -5.230) 5.254 6.079 ( -14.155 0.000 -4.535) 14.864 6.125 ( 8.290 -0.000 4.888) 9.624 6.551 ( -2.099 0.000 8.233) 8.496 7.041 ( -3.137 0.000 0.614) 3.196 7.243 ( 12.683 -0.000 -0.260) 12.686 7.442 ( -10.017 0.000 6.650) 12.023 7.517 ( -5.826 0.000 -6.764) 8.927 7.948 ( 3.370 -0.000 7.113) 7.871 8.003 ( -16.019 0.000 -14.704) 21.744 8.442 ( -8.458 0.000 -3.515) 9.159 8.716 ( -6.938 0.000 6.617) 9.588 9.996 ( 7.575 -0.000 1.689) 7.760 10.061 ( -6.476 0.000 -11.548) 13.240 10.122 ( 1.165 -0.000 -3.132) 3.342 11.766 ( -4.695 0.000 8.614) 9.811 11.947 ( -1.304 0.000 2.904) 3.183 13.038 ( -3.866 0.000 1.945) 4.328 13.326 ( -1.896 0.000 -6.373) 6.649 13.597 ( 9.684 -0.000 6.217) 11.508 13.876 ( 6.399 -0.000 -8.094) 10.318 14.555 ( -2.808 0.000 3.462) 4.457 14.659 ( -1.229 0.000 -3.199) 3.427 15.624 ( 6.372 -0.000 6.987) 9.456 15.803 ( 8.096 -0.000 -11.910) 14.401 20.246 ( -5.510 0.000 11.749) 12.977 21.302 ( 8.526 -0.000 -8.429) 11.989 21.419 ( 5.408 -0.000 1.074) 5.514 21.609 ( -2.592 0.000 -2.011) 3.280 22.143 ( 19.058 -0.000 14.248) 23.796 23.004 ( 4.637 -0.000 -13.276) 14.062 24.035 ( -9.831 0.000 -5.519) 11.274 24.734 ( -5.674 0.000 1.941) 5.997 25.314 ( -6.400 0.000 5.777) 8.622 25.460 ( -0.543 0.000 -0.032) 0.544 ======================= Grid point 128 (52/227) ======================= q-point: ( 0.30 0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -4.396 6.773 10.086) 12.920 2.206 ( -3.812 -4.296 13.297) 14.484 2.502 ( 2.761 2.067 13.876) 14.298 2.921 ( 14.330 8.339 -2.914) 16.834 3.125 ( 14.690 1.380 9.215) 17.396 3.741 ( 15.787 0.105 -16.747) 23.015 4.113 ( -0.522 -4.451 4.078) 6.059 4.494 ( 0.175 6.256 -7.005) 9.394 4.687 ( 3.706 -7.022 7.483) 10.911 4.859 ( 1.692 -4.931 3.904) 6.513 5.291 ( -7.654 -1.340 -2.562) 8.182 5.624 ( 9.454 -0.006 -2.192) 9.705 5.705 ( -3.283 2.050 -7.346) 8.303 5.760 ( -8.165 2.484 -4.294) 9.554 6.073 ( 12.421 0.865 9.974) 15.954 6.300 ( 11.038 1.080 7.789) 13.552 6.665 ( 2.719 -5.670 9.231) 11.169 6.983 ( 3.261 8.001 -0.747) 8.672 7.255 ( -9.611 7.702 -2.956) 12.665 7.361 ( -2.807 -1.981 3.669) 5.026 7.523 ( -0.132 -6.158 -0.549) 6.184 7.620 ( -16.983 -6.551 -16.182) 24.356 7.982 ( -0.831 5.400 6.158) 8.232 8.360 ( -2.577 -0.389 1.296) 2.910 8.689 ( -7.879 -7.518 4.470) 11.772 9.898 ( -1.285 3.603 -7.526) 8.442 9.962 ( -6.277 0.293 -8.054) 10.215 10.225 ( 11.023 1.823 -0.075) 11.173 11.762 ( 0.026 2.606 4.665) 5.343 11.981 ( 1.684 0.800 4.191) 4.587 13.002 ( -5.457 -3.582 2.629) 7.037 13.224 ( -6.341 -1.615 -7.092) 9.649 13.749 ( 7.881 3.872 6.278) 10.794 13.968 ( 8.560 -5.301 -7.222) 12.391 14.543 ( -1.910 0.345 3.711) 4.188 14.631 ( -0.523 -0.786 -2.225) 2.417 15.611 ( 4.478 14.956 1.261) 15.663 15.942 ( 3.401 -12.778 -4.464) 13.956 20.233 ( -6.505 0.398 11.000) 12.786 21.333 ( 4.036 0.024 -6.756) 7.870 21.417 ( 4.271 11.574 -0.063) 12.337 21.693 ( 3.200 -12.053 -2.373) 12.695 22.471 ( 10.308 -1.388 10.495) 14.776 22.984 ( 5.845 0.069 -14.915) 16.019 23.887 ( -0.564 5.661 -1.054) 5.786 24.657 ( -7.491 -2.231 0.170) 7.818 25.235 ( -4.172 4.740 5.043) 8.082 25.482 ( -2.015 -5.441 0.540) 5.827 ======================= Grid point 129 (53/227) ======================= q-point: (-0.60 0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -5.312 5.173 9.494) 12.046 2.228 ( -4.950 -1.864 4.891) 7.204 2.601 ( -2.242 5.759 21.320) 22.198 2.984 ( 14.700 13.697 -6.744) 21.194 3.333 ( 11.228 9.115 3.952) 14.992 3.666 ( -1.488 2.677 -16.997) 17.271 4.169 ( -3.971 -9.107 -5.822) 11.515 4.404 ( 7.115 9.968 2.293) 12.459 4.802 ( -2.279 -0.401 8.015) 8.343 5.019 ( 2.550 -12.611 2.835) 13.175 5.232 ( -2.537 3.655 2.607) 5.156 5.436 ( -10.433 0.120 -4.842) 11.503 5.697 ( 8.219 4.508 -9.525) 13.365 5.890 ( 13.528 -6.289 1.803) 15.027 6.266 ( 8.113 1.950 5.302) 9.886 6.497 ( 8.107 7.596 7.784) 13.565 6.689 ( -7.117 -4.836 -1.233) 8.692 6.951 ( -11.479 6.323 3.258) 13.504 7.111 ( 7.216 1.130 -0.752) 7.342 7.239 ( -5.352 3.240 -3.193) 7.024 7.447 ( -2.689 -6.629 -0.098) 7.154 7.643 ( -0.877 -3.765 -0.551) 3.905 7.975 ( 0.891 -2.386 3.824) 4.595 8.360 ( -2.262 -1.037 4.318) 4.983 8.707 ( -6.929 -10.770 3.077) 13.171 9.760 ( -7.754 3.667 -10.520) 13.573 9.840 ( 1.681 1.944 -4.507) 5.189 10.355 ( 11.458 3.658 -1.783) 12.159 11.763 ( 1.623 2.926 0.320) 3.361 12.026 ( 4.356 2.915 3.242) 6.163 12.983 ( -7.507 -4.788 2.668) 9.295 13.100 ( -8.421 -5.219 -5.182) 11.180 13.830 ( 6.120 7.122 5.334) 10.799 14.130 ( 10.226 -6.385 -6.461) 13.678 14.541 ( -0.857 0.395 2.962) 3.109 14.633 ( -0.220 -2.373 -0.551) 2.446 15.504 ( 2.602 14.005 0.612) 14.258 16.063 ( -0.945 -9.464 -2.865) 9.933 20.197 ( -7.477 0.418 9.989) 12.484 21.326 ( 1.011 4.723 -3.233) 5.812 21.361 ( 3.083 2.976 -2.720) 5.075 21.847 ( 4.747 -5.791 -1.261) 7.593 22.567 ( -1.264 3.766 1.631) 4.294 22.975 ( 7.434 0.001 -15.798) 17.460 23.935 ( 12.042 4.666 7.366) 14.868 24.564 ( -8.876 -3.927 -1.850) 9.880 25.164 ( -2.565 4.520 3.750) 6.409 25.519 ( -3.142 -6.410 1.818) 7.367 ======================= Grid point 130 (54/227) ======================= q-point: (-0.50 0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -7.520 5.341 12.240) 15.327 2.178 ( -8.500 -3.013 -0.582) 9.037 2.558 ( -10.036 11.056 19.149) 24.282 2.851 ( -1.582 17.856 -9.227) 20.161 3.314 ( 8.501 8.753 -5.211) 13.268 3.650 ( 13.563 6.713 -6.298) 16.391 4.097 ( -1.364 4.159 -6.406) 7.759 4.471 ( 4.918 8.550 4.734) 10.941 4.782 ( -8.285 -6.854 7.639) 13.190 5.070 ( -1.422 11.647 8.483) 14.478 5.220 ( 0.063 -5.354 0.865) 5.424 5.410 ( 2.084 -3.057 0.397) 3.721 5.723 ( 11.717 2.226 -13.371) 17.917 6.147 ( 4.461 -5.943 2.410) 7.812 6.242 ( -1.500 11.154 -0.021) 11.254 6.454 ( -3.870 3.820 1.231) 5.575 6.711 ( -4.722 -1.535 4.710) 6.844 6.822 ( -2.236 -4.571 -0.243) 5.094 7.046 ( -4.461 -4.596 -2.132) 6.750 7.176 ( 1.840 9.035 -3.158) 9.746 7.608 ( 4.739 -8.829 7.812) 12.706 7.712 ( 6.417 -5.313 1.271) 8.427 8.078 ( 1.541 -6.346 1.581) 6.719 8.356 ( -3.732 -1.271 3.190) 5.071 8.768 ( -3.709 -8.883 5.338) 11.007 9.501 ( -9.181 5.165 -13.046) 16.768 9.842 ( 3.814 2.516 -0.876) 4.652 10.451 ( 10.762 5.397 -4.524) 12.861 11.762 ( 3.623 1.388 -1.786) 4.271 12.103 ( 7.099 1.471 1.461) 7.395 12.877 ( -12.367 -3.814 -1.301) 13.007 13.055 ( -7.360 -7.405 1.069) 10.495 13.844 ( 4.094 9.768 4.056) 11.341 14.305 ( 10.567 -4.850 -6.947) 13.544 14.553 ( 0.147 -0.255 2.178) 2.198 14.675 ( 0.618 -4.433 1.238) 4.644 15.396 ( 2.221 12.443 1.378) 12.714 16.079 ( -5.420 -5.600 -3.327) 8.474 20.144 ( -8.076 -0.059 9.190) 12.235 21.239 ( -1.845 5.148 -2.282) 5.925 21.376 ( 3.006 0.738 -2.141) 3.764 21.936 ( 3.905 0.952 0.917) 4.123 22.425 ( -4.801 9.318 -3.928) 11.193 22.992 ( 9.433 -0.108 -15.174) 17.868 24.190 ( 15.753 0.788 10.726) 19.074 24.463 ( -8.267 -4.751 -3.738) 10.241 25.108 ( -1.707 3.917 2.708) 5.059 25.549 ( -4.951 -6.308 2.742) 8.475 ======================= Grid point 131 (55/227) ======================= q-point: (-0.40 0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -11.952 8.619 17.433) 22.826 1.962 ( -18.390 1.588 -8.387) 20.274 2.379 ( -11.085 8.918 16.555) 21.828 2.609 ( 1.567 15.994 -0.656) 16.084 3.310 ( 7.685 11.866 -3.058) 14.464 3.666 ( 7.880 18.456 -2.548) 20.229 4.004 ( 2.297 5.184 -8.635) 10.331 4.395 ( 6.205 14.611 4.415) 16.477 4.850 ( -5.079 -5.294 8.941) 11.566 4.941 ( 1.580 21.188 7.718) 22.606 5.274 ( -1.722 -7.684 -2.848) 8.374 5.521 ( 8.105 -2.522 3.344) 9.123 5.755 ( -1.604 -0.739 -9.167) 9.336 6.083 ( 2.549 6.212 1.370) 6.853 6.174 ( -9.788 1.655 -1.762) 10.082 6.299 ( -10.244 -1.586 -6.037) 11.996 6.623 ( -9.213 1.654 7.933) 12.270 6.898 ( 1.936 -5.434 -4.004) 7.022 7.073 ( 9.347 2.415 7.807) 12.415 7.271 ( 7.764 -10.933 -3.953) 13.980 7.790 ( -0.401 -13.576 3.543) 14.036 7.930 ( 9.918 -3.380 3.392) 11.014 8.157 ( 0.803 -3.406 0.115) 3.502 8.327 ( -5.205 -2.703 2.129) 6.239 8.858 ( -0.241 -2.925 8.132) 8.646 9.206 ( -8.977 5.648 -13.718) 17.340 9.866 ( 3.634 4.021 1.018) 5.514 10.477 ( 8.202 7.089 -8.315) 13.662 11.857 ( 9.550 -2.794 0.352) 9.957 12.209 ( 7.364 -0.936 -2.115) 7.719 12.724 ( -13.574 -4.407 0.550) 14.282 13.013 ( -9.577 -5.060 1.451) 10.928 13.790 ( 1.862 11.587 2.617) 12.024 14.443 ( 8.558 -2.991 -7.089) 11.509 14.579 ( 0.585 -1.154 1.060) 1.672 14.766 ( 1.846 -5.776 1.913) 6.358 15.328 ( 5.380 10.861 2.151) 12.310 15.980 ( -10.224 -2.092 -4.800) 11.487 20.092 ( -7.991 -0.830 9.199) 12.214 21.131 ( -3.099 4.694 -1.867) 5.927 21.396 ( 2.759 1.797 -0.444) 3.323 21.962 ( 3.762 8.163 4.603) 10.098 22.204 ( -5.123 8.466 -7.647) 12.506 23.051 ( 11.228 -0.202 -12.901) 17.104 24.350 ( -6.842 -5.357 -1.539) 8.825 24.513 ( 14.254 -0.579 5.407) 15.256 25.071 ( 0.047 3.066 2.795) 4.149 25.539 ( -8.370 -5.480 2.818) 10.394 ======================= Grid point 132 (56/227) ======================= q-point: (-0.30 0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -14.993 13.697 19.677) 28.277 1.625 ( -11.589 11.396 6.100) 17.360 2.280 ( -8.313 3.230 14.891) 17.357 2.513 ( 3.982 10.801 1.946) 11.675 3.218 ( 3.458 16.267 1.187) 16.673 3.395 ( 0.259 38.772 -0.409) 38.775 3.917 ( 0.040 2.192 -4.551) 5.051 4.444 ( 12.218 13.463 3.014) 18.429 4.745 ( -2.593 15.575 4.263) 16.355 4.875 ( 3.063 8.250 2.903) 9.267 5.294 ( -0.664 -2.409 -1.793) 3.076 5.450 ( -20.904 3.229 -6.297) 22.069 5.776 ( 11.528 -8.753 1.345) 14.537 6.011 ( -4.768 -4.453 -7.787) 10.159 6.070 ( -10.210 -4.829 -5.835) 12.713 6.266 ( 7.224 -1.023 7.544) 10.494 6.545 ( -7.541 -1.410 7.162) 10.495 6.953 ( 3.174 -2.427 -1.937) 4.441 7.352 ( 11.849 -5.789 12.980) 18.504 7.417 ( -1.273 -9.193 -4.960) 10.523 7.958 ( 1.662 -11.982 -2.818) 12.421 8.080 ( 4.487 -1.309 2.194) 5.164 8.174 ( 0.449 2.137 -1.170) 2.478 8.310 ( -4.957 -6.073 2.380) 8.193 8.817 ( -6.943 4.061 -7.388) 10.921 9.069 ( 3.949 2.874 7.969) 9.347 9.854 ( 0.828 5.197 -0.611) 5.298 10.449 ( 7.798 6.234 -9.171) 13.556 12.105 ( 14.761 -5.878 3.304) 16.228 12.291 ( 3.115 -2.871 -5.668) 7.076 12.605 ( -9.941 -4.720 3.430) 11.527 12.897 ( -11.955 -1.780 0.178) 12.088 13.684 ( 0.105 12.179 1.703) 12.298 14.539 ( 6.672 -2.523 -5.321) 8.899 14.601 ( -0.029 -1.771 -1.340) 2.221 14.849 ( -0.648 -4.620 0.635) 4.708 15.369 ( 13.608 8.566 1.654) 16.164 15.751 ( -15.712 1.632 -7.403) 17.445 20.061 ( -6.780 -1.658 10.317) 12.456 21.028 ( -1.843 5.067 -0.478) 5.413 21.409 ( 2.130 2.771 0.781) 3.582 21.847 ( -3.435 17.157 -0.862) 17.518 22.075 ( 1.856 1.399 -3.016) 3.808 23.144 ( 10.489 -0.890 -9.995) 14.516 24.318 ( -2.704 -5.671 -1.166) 6.390 24.714 ( 7.273 0.003 1.005) 7.342 25.112 ( 6.350 1.376 4.883) 8.128 25.452 ( -13.086 -4.127 2.333) 13.918 ======================= Grid point 133 (57/227) ======================= q-point: (-0.20 0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -14.780 14.203 32.853) 38.723 1.508 ( 10.989 17.453 16.245) 26.254 2.270 ( -4.567 -0.574 14.388) 15.106 2.469 ( -1.561 6.488 1.900) 6.938 2.890 ( 2.964 50.201 6.488) 50.705 3.136 ( 6.955 16.444 8.274) 19.678 3.875 ( 2.442 6.222 -5.052) 8.379 4.367 ( -3.686 10.811 -2.322) 11.656 4.513 ( -18.111 15.071 0.171) 23.562 4.717 ( 3.002 12.695 -0.574) 13.058 5.281 ( 3.651 0.548 -2.453) 4.432 5.359 ( 4.499 -8.933 -1.674) 10.141 5.869 ( -6.010 -4.987 -10.387) 12.995 6.012 ( -2.489 -11.496 -4.032) 12.434 6.122 ( 12.376 -5.069 3.397) 13.798 6.445 ( 3.037 -3.739 5.868) 7.592 6.516 ( -8.293 -5.126 9.045) 13.299 7.020 ( 2.127 -0.724 1.159) 2.528 7.367 ( -12.176 -7.261 -1.724) 14.281 7.649 ( 4.583 -7.173 8.747) 12.206 7.954 ( -1.488 10.473 -5.384) 11.869 8.044 ( -3.462 -1.415 -10.506) 11.152 8.204 ( 1.707 -0.841 1.495) 2.420 8.385 ( 1.309 -10.729 4.121) 11.567 8.701 ( 0.549 -1.034 -0.327) 1.216 9.228 ( 8.310 0.802 14.685) 16.892 9.763 ( -1.755 5.931 -3.661) 7.187 10.473 ( 8.486 1.529 -6.777) 10.967 12.253 ( -8.809 -2.551 -1.175) 9.246 12.434 ( 15.384 -5.582 5.478) 17.258 12.613 ( -4.098 -8.584 0.442) 9.522 12.728 ( -4.556 2.676 -2.612) 5.894 13.556 ( -0.609 11.734 1.567) 11.854 14.587 ( -1.615 -1.209 -4.932) 5.329 14.640 ( 6.585 -3.775 -2.868) 8.114 14.858 ( -3.070 -2.825 -1.071) 4.307 15.365 ( -20.699 8.166 -10.257) 24.502 15.542 ( 19.766 6.728 -1.768) 20.954 20.076 ( -4.614 -2.361 12.230) 13.283 20.972 ( 1.734 4.685 1.236) 5.146 21.386 ( -3.438 3.492 0.331) 4.911 21.582 ( -0.650 15.403 -4.296) 16.004 22.091 ( 3.881 3.899 -0.726) 5.549 23.209 ( 4.647 -1.162 -9.697) 10.815 24.413 ( 3.923 -7.127 4.176) 9.145 24.756 ( 0.889 -0.994 -2.435) 2.777 25.220 ( -6.970 1.083 5.300) 8.822 25.339 ( 1.255 -3.556 2.100) 4.316 ======================= Grid point 134 (58/227) ======================= q-point: (-0.10 0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -7.726 8.648 36.792) 38.576 1.687 ( 18.192 23.671 19.325) 35.563 2.270 ( -3.228 11.972 6.475) 13.989 2.336 ( -2.530 -2.482 12.126) 12.633 2.695 ( 19.257 30.331 16.526) 39.546 3.202 ( 14.057 14.441 16.035) 25.754 3.743 ( 3.767 11.605 -14.015) 18.582 3.903 ( -26.936 10.041 -8.992) 30.120 4.308 ( -1.478 4.597 6.969) 8.478 4.684 ( 5.025 9.455 1.725) 10.845 5.336 ( 5.201 -0.573 -2.099) 5.637 5.546 ( 8.322 -7.218 -4.778) 12.008 5.842 ( -3.227 -11.478 -6.320) 13.495 6.064 ( 1.027 -7.824 -3.923) 8.813 6.359 ( 0.947 1.303 -0.061) 1.612 6.435 ( 4.202 -4.115 0.207) 5.885 6.608 ( -7.519 -10.232 11.007) 16.804 6.877 ( -15.032 6.978 -5.252) 17.385 7.343 ( -4.163 -6.605 8.184) 11.311 7.673 ( -2.761 1.366 -6.770) 7.438 7.785 ( -2.277 9.080 0.643) 9.383 7.948 ( -5.322 -0.339 -2.836) 6.040 8.217 ( 1.826 1.787 -0.061) 2.555 8.602 ( 3.585 -11.681 4.160) 12.908 8.803 ( 5.650 -2.857 3.868) 7.419 9.457 ( 1.629 -8.107 7.664) 11.274 9.701 ( 4.875 0.746 2.136) 5.374 10.533 ( 3.185 -3.164 -7.543) 8.777 12.097 ( -15.371 -0.802 3.816) 15.858 12.458 ( -15.389 -1.856 -0.996) 15.533 12.754 ( 14.684 -4.931 4.268) 16.067 12.865 ( 15.082 -3.722 -2.972) 15.816 13.435 ( -0.101 10.235 1.616) 10.362 14.470 ( -6.371 5.497 -11.833) 14.520 14.792 ( 6.319 -5.019 -1.067) 8.140 14.826 ( -0.780 -1.899 -2.976) 3.615 14.884 ( -16.288 10.186 -3.867) 19.597 15.731 ( 19.725 7.890 -7.259) 22.451 20.138 ( -3.318 -2.449 13.575) 14.188 21.001 ( 5.188 1.927 2.301) 5.994 21.221 ( -4.122 6.332 -2.457) 7.945 21.505 ( 6.973 9.087 0.718) 11.477 22.055 ( 1.746 8.844 -2.643) 9.394 23.167 ( 0.008 0.938 -10.669) 10.711 24.508 ( -6.869 -5.226 -1.081) 8.699 24.850 ( 7.525 -5.989 2.010) 9.825 25.053 ( -14.940 -3.007 8.667) 17.532 25.504 ( 8.532 -1.941 0.973) 8.804 ======================= Grid point 138 (59/227) ======================= q-point: ( 0.30 0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -4.780 0.000 2.517) 5.403 2.201 ( -6.070 0.000 9.134) 10.967 2.681 ( 0.860 -0.000 24.239) 24.254 3.153 ( 16.948 -0.000 -7.626) 18.584 3.481 ( 15.542 -0.000 16.924) 22.978 3.678 ( -14.206 0.000 -18.292) 23.161 4.023 ( 6.763 -0.000 -15.883) 17.263 4.617 ( 11.923 -0.000 1.274) 11.991 4.657 ( -3.406 0.000 4.042) 5.286 4.909 ( 1.710 -0.000 4.452) 4.769 5.274 ( 3.665 -0.000 6.634) 7.579 5.440 ( -16.545 0.000 -4.893) 17.253 5.781 ( 13.496 -0.000 -1.881) 13.626 5.790 ( 6.838 -0.000 -6.472) 9.415 6.304 ( 9.400 -0.000 5.505) 10.894 6.472 ( 7.607 -0.000 0.868) 7.657 6.736 ( -2.247 0.000 11.280) 11.502 7.082 ( -16.420 0.000 -11.652) 20.134 7.197 ( 7.461 -0.000 12.120) 14.232 7.200 ( -12.476 0.000 -9.874) 15.911 7.308 ( 1.735 -0.000 1.606) 2.364 7.562 ( 5.625 -0.000 -2.416) 6.122 8.020 ( -4.550 0.000 4.876) 6.669 8.350 ( 0.411 -0.000 4.576) 4.594 8.537 ( -10.301 0.000 4.829) 11.377 9.802 ( -7.820 0.000 -10.195) 12.849 9.866 ( 1.621 -0.000 -5.507) 5.741 10.399 ( 11.713 -0.000 -1.327) 11.788 11.800 ( 0.728 -0.000 0.540) 0.906 12.064 ( 3.618 -0.000 4.178) 5.527 12.921 ( -5.385 0.000 4.300) 6.891 13.039 ( -10.149 0.000 -7.206) 12.447 13.932 ( 7.072 -0.000 6.853) 9.847 14.036 ( 11.165 -0.000 -6.581) 12.960 14.546 ( -1.577 0.000 3.694) 4.016 14.603 ( -0.329 0.000 -2.624) 2.644 15.789 ( 1.481 -0.000 -9.745) 9.857 15.830 ( 0.680 -0.000 6.935) 6.968 20.201 ( -7.957 0.000 10.224) 12.955 21.340 ( 3.527 -0.000 -6.275) 7.199 21.466 ( -3.654 0.000 -4.488) 5.787 21.750 ( 11.698 -0.000 2.510) 11.964 22.607 ( 1.637 -0.000 4.856) 5.124 22.975 ( 7.465 -0.000 -16.311) 17.938 24.003 ( 9.853 -0.000 5.145) 11.115 24.512 ( -9.576 0.000 -1.304) 9.664 25.247 ( -3.751 0.000 6.894) 7.848 25.411 ( -2.497 0.000 -1.364) 2.845 ======================= Grid point 139 (60/227) ======================= q-point: (-0.60 0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -5.126 1.867 4.947) 7.364 2.127 ( -10.142 -1.297 1.531) 10.338 2.801 ( -4.703 7.743 27.089) 28.563 3.173 ( -10.205 11.290 -13.142) 20.107 3.399 ( 9.403 -2.368 -9.658) 13.686 3.784 ( 14.412 3.997 8.253) 17.082 4.051 ( 4.489 -4.445 -10.723) 12.446 4.576 ( -1.407 4.245 4.479) 6.329 4.780 ( -3.525 0.047 0.230) 3.533 4.992 ( 4.316 -4.403 2.577) 6.682 5.309 ( 4.498 -0.523 3.852) 5.945 5.398 ( 6.035 4.241 6.630) 9.918 5.814 ( 8.628 4.225 -9.688) 13.643 6.009 ( 11.232 -4.999 0.677) 12.313 6.428 ( 7.345 5.041 -2.552) 9.267 6.553 ( -2.560 -3.873 -0.350) 4.656 6.639 ( -6.108 6.917 -3.301) 9.800 6.817 ( -8.224 -4.964 -1.350) 9.700 6.976 ( -8.526 5.649 -1.660) 10.361 7.292 ( -6.135 -9.465 6.982) 13.266 7.477 ( 6.646 7.094 3.162) 10.222 7.630 ( 7.343 -4.192 -0.731) 8.487 7.970 ( -3.969 -2.576 2.716) 5.456 8.367 ( -4.342 3.289 5.932) 8.053 8.538 ( -0.753 -10.198 8.500) 13.297 9.583 ( -9.527 1.900 -12.842) 16.102 9.885 ( 4.781 1.089 -1.707) 5.192 10.549 ( 12.054 2.594 -2.862) 12.658 11.793 ( 0.278 0.959 -2.187) 2.404 12.132 ( 3.905 0.793 1.304) 4.192 12.829 ( -11.470 -0.369 -3.322) 11.947 12.915 ( -4.834 -4.354 3.336) 7.311 14.031 ( 5.763 6.336 5.222) 10.031 14.204 ( 12.353 -4.095 -5.015) 13.946 14.547 ( -1.052 -0.099 2.290) 2.522 14.592 ( -0.528 -2.418 -2.008) 3.187 15.658 ( 0.462 10.232 -3.613) 10.861 15.924 ( -3.004 -7.741 1.060) 8.370 20.143 ( -8.811 -0.048 9.266) 12.787 21.334 ( 0.209 2.943 -4.688) 5.539 21.386 ( 0.411 -0.195 -4.226) 4.251 21.933 ( 8.794 -0.477 2.917) 9.277 22.592 ( -2.346 4.446 0.530) 5.055 22.987 ( 9.567 -0.236 -16.665) 19.217 24.228 ( 13.818 1.939 8.841) 16.518 24.370 ( -9.363 -3.102 -1.931) 10.051 25.209 ( -2.514 4.978 4.593) 7.225 25.396 ( -4.543 -6.492 0.367) 7.932 ======================= Grid point 140 (61/227) ======================= q-point: (-0.50 0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -6.594 3.231 8.394) 11.152 1.945 ( -14.469 -1.584 -4.478) 15.228 2.675 ( -15.069 14.892 20.885) 29.750 2.895 ( -2.327 8.914 -1.402) 9.319 3.514 ( 12.245 5.617 -7.007) 15.185 3.927 ( 11.541 6.329 -4.676) 13.969 4.082 ( 1.179 0.881 -2.275) 2.710 4.617 ( 1.769 -3.201 7.552) 8.390 4.671 ( -5.588 0.428 4.087) 6.936 5.115 ( 2.656 -4.688 1.198) 5.520 5.388 ( 4.381 16.328 4.938) 17.612 5.533 ( 14.544 1.032 6.860) 16.114 5.815 ( 7.372 5.339 -13.562) 16.333 6.132 ( -1.530 -0.743 -2.301) 2.861 6.303 ( -13.264 3.348 -5.697) 14.818 6.348 ( -2.144 10.151 0.031) 10.375 6.727 ( 4.700 0.365 1.478) 4.940 6.777 ( -3.073 2.263 0.878) 3.916 6.915 ( 2.520 -14.616 -1.205) 14.880 7.269 ( -1.224 7.427 -1.104) 7.607 7.476 ( -5.977 -12.070 6.755) 15.068 7.839 ( 8.881 -4.279 2.858) 10.264 8.008 ( -2.499 -9.213 0.003) 9.546 8.294 ( -6.540 -0.384 3.243) 7.310 8.755 ( 5.801 -5.270 12.912) 15.104 9.311 ( -9.988 3.363 -14.023) 17.542 9.941 ( 5.107 2.471 0.618) 5.707 10.640 ( 10.144 6.434 -5.360) 13.154 11.799 ( 3.047 -2.203 -1.139) 3.929 12.187 ( 3.959 -1.043 -2.817) 4.970 12.652 ( -11.965 -1.927 -0.088) 12.120 12.915 ( -4.853 -3.242 2.753) 6.453 14.036 ( 3.096 9.962 3.741) 11.082 14.383 ( 11.163 -2.472 -6.454) 13.129 14.553 ( -0.566 -1.014 0.944) 1.496 14.628 ( 0.350 -6.074 0.076) 6.085 15.551 ( 2.274 8.752 -1.272) 9.132 15.914 ( -7.087 -3.761 -1.163) 8.107 20.077 ( -8.460 -0.437 8.709) 12.149 21.240 ( -1.794 4.836 -2.505) 5.734 21.407 ( 3.121 -0.957 -3.015) 4.443 22.052 ( 5.619 1.503 2.841) 6.474 22.457 ( -3.158 11.097 -2.109) 11.729 23.039 ( 11.436 -0.679 -15.028) 18.897 24.241 ( -8.547 -4.067 -0.990) 9.517 24.509 ( 13.838 0.050 7.432) 15.707 25.145 ( -1.772 3.906 2.054) 4.755 25.399 ( -7.047 -6.682 2.339) 9.989 ======================= Grid point 141 (62/227) ======================= q-point: (-0.40 0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -7.874 1.462 1.049) 8.077 1.804 ( -7.891 6.770 12.707) 16.418 2.457 ( -11.775 12.218 19.195) 25.620 2.776 ( 0.119 11.600 3.473) 12.110 3.531 ( 7.236 10.719 -2.191) 13.117 3.949 ( 6.379 5.098 -3.580) 8.916 4.009 ( 0.095 11.631 -2.659) 11.931 4.640 ( -0.653 2.058 2.430) 3.250 4.822 ( 7.009 -9.796 5.932) 13.427 5.092 ( -5.450 7.679 -3.708) 10.120 5.342 ( 9.151 13.901 6.407) 17.833 5.626 ( -10.642 8.709 -12.534) 18.606 5.753 ( 12.275 7.258 8.611) 16.658 5.975 ( -7.594 -0.679 -10.094) 12.650 6.067 ( -11.445 7.861 -5.710) 15.013 6.260 ( 4.928 -1.359 2.419) 5.655 6.622 ( -5.408 8.958 8.849) 13.704 6.894 ( 5.540 -2.709 -2.225) 6.556 7.135 ( 2.730 -15.448 -1.845) 15.796 7.272 ( 5.515 -1.611 4.096) 7.056 7.607 ( -3.463 -16.413 3.279) 17.092 8.009 ( 4.243 -5.446 3.094) 7.566 8.089 ( -0.598 -9.905 -0.773) 9.953 8.231 ( -5.760 -0.946 2.197) 6.237 8.874 ( -5.866 0.729 -5.322) 7.954 9.129 ( 3.348 2.484 4.723) 6.299 9.965 ( 2.304 4.380 0.240) 4.955 10.627 ( 6.629 9.033 -7.611) 13.545 11.946 ( 8.041 -8.109 1.920) 11.580 12.229 ( 3.009 -2.435 -5.766) 6.944 12.528 ( -9.227 -2.142 3.778) 10.198 12.865 ( -6.316 -0.832 0.048) 6.370 13.956 ( 0.206 11.762 1.942) 11.923 14.495 ( 7.396 -1.537 -6.009) 9.653 14.560 ( -0.760 -1.773 -0.959) 2.155 14.723 ( 1.003 -6.589 0.556) 6.688 15.534 ( 7.814 6.212 0.410) 9.991 15.780 ( -11.070 0.792 -3.470) 11.628 20.031 ( -6.804 -0.997 8.995) 11.322 21.152 ( -0.488 5.801 -0.402) 5.835 21.442 ( 2.594 0.037 -1.146) 2.836 22.105 ( 1.220 1.245 -1.620) 2.380 22.244 ( -0.972 16.882 0.132) 16.910 23.123 ( 10.816 -0.895 -12.550) 16.591 24.191 ( -4.304 -5.505 0.148) 6.990 24.714 ( 7.125 -0.021 2.635) 7.597 25.131 ( 2.672 0.552 2.728) 3.858 25.354 ( -10.255 -4.405 2.964) 11.548 ======================= Grid point 142 (63/227) ======================= q-point: (-0.30 0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -10.103 11.802 19.358) 24.821 1.758 ( 9.393 5.375 12.172) 16.287 2.324 ( -8.108 6.587 16.667) 19.670 2.688 ( 1.102 11.859 5.318) 13.044 3.494 ( 6.949 14.258 5.370) 16.746 3.765 ( -3.760 23.926 -1.173) 24.248 3.999 ( 9.702 5.889 -0.048) 11.349 4.592 ( -2.951 3.365 -3.581) 5.732 4.792 ( -13.218 12.279 -3.322) 18.345 5.064 ( -20.842 8.986 -7.756) 23.985 5.104 ( 11.265 0.121 -0.524) 11.278 5.404 ( 5.242 8.222 -2.145) 9.984 5.820 ( -5.566 -0.797 -4.384) 7.130 5.837 ( 3.964 -0.430 -6.624) 7.732 6.041 ( 10.934 -1.305 4.750) 11.992 6.396 ( 4.700 -1.176 5.773) 7.537 6.518 ( -5.576 5.289 9.207) 11.993 6.977 ( 3.041 -3.027 1.193) 4.454 7.203 ( -7.782 -6.970 -3.962) 11.173 7.477 ( 4.763 -8.508 9.037) 13.294 7.775 ( -0.839 -17.090 -2.045) 17.233 8.105 ( -2.813 -1.494 -1.747) 3.633 8.178 ( -1.900 -8.166 1.015) 8.446 8.183 ( 0.157 -0.172 1.647) 1.664 8.675 ( -4.897 -1.422 -9.581) 10.853 9.286 ( 7.951 3.207 12.937) 15.519 9.907 ( -0.900 6.440 -1.681) 6.716 10.563 ( 4.426 6.584 -7.703) 11.058 12.139 ( -4.252 -9.025 1.559) 10.097 12.311 ( 12.284 -3.569 -1.158) 12.844 12.483 ( -4.964 -3.338 3.875) 7.127 12.769 ( -2.996 1.179 -3.229) 4.560 13.821 ( -1.594 11.751 1.135) 11.913 14.547 ( -1.150 -2.047 -3.541) 4.249 14.577 ( 4.742 -2.456 -3.358) 6.308 14.779 ( -1.349 -3.896 -0.771) 4.195 15.522 ( -14.111 6.063 -5.729) 16.392 15.650 ( 13.970 3.287 0.171) 14.353 20.028 ( -4.337 -1.784 10.008) 11.052 21.097 ( 1.746 6.242 1.477) 6.648 21.453 ( 0.202 2.022 -0.034) 2.032 21.922 ( -4.141 12.639 -7.965) 15.503 22.199 ( 5.323 7.306 5.024) 10.342 23.184 ( 6.356 -0.951 -10.990) 12.731 24.257 ( 2.389 -6.765 3.221) 7.865 24.733 ( -3.732 -1.063 -3.106) 4.971 25.236 ( -11.850 -0.514 3.647) 12.409 25.261 ( 8.605 -2.591 3.521) 9.652 ======================= Grid point 143 (64/227) ======================= q-point: (-0.20 0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -9.752 11.932 25.163) 29.507 2.024 ( 19.803 6.400 16.188) 26.366 2.301 ( -3.804 0.867 12.514) 13.108 2.574 ( -3.160 16.610 7.709) 18.583 3.422 ( -1.132 26.011 7.719) 27.156 3.541 ( 12.387 15.616 11.977) 23.254 4.050 ( 11.759 14.066 -4.738) 18.936 4.196 ( -24.875 14.816 -11.316) 31.086 4.479 ( -8.866 11.747 -1.398) 14.783 4.757 ( -1.852 -2.238 -2.451) 3.801 5.315 ( 5.840 -10.713 -7.770) 14.465 5.425 ( 7.600 4.839 1.289) 9.101 5.679 ( -2.732 -0.599 -11.428) 11.765 5.946 ( 8.278 -2.272 -1.953) 8.803 6.300 ( 10.727 -4.759 8.110) 14.265 6.425 ( -4.952 2.086 0.002) 5.373 6.478 ( -4.231 -0.405 9.526) 10.431 7.007 ( -8.162 4.713 -1.364) 9.523 7.142 ( -2.566 -10.043 6.719) 12.353 7.609 ( -5.274 -5.250 3.378) 8.173 7.878 ( -4.444 -7.873 -5.151) 10.405 7.948 ( -6.393 1.585 -5.323) 8.469 8.200 ( -0.420 -2.848 2.527) 3.831 8.319 ( 3.255 -9.965 1.741) 10.626 8.708 ( 5.632 -5.659 -0.288) 7.990 9.425 ( 5.293 3.220 8.940) 10.877 9.807 ( 0.228 6.716 -0.618) 6.748 10.506 ( 0.830 1.282 -8.280) 8.420 12.078 ( -11.533 -1.727 3.550) 12.190 12.375 ( -12.164 -4.856 -2.176) 13.276 12.636 ( 14.560 -4.588 4.680) 15.967 12.806 ( 11.979 -2.272 -3.993) 12.829 13.673 ( -2.376 10.702 1.258) 11.035 14.502 ( -2.729 -0.612 -5.857) 6.491 14.664 ( 3.220 -5.486 -1.694) 6.582 14.773 ( -1.866 -1.521 -1.198) 2.689 15.166 ( -13.570 11.721 -6.623) 19.115 15.841 ( 15.853 2.390 -2.214) 16.185 20.077 ( -2.543 -2.656 11.081) 11.675 21.087 ( 3.807 5.423 2.246) 6.996 21.369 ( -4.399 6.194 -1.781) 7.803 21.737 ( 3.851 10.693 -2.785) 11.702 22.221 ( 4.349 6.905 2.210) 8.454 23.174 ( 1.927 -0.124 -10.859) 11.029 24.385 ( -3.199 -5.668 0.375) 6.519 24.674 ( -2.840 -7.045 0.878) 7.647 25.086 ( -9.291 2.738 4.124) 10.527 25.446 ( 8.388 -3.095 1.925) 9.146 ======================= Grid point 144 (65/227) ======================= q-point: (-0.10 0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -5.795 5.152 29.156) 30.170 2.261 ( -1.519 20.825 6.344) 21.823 2.344 ( 13.525 1.179 8.852) 16.207 2.381 ( -4.148 4.627 11.527) 13.095 3.314 ( -0.114 12.016 15.031) 19.244 3.623 ( -6.415 12.161 -0.059) 13.749 3.690 ( 7.665 17.985 6.208) 20.512 3.962 ( 15.404 18.638 -9.221) 25.878 4.368 ( -0.469 0.803 6.280) 6.349 4.814 ( 6.282 -0.326 0.505) 6.310 5.436 ( -0.128 -12.180 -8.115) 14.637 5.460 ( 9.229 8.384 -5.911) 13.799 5.632 ( -2.096 -8.007 -4.446) 9.395 6.093 ( 9.040 -3.257 -4.191) 10.483 6.258 ( -9.689 3.139 -6.729) 12.207 6.393 ( -17.584 0.135 3.629) 17.955 6.514 ( 0.785 -5.266 8.898) 10.370 6.830 ( 1.730 7.572 1.648) 7.940 7.302 ( -1.156 -7.125 10.233) 12.523 7.549 ( -4.677 -3.191 -3.869) 6.857 7.746 ( -13.087 -2.577 0.700) 13.357 7.872 ( -2.176 2.533 -3.044) 4.519 8.253 ( 1.542 -0.807 1.652) 2.400 8.469 ( -2.276 -12.292 -1.662) 12.611 8.873 ( 5.578 -4.047 2.665) 7.389 9.514 ( 5.993 1.465 4.723) 7.770 9.797 ( 3.718 1.440 2.700) 4.815 10.430 ( -3.862 -2.284 -9.954) 10.919 11.912 ( -13.288 1.189 2.761) 13.624 12.206 ( -12.839 -2.661 -1.286) 13.175 12.933 ( 13.664 -5.554 3.850) 15.244 13.037 ( 14.385 -3.235 -2.332) 14.928 13.534 ( -2.714 8.743 1.386) 9.259 14.383 ( -3.812 5.333 -8.663) 10.864 14.701 ( -4.528 -3.299 -5.968) 8.186 14.786 ( -5.842 0.956 5.965) 8.404 14.877 ( 4.393 3.472 -5.064) 7.550 16.003 ( 13.830 4.489 -4.930) 15.354 20.150 ( -2.820 -2.826 11.593) 12.261 21.085 ( 0.432 4.027 0.380) 4.067 21.262 ( 2.803 3.958 -1.579) 5.101 21.742 ( 9.829 7.601 2.429) 12.661 22.188 ( 2.909 10.642 0.653) 11.052 23.111 ( 1.168 0.987 -11.216) 11.320 24.236 ( -16.799 -5.807 -6.378) 18.884 24.854 ( 1.205 -11.180 9.831) 14.936 24.974 ( -2.510 4.160 1.983) 5.248 25.583 ( 4.420 -2.006 0.838) 4.926 ======================= Grid point 149 (66/227) ======================= q-point: ( 0.40 -0.60 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -14.787 0.000 -2.537) 15.003 1.927 ( -4.867 0.000 5.342) 7.227 2.880 ( -18.950 0.000 15.830) 24.692 3.003 ( -1.314 0.000 6.209) 6.346 3.559 ( 15.757 -0.000 -10.355) 18.855 3.993 ( 3.745 -0.000 -13.984) 14.477 4.065 ( 8.117 -0.000 13.364) 15.636 4.558 ( -5.842 0.000 6.579) 8.799 4.682 ( -6.454 0.000 -2.950) 7.096 5.081 ( 6.898 -0.000 3.180) 7.595 5.536 ( 19.745 -0.000 3.025) 19.976 5.600 ( 7.554 -0.000 8.404) 11.300 5.878 ( 7.078 -0.000 -12.180) 14.087 6.116 ( 4.689 -0.000 -1.199) 4.840 6.402 ( -17.264 0.000 -10.188) 20.046 6.522 ( 7.872 -0.000 -5.807) 9.782 6.588 ( -2.024 0.000 7.395) 7.667 6.706 ( 4.342 -0.000 -2.054) 4.803 6.974 ( 2.463 -0.000 -9.017) 9.348 7.160 ( -11.828 0.000 18.076) 21.602 7.506 ( -7.061 0.000 -1.708) 7.265 7.765 ( 7.593 -0.000 3.799) 8.490 7.853 ( -6.146 0.000 -1.460) 6.317 8.295 ( -8.431 0.000 4.297) 9.463 8.683 ( 10.633 -0.000 14.935) 18.333 9.349 ( -10.391 0.000 -13.893) 17.349 9.969 ( 5.694 -0.000 0.394) 5.708 10.719 ( 11.573 -0.000 -4.253) 12.330 11.772 ( -1.043 0.000 -1.658) 1.959 12.173 ( 2.510 -0.000 -3.119) 4.003 12.632 ( -11.234 0.000 -0.752) 11.259 12.878 ( -2.198 0.000 3.646) 4.257 14.182 ( 3.423 -0.000 4.943) 6.013 14.336 ( 13.340 -0.000 -4.529) 14.088 14.541 ( -1.150 0.000 1.013) 1.533 14.543 ( -0.992 0.000 -3.341) 3.485 15.676 ( -0.092 0.000 -6.565) 6.565 15.846 ( -4.706 0.000 4.200) 6.308 20.072 ( -8.570 0.000 8.561) 12.113 21.319 ( -1.878 0.000 -2.444) 3.082 21.372 ( 3.589 -0.000 -4.314) 5.612 22.066 ( 5.762 -0.000 2.495) 6.279 22.597 ( -1.572 0.000 0.457) 1.638 23.028 ( 11.790 -0.000 -16.436) 20.227 24.191 ( -9.461 0.000 -0.788) 9.494 24.510 ( 13.386 -0.000 7.993) 15.591 25.254 ( -6.273 0.000 -2.463) 6.739 25.256 ( -2.563 0.000 6.402) 6.896 ======================= Grid point 151 (67/227) ======================= q-point: (-0.50 0.40 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -7.549 -0.585 2.989) 8.140 1.892 ( -4.320 1.642 6.989) 8.378 2.707 ( -11.396 6.855 14.464) 19.649 3.003 ( -3.459 7.590 11.764) 14.421 3.661 ( 8.904 1.439 -10.341) 13.721 3.974 ( 3.939 -0.863 -8.320) 9.245 4.199 ( 2.911 5.100 7.345) 9.403 4.551 ( -6.581 -4.756 9.956) 12.847 4.634 ( -0.332 -5.684 -2.079) 6.062 5.171 ( 3.741 1.873 -0.776) 4.255 5.682 ( 8.201 11.201 3.180) 14.242 5.824 ( 11.219 2.854 -0.325) 11.580 5.886 ( 7.143 3.008 -9.594) 12.333 5.988 ( -8.708 5.454 -10.931) 15.002 6.193 ( -1.023 -1.160 -1.126) 1.913 6.399 ( -10.730 13.048 2.510) 17.079 6.749 ( 6.554 -14.584 -1.055) 16.023 6.845 ( 7.484 -1.941 -2.234) 8.048 6.898 ( 2.384 12.866 5.564) 14.219 7.210 ( -5.097 -10.691 5.426) 13.027 7.356 ( -6.763 0.341 3.332) 7.547 7.822 ( -3.589 -11.154 -1.153) 11.774 7.883 ( 1.157 -4.064 3.317) 5.372 8.227 ( -4.560 0.211 3.392) 5.688 8.866 ( -2.115 -0.671 -1.658) 2.770 9.171 ( 1.337 1.080 1.391) 2.211 10.035 ( 3.280 1.676 0.709) 3.751 10.800 ( 7.358 4.996 -6.749) 11.165 11.788 ( 1.184 -4.585 1.633) 5.009 12.189 ( 3.791 -0.966 -5.312) 6.597 12.499 ( -8.352 -0.571 3.095) 8.925 12.859 ( -2.865 0.057 0.125) 2.868 14.186 ( 0.009 7.608 2.182) 7.915 14.467 ( 6.286 -0.937 -7.595) 9.903 14.529 ( -1.119 -0.759 -0.902) 1.625 14.574 ( 3.907 -5.491 1.303) 6.864 15.638 ( 2.936 2.706 -2.406) 4.662 15.785 ( -6.846 -0.154 0.358) 6.857 20.017 ( -6.749 -0.301 8.311) 10.710 21.271 ( 0.251 4.157 -0.144) 4.167 21.414 ( 3.080 -2.037 -2.344) 4.374 22.125 ( 1.439 0.496 -0.299) 1.551 22.537 ( -0.808 7.731 0.082) 7.774 23.105 ( 11.827 -0.573 -14.401) 18.644 24.092 ( -5.537 -2.702 1.352) 6.308 24.713 ( 6.909 -0.018 3.431) 7.714 25.145 ( -3.169 0.633 0.240) 3.240 25.270 ( -4.715 -2.493 4.674) 7.092 ======================= Grid point 152 (68/227) ======================= q-point: (-0.40 0.40 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 5.077 -0.045 12.180) 13.196 1.859 ( -2.379 3.965 9.300) 10.386 2.564 ( -9.482 12.463 19.123) 24.717 2.935 ( -0.012 9.408 7.916) 12.296 3.687 ( 5.287 1.426 -5.141) 7.511 3.994 ( 3.194 2.846 -3.280) 5.391 4.174 ( 1.541 8.390 4.515) 9.651 4.534 ( -9.016 -4.958 2.028) 10.487 4.739 ( -0.519 -10.110 -2.373) 10.398 5.149 ( 0.867 4.133 -1.094) 4.362 5.447 ( -17.235 12.866 -11.929) 24.595 5.713 ( 8.131 18.549 -2.301) 20.383 5.882 ( 2.730 3.692 -9.461) 10.517 5.947 ( -8.388 8.005 -4.929) 12.599 6.086 ( 12.007 5.412 3.400) 13.602 6.357 ( 6.945 -0.946 7.806) 10.492 6.751 ( -7.291 12.789 9.477) 17.508 6.912 ( 0.837 -1.971 -2.235) 3.095 7.000 ( 4.719 -12.415 -1.119) 13.328 7.289 ( 0.956 -6.195 2.678) 6.816 7.420 ( -2.781 -12.361 6.246) 14.126 7.938 ( -0.693 -11.461 0.565) 11.496 7.986 ( 1.141 -8.563 3.281) 9.241 8.187 ( -2.798 0.310 1.689) 3.283 8.649 ( -11.056 -0.749 -15.218) 18.825 9.344 ( 9.572 1.746 12.857) 16.123 10.028 ( -0.339 3.977 0.193) 3.996 10.737 ( 1.845 7.665 -8.744) 11.773 11.916 ( 0.731 -8.991 4.183) 9.943 12.255 ( 6.849 -1.894 -3.470) 7.908 12.441 ( -3.099 -0.810 4.440) 5.475 12.791 ( -3.078 0.906 -3.849) 5.011 14.068 ( -2.821 9.882 -0.072) 10.277 14.498 ( 1.189 -3.939 -6.115) 7.371 14.513 ( -1.056 -1.823 -2.747) 3.462 14.702 ( 3.781 -2.585 1.945) 4.976 15.635 ( -8.105 3.919 -3.057) 9.507 15.697 ( 7.752 1.003 0.035) 7.816 19.999 ( -4.197 -0.844 8.500) 9.517 21.238 ( 2.062 5.962 1.955) 6.605 21.464 ( 2.059 -1.069 -0.340) 2.344 22.081 ( -2.699 3.048 -5.072) 6.504 22.434 ( 1.644 10.972 2.237) 11.318 23.169 ( 7.816 -0.462 -12.548) 14.790 24.120 ( 1.222 -4.998 3.862) 6.433 24.711 ( -6.637 -0.794 -3.922) 7.750 25.185 ( 1.677 -2.167 3.942) 4.801 25.244 ( -2.323 -0.410 4.151) 4.774 ======================= Grid point 153 (69/227) ======================= q-point: (-0.30 0.40 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -6.106 8.392 13.132) 16.738 2.055 ( 10.917 -1.761 11.945) 16.278 2.437 ( -5.377 11.384 18.415) 22.308 2.920 ( 4.961 12.647 10.862) 17.394 3.744 ( 5.644 2.930 4.798) 7.966 3.843 ( -8.380 10.368 -2.019) 13.483 4.219 ( 7.851 4.008 3.278) 9.405 4.418 ( -10.674 -0.925 -11.553) 15.756 4.687 ( -7.406 4.853 3.369) 9.474 4.936 ( -11.659 19.319 -12.963) 26.023 5.151 ( 0.274 -2.252 -2.905) 3.686 5.497 ( -2.992 5.153 -2.104) 6.319 5.792 ( 5.612 6.727 -9.387) 12.840 5.956 ( 9.536 2.802 -4.994) 11.123 6.267 ( 11.143 1.385 7.633) 13.577 6.473 ( 2.174 3.503 2.093) 4.623 6.575 ( -9.189 7.191 10.173) 15.480 6.943 ( -0.498 -6.055 3.241) 6.886 7.087 ( -1.764 0.505 -0.102) 1.838 7.420 ( -2.852 -10.974 6.510) 13.074 7.564 ( -1.553 -14.703 0.278) 14.788 7.970 ( -9.969 0.182 -2.207) 10.212 8.061 ( -1.153 -8.268 -0.116) 8.348 8.203 ( 2.292 -3.345 -0.524) 4.089 8.541 ( 2.092 -8.932 -5.216) 10.553 9.516 ( 7.244 3.918 9.157) 12.316 9.956 ( -1.376 5.931 0.812) 6.143 10.593 ( -1.883 5.780 -9.840) 11.566 11.998 ( -5.644 -5.042 5.188) 9.176 12.281 ( -6.341 -3.279 -2.928) 7.716 12.566 ( 12.414 -1.640 4.749) 13.392 12.756 ( 4.927 -2.104 -5.133) 7.419 13.902 ( -4.149 9.574 -0.426) 10.443 14.477 ( -1.626 -1.465 -4.837) 5.309 14.532 ( -0.676 -6.297 -4.508) 7.774 14.763 ( 0.693 0.289 3.231) 3.317 15.400 ( -8.401 9.229 -6.178) 13.925 15.853 ( 11.629 -1.125 0.226) 11.686 20.027 ( -2.112 -1.723 8.772) 9.186 21.226 ( 3.409 6.621 3.166) 8.092 21.471 ( -1.010 2.508 -0.038) 2.704 21.938 ( -1.577 6.542 -5.922) 8.965 22.390 ( 3.636 8.156 3.561) 9.614 23.169 ( 3.313 -0.160 -11.583) 12.049 24.260 ( 2.611 -5.221 3.498) 6.806 24.555 ( -10.373 -3.724 -3.685) 11.621 25.141 ( -5.809 2.209 3.576) 7.171 25.370 ( 6.776 -3.636 3.011) 8.259 ======================= Grid point 154 (70/227) ======================= q-point: (-0.20 0.40 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -7.398 9.082 17.924) 21.412 2.250 ( 1.589 -3.842 6.151) 7.424 2.431 ( 0.942 5.529 14.766) 15.795 2.880 ( 2.397 21.529 11.062) 24.323 3.537 ( -13.107 9.518 1.916) 16.311 3.870 ( -1.830 6.702 7.059) 9.904 4.050 ( 1.498 12.240 -1.351) 12.405 4.337 ( 3.141 -1.388 -3.774) 5.102 4.450 ( -3.193 19.690 -10.190) 22.399 4.744 ( 7.719 0.528 4.603) 9.003 5.185 ( 0.762 -8.569 -6.952) 11.061 5.497 ( -0.095 -3.433 1.791) 3.874 5.748 ( 10.274 11.501 -8.538) 17.627 6.019 ( 4.355 -3.183 -9.164) 10.634 6.364 ( -5.614 5.040 -6.488) 9.951 6.414 ( -8.127 4.548 15.532) 18.110 6.465 ( 0.097 1.079 3.428) 3.595 7.012 ( 0.459 7.363 1.637) 7.557 7.086 ( -0.033 -10.371 8.805) 13.605 7.466 ( -7.310 -5.830 4.887) 10.551 7.681 ( -5.802 -7.877 -0.521) 9.797 7.747 ( -10.095 -4.603 -7.014) 13.126 8.163 ( 0.802 -6.847 3.508) 7.735 8.287 ( 2.716 -5.673 -2.119) 6.637 8.727 ( 7.332 -8.913 1.261) 11.610 9.604 ( 6.348 5.331 4.662) 9.511 9.891 ( 0.307 5.610 2.230) 6.045 10.426 ( -4.739 2.337 -10.817) 12.038 11.931 ( -10.585 0.145 3.054) 11.018 12.149 ( -10.328 -1.911 -3.093) 10.949 12.805 ( 11.783 -5.589 1.759) 13.160 12.947 ( 14.705 -4.423 -0.098) 15.356 13.732 ( -4.876 8.569 -0.021) 9.859 14.425 ( -1.794 -0.163 -5.314) 5.611 14.559 ( -2.126 -7.376 -4.199) 8.749 14.777 ( -1.682 0.622 5.495) 5.780 15.123 ( -4.486 12.725 -8.000) 15.686 16.039 ( 11.575 -0.996 -1.320) 11.693 20.087 ( -1.640 -2.573 8.902) 9.410 21.216 ( 1.496 7.116 2.305) 7.628 21.378 ( -1.831 5.675 -1.487) 6.145 21.877 ( 5.117 4.175 -1.247) 6.721 22.388 ( 4.138 7.316 3.148) 8.975 23.123 ( 1.630 0.191 -11.477) 11.593 24.153 ( -16.542 -1.304 -6.772) 17.922 24.629 ( 4.235 -9.116 7.851) 12.755 25.058 ( -3.544 3.275 2.198) 5.303 25.516 ( 4.807 -3.744 1.667) 6.317 ======================= Grid point 155 (71/227) ======================= q-point: (-0.10 0.40 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -6.145 3.174 22.729) 23.758 2.301 ( -1.006 -0.093 3.220) 3.375 2.439 ( -6.705 6.205 11.079) 14.360 2.698 ( 0.377 15.865 5.005) 16.640 3.234 ( -13.634 6.570 -2.445) 15.331 3.740 ( 3.126 7.838 -1.848) 8.638 4.037 ( -2.167 11.706 5.044) 12.929 4.290 ( 9.539 3.711 5.793) 11.761 4.486 ( 13.462 0.424 -1.485) 13.550 4.961 ( 15.643 0.260 6.319) 16.873 5.274 ( 3.316 -9.869 -5.765) 11.900 5.548 ( 1.445 -3.127 -0.204) 3.451 5.699 ( 8.015 14.076 -5.983) 17.268 5.980 ( -7.817 -2.160 -9.226) 12.284 6.153 ( -5.915 3.229 -8.049) 10.498 6.187 ( -18.885 4.033 5.204) 20.000 6.554 ( 2.916 -1.853 8.395) 9.078 6.992 ( 4.672 7.385 0.773) 8.773 7.253 ( -2.084 -10.438 8.309) 13.503 7.443 ( -5.745 1.703 -4.485) 7.485 7.533 ( -8.979 -4.795 9.293) 13.784 7.751 ( -5.104 -8.523 -3.907) 10.675 8.261 ( 0.758 -3.911 3.294) 5.170 8.335 ( -0.974 -2.381 -4.084) 4.826 8.915 ( 4.490 -4.937 2.440) 7.105 9.691 ( 9.139 3.405 3.065) 10.223 9.871 ( 1.658 2.213 0.910) 2.911 10.254 ( -6.995 -0.706 -11.385) 13.381 11.762 ( -10.395 1.499 0.339) 10.508 12.017 ( -8.106 -1.902 -1.019) 8.389 13.074 ( 11.593 -7.874 2.786) 14.289 13.185 ( 11.215 -1.548 -0.292) 11.326 13.566 ( -5.751 7.167 0.333) 9.195 14.354 ( -0.381 3.493 -5.575) 6.590 14.562 ( -3.418 -4.684 -3.799) 6.933 14.757 ( -5.280 2.078 4.829) 7.451 14.956 ( 4.445 4.446 -4.438) 7.696 16.179 ( 9.163 1.403 -3.052) 9.759 20.149 ( -2.687 -2.832 9.213) 10.006 21.127 ( -1.862 5.831 -0.218) 6.125 21.342 ( 3.217 3.194 -0.560) 4.568 21.945 ( 7.713 2.225 0.193) 8.030 22.389 ( 5.367 9.131 4.231) 11.406 23.065 ( 2.205 0.472 -12.128) 12.336 23.863 ( -17.727 -3.464 -6.522) 19.204 24.826 ( -0.576 -6.416 9.490) 11.469 25.008 ( 0.971 1.549 -0.446) 1.882 25.611 ( 1.826 -2.257 1.414) 3.229 ======================= Grid point 161 (72/227) ======================= q-point: (-0.50 0.50 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 5.727 -0.000 12.701) 13.933 1.900 ( -2.415 -0.000 7.036) 7.439 2.730 ( -5.943 -0.000 18.601) 19.528 3.065 ( -4.552 -0.000 11.399) 12.275 3.651 ( 1.974 -0.000 -14.739) 14.871 4.018 ( 8.017 -0.000 -2.895) 8.524 4.308 ( -4.110 -0.000 11.185) 11.916 4.478 ( -5.738 -0.000 3.428) 6.684 4.577 ( 1.720 -0.000 -1.614) 2.359 5.182 ( -1.457 -0.000 -3.675) 3.954 5.592 ( -14.679 -0.000 -11.374) 18.570 5.891 ( 6.557 -0.000 -12.848) 14.425 6.012 ( 3.154 -0.000 -6.063) 6.834 6.116 ( 15.000 0.000 4.064) 15.541 6.180 ( 0.529 0.000 -0.462) 0.703 6.308 ( -9.052 -0.000 3.986) 9.891 6.746 ( 4.768 -0.000 0.630) 4.809 6.858 ( -6.119 -0.000 -0.625) 6.150 7.086 ( -3.887 0.000 12.253) 12.855 7.164 ( 6.214 -0.000 -1.440) 6.379 7.287 ( 1.283 -0.000 6.036) 6.171 7.728 ( 1.231 -0.000 0.002) 1.231 7.885 ( -0.162 -0.000 6.018) 6.020 8.191 ( -3.831 -0.000 1.756) 4.214 8.641 ( -12.859 -0.000 -16.343) 20.795 9.363 ( 10.209 -0.000 12.943) 16.485 10.074 ( -0.092 -0.000 0.760) 0.766 10.837 ( 0.708 -0.000 -9.467) 9.493 11.803 ( 2.086 -0.000 5.500) 5.882 12.232 ( 5.485 -0.000 -3.603) 6.563 12.433 ( -2.113 -0.000 4.153) 4.660 12.803 ( -3.300 -0.000 -4.142) 5.296 14.210 ( -3.764 -0.000 -0.598) 3.811 14.417 ( -0.932 -0.000 -6.955) 7.017 14.496 ( -1.094 -0.000 -2.733) 2.944 14.672 ( 7.172 -0.000 3.053) 7.795 15.694 ( -5.218 0.000 -2.959) 5.999 15.695 ( 4.684 -0.000 0.566) 4.718 19.990 ( -4.170 -0.000 7.993) 9.015 21.326 ( 2.063 0.000 2.892) 3.552 21.432 ( 2.827 -0.000 -1.138) 3.047 22.112 ( -1.925 -0.000 -3.167) 3.706 22.573 ( -0.321 -0.000 -0.082) 0.331 23.163 ( 8.651 -0.000 -13.350) 15.908 24.059 ( 0.799 -0.000 4.618) 4.687 24.701 ( -7.650 -0.000 -4.342) 8.796 25.160 ( 4.109 -0.000 4.544) 6.126 25.238 ( -3.718 -0.000 4.112) 5.543 ======================= Grid point 163 (73/227) ======================= q-point: (-0.40 0.50 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -1.379 3.279 7.878) 8.643 2.002 ( 6.684 -2.236 12.277) 14.156 2.728 ( -7.527 11.025 22.159) 25.870 3.112 ( 7.337 4.378 11.048) 13.966 3.595 ( -1.695 -9.356 -12.311) 15.556 4.062 ( -5.081 8.773 0.049) 10.138 4.232 ( -4.885 -5.408 1.853) 7.519 4.440 ( 2.799 5.589 0.602) 6.280 4.671 ( 4.221 -4.162 2.131) 6.299 5.124 ( -5.911 -1.100 0.478) 6.031 5.272 ( -8.944 8.071 -14.133) 18.571 5.736 ( -19.483 9.954 -4.869) 22.414 5.894 ( 5.660 2.199 -9.145) 10.977 6.076 ( 3.780 9.234 -5.830) 11.556 6.304 ( 11.566 1.896 4.448) 12.536 6.507 ( 10.627 -6.638 3.623) 13.043 6.690 ( -10.996 2.436 -1.600) 11.376 6.854 ( -2.195 -7.859 5.701) 9.954 7.007 ( -2.829 6.781 5.525) 9.193 7.269 ( -2.080 -11.986 3.549) 12.672 7.412 ( 7.760 7.749 5.784) 12.398 7.830 ( 1.799 -10.326 0.410) 10.489 7.969 ( -0.883 -1.226 7.685) 7.832 8.140 ( -2.117 -1.606 -1.873) 3.251 8.371 ( -7.769 -4.511 -13.928) 16.574 9.578 ( 8.544 1.424 9.882) 13.141 10.051 ( -1.941 2.286 2.022) 3.617 10.711 ( -4.272 3.490 -10.915) 12.230 11.898 ( 0.584 -2.855 7.010) 7.591 12.227 ( -4.063 -1.384 -3.001) 5.237 12.553 ( 12.379 0.060 5.268) 13.453 12.721 ( -1.235 -0.885 -7.059) 7.221 14.084 ( -5.822 5.881 -2.530) 8.653 14.385 ( -2.045 -4.984 -5.630) 7.793 14.462 ( -0.803 -0.596 -3.868) 3.995 14.771 ( 1.884 0.265 5.470) 5.792 15.568 ( -3.290 5.033 -7.328) 9.479 15.806 ( 7.119 -2.304 2.450) 7.873 20.002 ( -2.002 -0.572 7.543) 7.825 21.362 ( 3.345 4.824 4.158) 7.194 21.478 ( 1.586 -1.455 0.840) 2.311 22.027 ( -3.887 1.768 -5.208) 6.735 22.545 ( 0.614 4.305 0.221) 4.354 23.168 ( 4.206 0.014 -12.408) 13.101 24.171 ( 6.164 -2.299 6.349) 9.143 24.501 ( -13.320 -1.169 -6.088) 14.692 25.190 ( -3.823 2.034 3.230) 5.403 25.292 ( 5.223 -2.915 4.124) 7.265 ======================= Grid point 164 (74/227) ======================= q-point: (-0.30 0.50 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -3.787 7.194 9.213) 12.287 2.162 ( 0.732 -3.834 8.211) 9.092 2.615 ( -6.827 10.325 16.930) 20.972 3.228 ( 4.341 10.095 7.001) 13.030 3.695 ( -5.211 -6.738 -3.926) 9.379 3.767 ( -6.843 -1.047 2.013) 7.209 4.239 ( 0.680 3.927 -3.792) 5.501 4.423 ( 1.112 7.731 0.820) 7.853 4.740 ( -2.223 7.709 2.432) 8.384 4.927 ( 1.976 8.122 -5.962) 10.267 5.087 ( -4.480 1.713 -2.736) 5.522 5.448 ( -5.881 -1.203 0.430) 6.019 5.901 ( 6.228 2.786 -7.242) 9.950 5.991 ( -1.050 2.113 -7.388) 7.756 6.457 ( 4.147 2.757 -3.950) 6.356 6.486 ( -4.576 1.256 -0.827) 4.816 6.627 ( -2.589 7.726 8.886) 12.057 6.903 ( -5.271 -2.138 5.740) 8.081 7.027 ( 1.376 -9.214 4.466) 10.332 7.394 ( -1.812 -10.815 -0.140) 10.966 7.427 ( 3.060 6.146 5.102) 8.554 7.825 ( -11.532 6.672 -0.244) 13.325 7.974 ( 0.652 -9.971 3.470) 10.578 8.159 ( 1.606 -4.600 -4.407) 6.570 8.468 ( 7.340 -13.886 0.302) 15.709 9.712 ( 6.674 3.665 5.010) 9.115 10.008 ( -1.373 4.231 3.558) 5.696 10.512 ( -6.049 4.169 -11.220) 13.411 11.921 ( -6.124 -0.622 3.895) 7.284 12.124 ( -7.747 -0.607 -3.859) 8.676 12.700 ( 6.700 -3.380 -3.422) 8.248 12.857 ( 15.118 -3.208 4.245) 16.027 13.903 ( -6.469 6.475 -2.480) 9.483 14.374 ( -2.963 -5.465 -4.273) 7.543 14.437 ( -0.348 -1.697 -4.226) 4.567 14.799 ( -2.619 0.985 7.155) 7.682 15.387 ( -1.229 10.192 -9.999) 14.331 15.976 ( 8.252 -4.094 1.813) 9.389 20.042 ( -1.054 -1.414 6.943) 7.163 21.377 ( 3.120 6.692 4.312) 8.550 21.482 ( -1.634 2.949 0.249) 3.381 21.928 ( -1.230 0.664 -3.723) 3.976 22.515 ( 1.391 3.969 0.648) 4.256 23.127 ( 2.081 0.191 -12.000) 12.180 24.175 ( -12.200 2.914 -4.651) 13.378 24.444 ( 4.576 -7.366 6.135) 10.623 25.124 ( -3.604 2.643 2.090) 4.934 25.425 ( 4.147 -4.003 2.679) 6.356 ======================= Grid point 165 (75/227) ======================= q-point: (-0.20 0.50 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -6.709 7.940 14.036) 17.466 2.242 ( -1.426 -3.908 5.130) 6.605 2.552 ( -5.605 4.970 14.030) 15.905 3.072 ( -10.513 12.620 0.727) 16.442 3.363 ( -16.125 4.394 -6.605) 17.971 3.912 ( 0.196 3.459 0.368) 3.484 4.196 ( -4.466 3.218 -5.784) 7.984 4.352 ( 10.843 6.649 9.243) 15.724 4.518 ( -2.275 5.719 -5.791) 8.451 5.070 ( 1.814 -5.733 1.043) 6.103 5.088 ( 17.782 5.158 4.874) 19.146 5.488 ( 2.813 -3.605 2.973) 5.455 5.848 ( -3.010 1.724 -9.014) 9.659 5.949 ( 1.836 -0.943 -3.123) 3.744 6.246 ( -12.668 3.563 -10.134) 16.609 6.366 ( -15.326 7.825 -2.172) 17.345 6.576 ( 4.725 6.253 8.035) 11.225 6.946 ( -4.047 -13.229 3.819) 14.351 7.175 ( 5.749 4.035 3.064) 7.663 7.419 ( 0.432 -0.906 9.820) 9.871 7.518 ( 0.480 -8.526 -5.632) 10.229 7.586 ( -9.924 7.138 3.722) 12.779 8.125 ( 1.234 -8.703 4.878) 10.053 8.232 ( 2.477 -5.865 -2.408) 6.807 8.737 ( 7.006 -11.016 2.513) 13.295 9.785 ( 7.169 4.115 1.113) 8.341 9.960 ( -0.917 5.062 2.174) 5.585 10.295 ( -6.780 3.800 -11.071) 13.526 11.796 ( -9.947 1.380 -0.778) 10.072 11.993 ( -6.517 -0.272 -2.865) 7.124 12.883 ( 9.688 -8.342 -0.424) 12.792 13.139 ( 13.428 -2.291 4.228) 14.263 13.719 ( -7.010 6.071 -1.935) 9.473 14.361 ( -1.798 -3.250 -2.996) 4.771 14.435 ( -0.796 -4.006 -3.298) 5.249 14.783 ( -4.446 0.997 7.136) 8.467 15.184 ( 0.998 12.430 -9.905) 15.925 16.146 ( 7.310 -3.844 0.147) 8.260 20.091 ( -1.465 -2.185 6.595) 7.100 21.308 ( -3.406 9.635 0.660) 10.241 21.426 ( 1.352 3.851 1.242) 4.267 21.948 ( 3.516 -2.223 -0.464) 4.186 22.502 ( 0.465 1.601 0.024) 1.667 23.070 ( 1.945 0.132 -12.323) 12.477 23.890 ( -13.540 5.139 -4.012) 15.028 24.663 ( 4.751 -7.344 8.134) 11.945 25.060 ( -1.918 2.558 0.158) 3.201 25.536 ( 2.460 -4.129 1.899) 5.167 ======================= Grid point 166 (76/227) ======================= q-point: (-0.10 0.50 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -7.238 3.095 20.393) 21.860 2.280 ( -2.757 -3.314 1.720) 4.642 2.471 ( -8.641 7.164 10.622) 15.454 2.767 ( -9.629 8.736 1.694) 13.112 3.101 ( -8.360 0.910 -6.663) 10.729 3.818 ( 0.007 6.183 -7.551) 9.760 4.000 ( -6.730 1.754 -1.777) 7.179 4.408 ( -1.783 -1.566 -4.478) 5.068 4.656 ( 11.459 -0.632 8.087) 14.040 5.208 ( 5.653 -10.057 -1.671) 11.657 5.371 ( 20.566 6.226 8.012) 22.933 5.580 ( 0.742 2.500 -0.314) 2.627 5.767 ( 3.871 -2.665 -1.553) 4.949 5.886 ( -16.153 0.875 -5.299) 17.022 5.966 ( -14.858 12.691 -3.831) 19.912 6.011 ( -4.093 -3.797 -0.604) 5.616 6.690 ( 9.246 2.620 6.043) 11.352 7.031 ( -5.018 -7.601 -0.870) 9.149 7.170 ( -0.693 1.034 2.511) 2.802 7.363 ( -8.826 7.453 2.821) 11.891 7.553 ( -1.438 -2.834 6.971) 7.661 7.592 ( 4.883 -3.354 -0.842) 5.984 8.256 ( 2.334 -4.647 3.471) 6.252 8.294 ( 0.117 -1.735 -0.084) 1.741 8.928 ( 3.194 -5.893 2.197) 7.054 9.832 ( 1.432 1.579 -3.549) 4.140 9.937 ( 6.542 2.592 -0.595) 7.062 10.077 ( -7.408 3.047 -9.697) 12.577 11.651 ( -6.053 0.587 -0.027) 6.082 11.906 ( -3.648 -0.791 -2.021) 4.245 13.133 ( 8.724 -10.296 1.315) 13.558 13.334 ( 8.025 0.776 2.169) 8.349 13.531 ( -8.047 5.637 -1.250) 9.904 14.357 ( 1.237 -0.290 -3.084) 3.336 14.453 ( -1.144 -4.377 -1.390) 4.733 14.745 ( -3.615 2.083 4.226) 5.938 15.040 ( 2.396 6.850 -4.776) 8.688 16.265 ( 4.855 -1.582 -1.662) 5.369 20.135 ( -2.558 -2.639 7.131) 8.023 21.157 ( -3.065 6.319 -0.403) 7.035 21.420 ( 1.632 3.807 1.572) 4.430 22.027 ( 3.709 -1.172 -1.098) 4.042 22.485 ( -2.967 -2.810 -2.019) 4.558 23.018 ( 2.949 -0.229 -13.183) 13.511 23.660 ( -5.524 6.394 1.155) 8.528 24.819 ( -1.011 -3.724 8.137) 9.005 25.019 ( 0.463 0.379 -2.772) 2.836 25.615 ( 1.016 -2.732 2.248) 3.681 ======================= Grid point 173 (77/227) ======================= q-point: (-0.40 0.60 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.264 -0.000 5.368) 5.375 2.103 ( -1.354 0.000 10.461) 10.548 2.780 ( -13.152 0.000 18.831) 22.969 3.357 ( -6.709 0.000 -14.468) 15.948 3.472 ( 20.575 -0.000 16.723) 26.514 3.831 ( -22.203 0.000 -5.602) 22.899 4.263 ( 8.884 -0.000 -2.397) 9.201 4.534 ( 1.481 -0.000 3.176) 3.504 4.827 ( 11.230 -0.000 7.719) 13.627 4.963 ( -11.339 0.000 -6.808) 13.226 5.197 ( -0.202 0.000 -2.760) 2.768 5.421 ( -21.712 0.000 -3.954) 22.069 5.920 ( 3.456 -0.000 -6.579) 7.432 6.098 ( -3.449 0.000 -2.814) 4.451 6.382 ( 0.251 -0.000 -2.176) 2.191 6.532 ( -5.521 0.000 -11.340) 12.613 6.676 ( 4.824 -0.000 2.531) 5.448 6.870 ( 7.171 -0.000 10.281) 12.535 7.035 ( -8.782 0.000 6.770) 11.089 7.160 ( 0.275 -0.000 1.150) 1.182 7.647 ( 6.116 -0.000 5.679) 8.346 7.763 ( -1.453 0.000 1.665) 2.210 7.947 ( -10.939 0.000 6.450) 12.699 8.174 ( 0.165 -0.000 -9.538) 9.540 8.180 ( 9.893 -0.000 0.839) 9.929 9.754 ( 6.860 -0.000 5.241) 8.633 10.059 ( -1.591 0.000 4.476) 4.751 10.565 ( -6.829 0.000 -11.262) 13.170 11.914 ( -3.856 0.000 4.336) 5.802 12.116 ( -6.116 0.000 -3.916) 7.263 12.663 ( 2.957 -0.000 -6.794) 7.410 12.819 ( 15.984 -0.000 6.787) 17.365 13.990 ( -7.642 0.000 -4.416) 8.827 14.290 ( -2.663 0.000 -3.150) 4.125 14.424 ( 0.005 -0.000 -4.267) 4.267 14.811 ( -2.963 0.000 7.868) 8.407 15.522 ( 1.579 -0.000 -12.807) 12.904 15.909 ( 5.662 -0.000 4.996) 7.551 20.026 ( -0.902 0.000 6.265) 6.330 21.485 ( 3.593 -0.000 5.750) 6.780 21.491 ( 0.676 -0.000 1.325) 1.487 21.930 ( -5.312 0.000 -5.027) 7.313 22.560 ( -0.685 0.000 -1.662) 1.798 23.130 ( 2.329 -0.000 -12.319) 12.537 24.245 ( -13.693 0.000 -5.258) 14.668 24.326 ( 8.610 -0.000 7.614) 11.493 25.161 ( -3.680 0.000 1.740) 4.071 25.370 ( 3.807 -0.000 3.413) 5.113 ======================= Grid point 175 (78/227) ======================= q-point: (-0.30 -0.40 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -2.711 6.776 6.324) 9.657 2.143 ( -4.591 -4.542 8.504) 10.678 2.671 ( -11.306 4.621 15.209) 19.506 3.164 ( -10.218 -2.407 -9.921) 14.444 3.450 ( -18.429 3.625 -8.133) 20.467 3.843 ( 10.372 -4.033 3.219) 11.585 4.400 ( 9.866 6.594 5.056) 12.899 4.503 ( -1.629 7.554 1.413) 7.856 4.690 ( -9.857 7.757 -6.675) 14.208 4.914 ( -10.529 -7.257 2.379) 13.008 5.198 ( 9.114 2.918 5.724) 11.151 5.363 ( 7.761 -5.550 2.305) 9.816 5.908 ( -1.883 -1.647 -3.034) 3.932 5.966 ( -4.324 7.193 -2.167) 8.668 6.297 ( -12.822 0.781 -6.613) 14.448 6.404 ( -5.572 -1.259 -10.573) 12.017 6.599 ( -8.784 -9.007 -3.269) 12.999 6.886 ( -2.216 10.296 3.047) 10.964 7.155 ( 12.070 -3.263 4.963) 13.452 7.295 ( 7.884 -6.920 2.656) 10.821 7.602 ( -3.919 10.504 9.240) 14.528 7.782 ( -8.011 6.061 5.435) 11.421 7.884 ( 1.109 -9.823 3.517) 10.493 8.172 ( 6.851 1.807 -2.597) 7.546 8.443 ( 8.395 -13.444 2.966) 16.125 9.851 ( 5.346 1.551 -0.368) 5.578 10.062 ( -0.558 2.984 4.642) 5.547 10.374 ( -6.915 2.284 -10.292) 12.608 11.819 ( -8.886 0.584 -1.596) 9.047 11.996 ( -5.834 0.226 -4.196) 7.190 12.739 ( 8.194 -3.757 -2.323) 9.308 13.099 ( 14.005 -1.037 6.652) 15.539 13.823 ( -7.912 2.832 -4.602) 9.581 14.253 ( -3.576 -3.690 -0.783) 5.198 14.405 ( 1.004 -0.262 -3.885) 4.021 14.802 ( -4.809 0.508 7.889) 9.253 15.423 ( 2.781 7.109 -13.838) 15.804 16.043 ( 4.671 -3.940 4.357) 7.505 20.057 ( -0.882 -0.792 5.130) 5.265 21.489 ( -1.289 2.086 0.598) 2.524 21.523 ( 1.255 7.342 4.587) 8.748 21.854 ( -2.950 -4.996 -1.799) 6.074 22.507 ( -4.195 -0.298 -4.127) 5.892 23.074 ( 1.988 0.158 -12.657) 12.813 24.022 ( -8.971 4.629 -1.640) 10.227 24.524 ( 7.034 -4.134 7.432) 11.036 25.113 ( -2.414 1.713 0.519) 3.005 25.449 ( 2.080 -2.827 2.292) 4.192 ======================= Grid point 176 (79/227) ======================= q-point: (-0.20 -0.40 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -7.925 7.328 13.146) 17.010 2.178 ( -5.091 -5.716 3.952) 8.614 2.580 ( -9.024 3.157 13.209) 16.306 2.945 ( -13.316 2.295 -3.684) 14.006 3.103 ( -13.904 2.619 -10.469) 17.600 3.879 ( -3.154 -1.821 -12.514) 13.033 4.165 ( -10.482 13.505 0.223) 17.097 4.427 ( -6.201 3.588 -5.155) 8.826 4.689 ( 8.622 2.803 9.157) 12.886 4.972 ( 0.819 -11.096 1.987) 11.302 5.397 ( 9.245 -5.346 8.501) 13.649 5.607 ( 12.874 1.144 2.927) 13.252 5.813 ( -2.966 7.080 -1.822) 7.890 5.874 ( -3.755 -2.708 -1.063) 4.750 5.976 ( -14.729 2.728 -6.626) 16.380 6.134 ( -15.596 3.011 -8.323) 17.933 6.691 ( -0.216 -16.402 -2.653) 16.616 6.842 ( 6.103 7.047 2.508) 9.654 7.259 ( -0.194 2.581 0.410) 2.621 7.478 ( 5.195 -1.035 -1.914) 5.632 7.531 ( -8.377 2.738 15.655) 17.965 7.660 ( 5.871 10.269 0.844) 11.859 8.085 ( 4.293 -9.636 9.843) 14.428 8.251 ( 5.306 -0.042 0.284) 5.314 8.718 ( 5.475 -12.349 3.075) 13.854 9.868 ( 1.528 1.654 -6.969) 7.324 10.036 ( 2.082 5.122 0.036) 5.530 10.175 ( -6.112 4.322 -7.651) 10.704 11.667 ( -7.140 0.652 -2.117) 7.476 11.899 ( -3.192 -0.088 -3.189) 4.513 12.923 ( 8.228 -7.535 0.003) 11.156 13.328 ( 9.583 -0.762 5.208) 10.933 13.638 ( -8.201 3.594 -4.071) 9.836 14.255 ( -3.286 -5.984 0.764) 6.869 14.409 ( 2.149 -0.419 -2.613) 3.408 14.778 ( -3.710 0.997 6.338) 7.411 15.266 ( 1.753 10.622 -11.246) 15.568 16.179 ( 3.291 -5.156 2.140) 6.481 20.086 ( -1.549 -1.605 4.765) 5.261 21.348 ( -5.063 9.730 -1.221) 11.036 21.511 ( 0.934 4.287 4.344) 6.174 21.926 ( 1.167 -8.088 1.004) 8.233 22.382 ( -10.677 -4.229 -7.409) 13.667 23.015 ( 2.476 0.030 -13.376) 13.603 23.870 ( -0.863 9.815 3.342) 10.404 24.708 ( 3.447 -5.039 7.388) 9.584 25.059 ( -1.079 2.535 -2.019) 3.416 25.528 ( 1.247 -4.486 1.968) 5.055 ======================= Grid point 177 (80/227) ======================= q-point: (-0.10 -0.40 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -10.995 2.674 22.065) 24.798 2.144 ( -9.498 -5.671 -1.171) 11.124 2.497 ( -6.359 3.973 10.081) 12.564 2.702 ( -9.563 5.709 -0.600) 11.154 2.893 ( -7.106 -5.530 -8.806) 12.594 3.707 ( -7.964 -3.853 -16.751) 18.944 3.922 ( -8.105 5.599 -1.497) 9.963 4.304 ( -4.021 0.798 -2.480) 4.791 4.753 ( -7.657 -5.383 3.985) 10.173 5.114 ( -1.201 -11.913 -4.505) 12.793 5.507 ( -7.146 4.185 -3.953) 9.176 5.679 ( 0.378 6.738 -4.191) 7.944 5.709 ( 6.347 -3.751 8.696) 11.401 5.803 ( -4.196 1.474 4.745) 6.503 5.919 ( -1.229 -0.048 -4.322) 4.494 6.032 ( 14.794 1.494 9.014) 17.388 6.808 ( -8.014 -11.987 2.911) 14.710 6.940 ( 13.958 3.568 -1.692) 14.506 7.175 ( -6.298 3.713 5.568) 9.190 7.380 ( -5.418 9.856 0.693) 11.268 7.519 ( 1.315 0.779 -1.616) 2.224 7.737 ( 5.031 0.435 5.272) 7.300 8.305 ( 5.946 -1.202 7.443) 9.602 8.318 ( 3.453 0.456 2.485) 4.279 8.903 ( 1.572 -7.636 2.015) 8.052 9.746 ( -5.787 1.411 -11.040) 12.544 9.929 ( -4.918 4.074 -10.629) 12.400 10.117 ( 7.936 2.448 -1.361) 8.415 11.600 ( -1.222 -0.570 1.155) 1.776 11.870 ( 1.549 -0.173 -1.369) 2.074 13.133 ( 5.979 -10.183 0.805) 11.837 13.436 ( -7.168 3.394 -1.416) 8.057 13.460 ( 1.752 2.220 1.302) 3.113 14.303 ( -0.772 -6.993 0.304) 7.042 14.444 ( 3.496 -0.536 -0.823) 3.631 14.757 ( -1.601 2.018 3.904) 4.677 15.108 ( 0.176 8.205 -5.680) 9.980 16.270 ( 1.054 -3.584 -0.320) 3.749 20.114 ( -2.434 -2.346 5.690) 6.619 21.173 ( -4.092 6.706 -0.686) 7.885 21.498 ( -0.215 4.697 4.328) 6.391 22.028 ( 0.580 -3.160 -0.671) 3.282 22.211 ( -13.803 -11.922 -8.881) 20.286 22.968 ( 3.648 -0.680 -14.213) 14.689 23.839 ( 7.910 11.420 7.968) 16.015 24.823 ( -1.283 -2.031 7.445) 7.823 24.994 ( -0.744 1.034 -5.858) 5.995 25.611 ( 1.092 -4.015 2.640) 4.927 ======================= Grid point 185 (81/227) ======================= q-point: (-0.30 -0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -1.503 0.000 -0.631) 1.630 2.044 ( -13.289 0.000 14.777) 19.874 2.621 ( -10.979 0.000 13.385) 17.312 2.918 ( -10.919 0.000 -8.529) 13.855 3.175 ( -13.146 0.000 -8.924) 15.889 3.837 ( -3.658 0.000 -13.511) 13.998 4.432 ( -10.576 0.000 -5.013) 11.704 4.480 ( -18.324 0.000 7.231) 19.699 4.687 ( 0.788 -0.000 -3.594) 3.680 4.808 ( 8.837 -0.000 10.643) 13.834 5.304 ( 5.390 -0.000 6.552) 8.484 5.623 ( 15.231 -0.000 2.647) 15.459 5.830 ( 0.014 -0.000 -0.722) 0.722 5.886 ( -12.041 0.000 1.731) 12.165 6.086 ( -13.170 0.000 -5.161) 14.145 6.258 ( -12.001 0.000 -8.833) 14.902 6.331 ( 2.191 -0.000 -6.456) 6.818 6.959 ( 5.149 -0.000 -5.422) 7.478 7.269 ( 8.180 -0.000 0.242) 8.183 7.471 ( 6.558 -0.000 2.054) 6.873 7.571 ( -16.742 0.000 18.542) 24.982 7.835 ( 1.077 -0.000 -4.707) 4.829 7.933 ( 12.186 -0.000 16.276) 20.332 8.306 ( 6.774 -0.000 0.590) 6.799 8.492 ( 7.068 -0.000 4.458) 8.357 9.890 ( 2.566 -0.000 -7.971) 8.373 10.105 ( 0.379 -0.000 1.207) 1.265 10.229 ( -5.953 0.000 -7.226) 9.362 11.675 ( -7.484 0.000 -3.196) 8.138 11.897 ( -3.425 0.000 -3.855) 5.157 12.833 ( 8.166 -0.000 -0.367) 8.175 13.317 ( 9.923 -0.000 6.136) 11.667 13.681 ( -8.257 0.000 -5.696) 10.031 14.178 ( -4.364 0.000 2.012) 4.805 14.405 ( 2.344 -0.000 -2.739) 3.605 14.789 ( -3.766 0.000 6.819) 7.790 15.408 ( 2.781 -0.000 -15.009) 15.265 16.102 ( 1.882 -0.000 5.609) 5.916 20.068 ( -1.225 0.000 3.898) 4.086 21.480 ( -2.312 0.000 -0.665) 2.405 21.633 ( 1.028 -0.000 4.185) 4.309 21.737 ( -4.682 0.000 1.715) 4.986 22.335 ( -12.019 0.000 -8.414) 14.671 23.016 ( 2.296 -0.000 -13.560) 13.753 23.998 ( 0.563 -0.000 3.614) 3.658 24.641 ( 4.851 -0.000 6.830) 8.377 25.098 ( -0.648 0.000 -1.166) 1.334 25.463 ( 0.540 -0.000 1.614) 1.702 ======================= Grid point 186 (82/227) ======================= q-point: (-0.20 -0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -13.332 4.898 13.781) 19.790 1.993 ( -13.059 -6.928 1.871) 14.901 2.554 ( -8.352 1.175 10.909) 13.790 2.739 ( -9.514 -2.099 -2.830) 10.145 2.928 ( -7.142 6.294 -9.508) 13.454 3.578 ( -16.376 -5.212 -21.090) 27.205 4.129 ( -13.909 10.535 -0.079) 17.449 4.333 ( -9.453 -2.314 4.168) 10.587 4.638 ( -11.656 -1.787 -3.342) 12.257 4.887 ( -6.867 -7.428 -1.518) 10.229 5.482 ( 8.313 -2.678 3.936) 9.579 5.663 ( -2.322 -1.644 -3.652) 4.629 5.750 ( -5.256 -0.736 3.797) 6.526 5.915 ( 2.165 7.009 2.473) 7.741 6.015 ( 1.883 8.940 -4.803) 10.322 6.064 ( 12.822 1.048 8.236) 15.275 6.464 ( 0.442 -16.033 -2.684) 16.262 7.020 ( 11.073 2.314 -5.708) 12.671 7.297 ( -4.898 5.671 3.159) 8.132 7.493 ( -12.075 -1.525 15.951) 20.065 7.512 ( 4.198 -0.359 -1.658) 4.527 7.784 ( 0.113 3.670 -3.587) 5.132 8.282 ( 12.190 -0.622 15.016) 19.351 8.374 ( 8.571 4.592 2.816) 10.123 8.681 ( 4.038 -9.891 4.175) 11.470 9.802 ( -2.872 2.160 -13.885) 14.343 10.045 ( -3.135 5.432 -9.797) 11.632 10.139 ( 1.245 -1.123 -3.723) 4.083 11.595 ( -1.805 0.003 1.705) 2.483 11.861 ( 1.300 -0.617 -1.872) 2.361 12.960 ( 5.704 -4.311 -0.158) 7.152 13.466 ( 4.555 0.069 4.605) 6.478 13.508 ( -8.318 1.498 -5.610) 10.144 14.155 ( -3.905 -4.298 2.889) 6.486 14.437 ( 3.620 -0.149 -1.133) 3.796 14.787 ( -1.653 0.693 5.351) 5.643 15.301 ( 0.718 6.250 -12.355) 13.864 16.173 ( 0.155 -3.585 4.084) 5.437 20.076 ( -1.805 -0.933 3.695) 4.217 21.367 ( -4.737 8.671 -2.199) 10.122 21.600 ( -0.678 4.583 5.573) 7.247 21.814 ( -2.429 -12.788 2.443) 13.243 22.070 ( -15.777 -1.810 -8.717) 18.115 22.957 ( 2.785 -0.233 -14.561) 14.826 24.062 ( 7.467 6.411 6.620) 11.861 24.753 ( 1.841 -2.593 6.552) 7.283 25.063 ( 0.108 3.359 -4.313) 5.467 25.500 ( 0.188 -4.400 1.424) 4.629 ======================= Grid point 187 (83/227) ======================= q-point: (-0.10 -0.30 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -21.410 0.344 27.101) 34.539 1.842 ( -14.852 -11.700 -5.863) 19.795 2.492 ( -7.110 2.032 7.863) 10.794 2.602 ( -11.049 3.492 -1.013) 11.632 2.737 ( 0.240 -0.299 -10.560) 10.567 3.278 ( -16.686 -13.544 -20.219) 29.507 3.826 ( -14.159 5.108 0.184) 15.053 4.276 ( -4.141 2.025 3.604) 5.851 4.382 ( -21.790 -9.210 -1.433) 23.700 4.841 ( -10.429 -13.137 -6.124) 17.857 5.593 ( -0.080 1.701 -2.401) 2.943 5.618 ( 3.708 -1.967 0.696) 4.255 5.801 ( 2.687 12.319 -3.239) 13.019 5.876 ( 10.341 0.405 7.246) 12.634 6.117 ( 13.300 1.989 9.288) 16.344 6.291 ( 8.038 -0.793 5.701) 9.886 6.599 ( -2.086 -9.788 1.708) 10.153 7.068 ( -7.351 5.541 -2.102) 9.442 7.202 ( 9.043 0.727 -1.578) 9.209 7.405 ( -8.116 6.602 11.050) 15.217 7.590 ( 7.190 1.066 -0.987) 7.335 7.755 ( -1.255 -3.883 0.480) 4.109 8.368 ( -0.662 0.891 4.654) 4.785 8.565 ( 11.890 8.306 5.806) 15.623 8.845 ( 1.130 -7.519 2.746) 8.085 9.587 ( -7.188 4.495 -14.440) 16.745 9.826 ( -4.840 4.819 -12.815) 14.522 10.193 ( 6.829 -3.702 -8.989) 11.880 11.640 ( 4.372 0.931 5.662) 7.214 11.933 ( 7.519 -0.787 1.402) 7.689 13.096 ( 2.895 -8.623 0.089) 9.096 13.310 ( -9.907 2.972 -4.539) 11.295 13.516 ( -0.815 1.340 2.743) 3.160 14.212 ( -0.084 -8.933 1.680) 9.089 14.499 ( 4.519 -0.442 0.133) 4.542 14.794 ( 0.132 1.757 3.445) 3.869 15.145 ( -1.536 7.453 -6.691) 10.133 16.225 ( -1.628 -3.469 0.937) 3.944 20.090 ( -2.475 -2.051 4.963) 5.913 21.180 ( -4.848 7.632 -1.236) 9.126 21.582 ( -1.978 6.196 7.500) 9.928 21.767 ( -17.307 -10.078 -9.748) 22.274 21.990 ( 1.396 -8.474 2.025) 8.824 22.912 ( 3.961 -1.585 -15.073) 15.665 24.163 ( 11.204 8.847 7.967) 16.349 24.838 ( -0.902 -1.881 7.528) 7.812 24.951 ( -1.851 5.077 -9.619) 11.033 25.585 ( 0.836 -6.410 2.057) 6.784 ======================= Grid point 196 (84/227) ======================= q-point: (-0.20 -0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -17.539 0.000 -8.809) 19.627 1.742 ( -26.082 0.000 26.563) 37.227 2.518 ( -6.691 0.000 9.049) 11.254 2.604 ( -5.874 0.000 -0.419) 5.888 2.889 ( 3.053 -0.000 -7.947) 8.513 3.014 ( -30.971 0.000 -25.337) 40.014 3.916 ( -23.086 0.000 -1.627) 23.143 4.174 ( -11.212 0.000 9.742) 14.853 4.484 ( -8.741 0.000 -3.393) 9.376 4.575 ( -16.067 0.000 -7.102) 17.567 5.538 ( -4.804 0.000 -5.872) 7.587 5.664 ( 13.396 -0.000 2.835) 13.693 5.875 ( 12.250 -0.000 9.889) 15.743 6.051 ( -0.373 0.000 -2.321) 2.351 6.115 ( 8.626 -0.000 6.926) 11.062 6.242 ( 4.647 -0.000 -0.232) 4.652 6.453 ( 11.359 -0.000 4.350) 12.163 7.176 ( 13.424 -0.000 -5.681) 14.577 7.188 ( -13.266 0.000 -3.598) 13.745 7.437 ( -10.581 0.000 24.008) 26.236 7.596 ( 7.827 -0.000 -2.140) 8.114 7.748 ( -3.178 0.000 -4.509) 5.517 8.378 ( -1.840 0.000 3.216) 3.706 8.694 ( 15.667 -0.000 8.395) 17.774 8.706 ( 2.324 -0.000 6.529) 6.930 9.656 ( -4.755 0.000 -13.645) 14.450 9.977 ( 0.011 -0.000 -24.381) 24.381 10.066 ( -0.305 0.000 -5.538) 5.547 11.663 ( 5.157 -0.000 10.597) 11.785 11.911 ( 7.091 -0.000 0.216) 7.095 12.991 ( 2.545 -0.000 -1.033) 2.747 13.346 ( -9.031 0.000 -6.136) 10.918 13.528 ( -0.418 0.000 3.389) 3.415 14.093 ( -3.461 0.000 3.027) 4.598 14.493 ( 4.375 -0.000 0.216) 4.380 14.814 ( 0.080 -0.000 4.206) 4.206 15.251 ( -0.943 0.000 -11.336) 11.375 16.172 ( -1.434 0.000 4.103) 4.347 20.065 ( -2.250 0.000 3.573) 4.222 21.353 ( -3.503 0.000 -2.433) 4.265 21.527 ( -12.921 0.000 -6.793) 14.598 21.738 ( -1.819 0.000 11.746) 11.886 21.849 ( -6.726 0.000 -0.345) 6.735 22.892 ( 2.757 -0.000 -15.776) 16.015 24.277 ( 9.887 -0.000 6.681) 11.933 24.795 ( 0.400 -0.000 5.315) 5.330 25.063 ( 1.185 -0.000 -7.059) 7.157 25.469 ( -0.982 0.000 0.822) 1.280 ======================= Grid point 197 (85/227) ======================= q-point: (-0.10 -0.20 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -23.967 -11.290 -7.222) 27.460 1.537 ( -29.691 -3.330 32.330) 44.021 2.280 ( -34.661 -1.865 -20.606) 40.367 2.505 ( -5.625 3.591 8.610) 10.894 2.564 ( -6.091 -5.075 -0.601) 7.951 2.912 ( -1.559 -4.942 -11.272) 12.406 3.613 ( -13.001 -2.417 4.810) 14.072 4.092 ( -10.661 -0.472 4.302) 11.506 4.263 ( -5.672 3.895 2.461) 7.308 4.499 ( -8.281 -14.287 -3.303) 16.841 5.447 ( -3.904 -0.949 -5.493) 6.806 5.874 ( 8.716 3.582 2.327) 9.707 5.942 ( 6.000 7.441 -0.847) 9.596 6.102 ( 4.741 5.521 1.421) 7.415 6.300 ( 7.113 -5.840 1.803) 9.379 6.384 ( 13.055 -2.976 11.911) 17.921 6.651 ( 7.277 1.076 6.583) 9.872 6.911 ( -15.073 4.151 -4.332) 16.223 7.302 ( 3.620 -1.804 -1.116) 4.196 7.516 ( 2.924 4.882 16.415) 17.374 7.658 ( -3.607 -2.194 -3.361) 5.396 7.704 ( 7.582 -2.635 -0.792) 8.065 8.345 ( -5.204 -1.424 1.790) 5.685 8.763 ( 0.385 2.674 4.300) 5.078 8.850 ( 1.732 0.117 -1.875) 2.556 9.491 ( -1.850 10.507 -13.914) 17.534 9.703 ( -3.123 3.151 -22.174) 22.613 10.112 ( 4.563 -10.139 -12.793) 16.949 11.848 ( 10.284 4.732 13.761) 17.818 12.082 ( 12.294 -2.153 3.063) 12.851 13.032 ( -0.032 -5.567 -1.542) 5.776 13.156 ( -10.108 1.975 -4.298) 11.160 13.494 ( -5.980 0.696 1.894) 6.311 14.126 ( 0.762 -9.037 1.136) 9.140 14.564 ( 4.282 -0.278 0.761) 4.358 14.841 ( 1.165 1.070 2.326) 2.813 15.133 ( -2.572 4.166 -6.801) 8.380 16.172 ( -2.506 -0.931 0.134) 2.676 20.065 ( -2.714 -1.620 4.996) 5.912 21.168 ( -8.069 7.750 -3.472) 11.715 21.380 ( -10.700 -8.983 -5.421) 14.986 21.693 ( -2.665 9.641 10.045) 14.175 21.934 ( 1.492 -9.706 6.346) 11.692 22.836 ( 3.237 -3.026 -15.383) 16.008 24.443 ( 9.810 3.830 6.018) 12.130 24.835 ( -0.341 -2.521 -0.109) 2.546 24.950 ( -1.922 10.201 -6.627) 12.316 25.515 ( -0.302 -8.395 0.871) 8.446 ======================= Grid point 207 (86/227) ======================= q-point: (-0.10 -0.10 0.12) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -29.598 0.000 -6.294) 30.260 1.282 ( -34.668 0.000 38.689) 51.949 1.444 ( -47.862 0.000 -15.840) 50.415 2.478 ( -7.371 0.000 2.053) 7.652 2.596 ( 1.766 -0.000 19.303) 19.383 2.674 ( -13.608 0.000 -7.430) 15.504 3.650 ( 12.300 -0.000 7.659) 14.489 3.978 ( -8.013 0.000 -6.320) 10.205 4.225 ( -4.390 0.000 7.563) 8.744 4.334 ( -3.711 0.000 5.268) 6.444 5.367 ( -2.398 0.000 -4.735) 5.308 5.825 ( -10.293 0.000 -3.047) 10.734 6.086 ( -1.496 0.000 -7.606) 7.752 6.207 ( 15.245 -0.000 3.195) 15.576 6.562 ( 13.834 -0.000 5.095) 14.743 6.611 ( 11.638 -0.000 19.622) 22.814 6.708 ( -6.578 0.000 -3.869) 7.632 6.824 ( 6.329 -0.000 6.885) 9.352 7.323 ( -0.263 0.000 8.244) 8.248 7.512 ( -7.617 0.000 -7.731) 10.853 7.761 ( 5.977 -0.000 -3.892) 7.132 7.783 ( 9.573 -0.000 18.517) 20.845 8.240 ( -7.205 0.000 -0.484) 7.221 8.740 ( -6.813 0.000 -11.208) 13.117 8.804 ( -2.509 0.000 7.655) 8.056 9.304 ( -12.771 0.000 -59.438) 60.794 9.608 ( 3.678 -0.000 2.860) 4.659 10.034 ( 4.292 -0.000 -5.847) 7.254 12.191 ( 13.348 -0.000 17.318) 21.865 12.285 ( 14.866 -0.000 2.172) 15.024 12.943 ( -5.388 0.000 -2.597) 5.981 13.036 ( -4.184 0.000 0.227) 4.191 13.380 ( -10.722 0.000 0.294) 10.726 14.065 ( 0.155 -0.000 -1.156) 1.166 14.624 ( 3.197 -0.000 0.474) 3.232 14.879 ( 1.889 -0.000 0.631) 1.991 15.073 ( -3.046 0.000 -4.711) 5.610 16.106 ( -3.874 0.000 -10.532) 11.222 20.050 ( -2.845 0.000 6.488) 7.085 21.008 ( -10.913 0.000 -4.478) 11.796 21.248 ( -1.704 0.000 -1.330) 2.162 21.798 ( -1.198 0.000 1.747) 2.118 21.986 ( 5.396 -0.000 15.005) 15.946 22.744 ( 0.771 -0.000 -6.373) 6.420 24.618 ( 6.517 -0.000 4.128) 7.714 24.762 ( -1.286 0.000 -17.112) 17.160 24.978 ( -2.446 0.000 3.819) 4.535 25.442 ( -1.408 0.000 0.951) 1.699 ======================= Grid point 208 (87/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 11.924 -0.000 28.759) 31.133 1.416 ( 15.711 -0.000 32.013) 35.660 2.248 ( -2.907 0.000 44.007) 44.103 2.301 ( -0.272 0.000 2.388) 2.403 2.783 ( -13.736 0.000 10.097) 17.048 2.905 ( 8.804 -0.000 16.022) 18.281 3.312 ( -3.092 0.000 -18.796) 19.049 4.029 ( -20.332 0.000 -8.067) 21.875 4.395 ( 2.975 -0.000 13.868) 14.184 4.407 ( -3.312 0.000 5.283) 6.236 5.388 ( 2.782 -0.000 -0.010) 2.782 5.490 ( 6.589 -0.000 -2.746) 7.138 6.048 ( 7.856 -0.000 2.337) 8.196 6.292 ( 0.660 -0.000 -9.638) 9.661 6.379 ( -15.009 0.000 -10.567) 18.356 6.445 ( 4.214 -0.000 -4.603) 6.241 6.836 ( -14.646 0.000 -1.895) 14.768 7.073 ( 1.497 -0.000 -2.411) 2.838 7.206 ( -3.665 0.000 2.518) 4.447 7.593 ( -3.044 0.000 4.930) 5.794 7.743 ( 3.740 -0.000 -6.765) 7.730 7.988 ( 2.222 -0.000 -4.645) 5.149 8.104 ( -7.312 0.000 8.205) 10.991 8.645 ( 14.679 -0.000 -0.475) 14.687 9.030 ( -7.192 0.000 15.232) 16.844 9.608 ( -3.427 0.000 0.223) 3.435 10.094 ( 5.618 -0.000 -4.203) 7.016 10.097 ( 37.319 -0.000 -6.666) 37.910 12.398 ( 8.145 -0.000 -0.144) 8.146 12.538 ( -7.344 0.000 -3.027) 7.944 12.894 ( -14.395 0.000 2.252) 14.570 13.049 ( 2.464 -0.000 -2.578) 3.566 13.075 ( -0.431 0.000 4.469) 4.490 13.827 ( 0.046 -0.000 -11.745) 11.745 14.709 ( 3.938 -0.000 1.779) 4.321 14.877 ( -4.844 0.000 -2.326) 5.374 15.033 ( 8.547 -0.000 0.972) 8.602 15.112 ( -5.311 0.000 -1.168) 5.438 20.448 ( -5.002 0.000 20.342) 20.948 20.935 ( 8.949 -0.000 5.456) 10.481 21.107 ( -4.391 0.000 -4.543) 6.318 21.449 ( -7.983 0.000 1.748) 8.172 21.787 ( -2.754 0.000 1.118) 2.972 22.950 ( 0.220 -0.000 -19.212) 19.213 24.720 ( -5.591 0.000 0.473) 5.611 24.757 ( 12.819 -0.000 -1.179) 12.873 25.418 ( 6.376 -0.000 3.844) 7.445 25.469 ( -0.631 0.000 2.099) 2.192 ======================= Grid point 209 (88/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 14.218 -14.240 23.723) 31.108 1.855 ( 9.015 -4.939 27.271) 29.144 2.353 ( 4.288 0.375 3.627) 5.629 2.500 ( -1.343 -3.077 6.536) 7.348 2.834 ( 5.101 -4.903 37.238) 37.904 3.200 ( 7.521 -6.591 4.568) 10.994 3.269 ( 11.376 -4.459 -8.636) 14.963 3.662 ( -17.124 -2.318 -0.557) 17.289 4.397 ( -2.329 -2.371 2.310) 4.048 4.570 ( 4.202 -3.583 10.190) 11.590 5.384 ( 1.319 4.051 -1.655) 4.570 5.583 ( 9.003 3.454 -4.195) 10.516 6.023 ( -8.764 11.654 -6.923) 16.142 6.152 ( 4.128 5.734 -3.932) 8.086 6.224 ( -7.327 -5.113 -3.323) 9.532 6.510 ( 7.780 4.708 -5.244) 10.497 6.581 ( -16.346 -7.627 -2.544) 18.216 7.001 ( -10.513 3.853 7.978) 13.748 7.260 ( 2.077 -13.131 -3.992) 13.881 7.577 ( 0.120 4.824 3.186) 5.782 7.723 ( -1.396 0.745 -3.796) 4.113 8.018 ( -3.716 -0.468 5.576) 6.717 8.070 ( 0.225 -4.792 -3.368) 5.861 8.809 ( 8.163 3.921 -2.631) 9.430 9.019 ( -7.363 0.473 15.028) 16.742 9.572 ( -0.430 1.367 2.207) 2.631 10.026 ( 5.126 14.665 -4.356) 16.134 10.321 ( 5.655 -1.714 -17.079) 18.072 12.266 ( -16.855 6.594 0.783) 18.116 12.418 ( -13.079 -3.729 0.877) 13.628 12.887 ( 14.670 2.027 2.829) 15.077 13.011 ( 7.219 9.560 1.510) 12.075 13.244 ( 2.946 -10.666 2.260) 11.293 13.836 ( -1.120 -13.906 -13.957) 19.734 14.724 ( -3.426 0.123 1.722) 3.837 14.790 ( -4.424 -0.581 -2.198) 4.974 15.048 ( 8.923 11.002 -0.596) 14.178 15.337 ( 15.178 -13.704 -3.862) 20.811 20.488 ( -6.749 0.069 17.366) 18.631 21.032 ( -0.965 -0.394 -2.882) 3.064 21.175 ( 11.601 3.355 9.422) 15.317 21.411 ( 2.564 -3.525 2.433) 4.992 21.797 ( -2.562 -8.141 0.397) 8.544 22.846 ( 3.001 -1.041 -19.758) 20.011 24.576 ( -11.062 3.016 -1.780) 11.604 24.868 ( 3.661 -1.041 0.249) 3.815 25.402 ( -3.318 8.675 3.212) 9.828 25.530 ( 3.875 -2.278 1.257) 4.667 ======================= Grid point 210 (89/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 6.441 -10.083 15.810) 19.827 2.119 ( 1.155 0.786 22.182) 22.226 2.443 ( 2.138 -0.690 2.636) 3.463 2.544 ( 0.168 -5.035 10.561) 11.701 3.126 ( -11.533 -9.314 -16.896) 22.477 3.200 ( 4.891 -14.078 -3.157) 15.234 3.601 ( 21.819 -2.039 24.467) 32.846 3.911 ( 18.823 -7.692 17.683) 26.948 4.462 ( 4.336 -6.141 3.807) 8.426 4.727 ( 4.308 -4.531 6.175) 8.787 5.340 ( 2.539 5.169 -3.167) 6.572 5.550 ( 0.933 10.279 -8.424) 13.322 5.743 ( -1.530 9.556 -8.200) 12.685 6.031 ( -13.528 -2.749 -8.327) 16.121 6.162 ( 3.778 7.998 -1.975) 9.063 6.318 ( -17.453 -7.408 1.227) 18.999 6.704 ( 8.943 -2.070 1.436) 9.291 6.874 ( -8.099 2.774 9.168) 12.544 7.401 ( -3.805 -11.875 1.018) 12.511 7.519 ( 0.302 4.237 -5.161) 6.685 7.691 ( -0.808 -0.578 1.291) 1.629 7.927 ( -7.125 2.380 5.455) 9.284 8.154 ( 2.361 -4.898 -4.853) 7.288 8.702 ( -8.981 7.615 -3.859) 12.391 9.021 ( -5.038 -0.709 11.594) 12.661 9.617 ( 7.971 4.271 2.088) 9.281 9.908 ( 2.902 9.464 -4.243) 10.770 10.227 ( -2.093 0.541 -15.309) 15.461 11.979 ( -13.909 4.272 1.944) 14.679 12.252 ( -13.276 -0.831 2.527) 13.539 13.025 ( 8.331 2.875 -1.476) 8.936 13.151 ( 15.631 4.657 3.381) 16.657 13.391 ( 0.059 -8.001 2.884) 8.505 13.892 ( -0.050 -14.470 -12.530) 19.142 14.649 ( -3.519 2.082 -2.062) 4.579 14.744 ( -4.509 -2.644 1.468) 5.429 15.066 ( 10.268 11.525 -0.002) 15.435 15.683 ( 14.755 -12.621 -5.677) 20.229 20.494 ( -7.220 1.124 16.524) 18.067 21.031 ( 2.213 -0.531 -2.219) 3.179 21.230 ( 3.066 4.584 0.032) 5.515 21.671 ( 13.645 -3.779 4.173) 14.761 21.928 ( 2.316 -15.425 6.560) 16.921 22.781 ( 4.509 -1.310 -19.836) 20.384 24.296 ( -15.902 7.164 -4.380) 17.982 24.914 ( -0.847 -3.000 0.507) 3.158 25.262 ( -2.976 10.643 4.642) 11.987 25.609 ( 1.743 -2.528 1.572) 3.450 ======================= Grid point 211 (90/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -3.402 3.102 13.370) 14.140 2.285 ( 4.557 -4.187 7.003) 9.345 2.417 ( -8.494 -3.207 -0.989) 9.133 2.753 ( 4.801 -3.028 18.808) 19.645 3.000 ( -7.292 -7.506 -3.771) 11.123 3.387 ( 8.717 -9.338 -11.301) 17.056 4.052 ( 9.176 -3.360 10.508) 14.350 4.273 ( 12.322 -5.603 7.032) 15.254 4.659 ( 6.418 2.257 9.861) 11.980 4.973 ( 9.767 -10.978 2.735) 14.946 5.312 ( 3.049 2.017 -3.880) 5.331 5.443 ( 10.953 4.324 -0.014) 11.776 5.612 ( 0.756 6.845 -8.068) 10.608 5.790 ( -11.841 -3.046 -5.788) 13.527 6.103 ( -6.049 4.423 -2.619) 7.939 6.185 ( -7.160 -1.638 4.959) 8.862 6.809 ( -4.716 2.087 8.331) 9.798 6.853 ( 3.262 -5.099 0.686) 6.092 7.339 ( -5.848 3.679 -5.272) 8.691 7.495 ( -4.185 -3.058 3.728) 6.384 7.670 ( -3.182 0.412 -0.455) 3.241 7.914 ( 0.787 2.032 7.819) 8.117 8.117 ( -7.344 -4.192 -9.225) 12.514 8.468 ( -7.493 4.483 2.120) 8.985 9.035 ( -3.781 -1.264 7.670) 8.644 9.698 ( 7.830 3.250 -2.409) 8.813 9.862 ( 4.554 3.904 -4.124) 7.279 10.058 ( -4.504 2.579 -13.811) 14.754 11.792 ( -7.959 2.990 2.537) 8.873 12.083 ( -9.434 3.127 1.015) 9.990 13.129 ( 6.768 -2.698 -1.044) 7.361 13.301 ( 8.932 4.573 1.427) 10.135 13.467 ( -1.328 -3.677 3.907) 5.527 13.986 ( 1.915 -13.317 -9.973) 16.747 14.568 ( -1.532 2.915 -1.971) 3.838 14.726 ( -3.842 -2.906 2.332) 5.352 15.088 ( 8.560 10.359 1.144) 13.487 15.960 ( 10.959 -9.447 -5.433) 15.455 20.475 ( -7.411 2.813 15.830) 17.703 21.064 ( 3.303 0.829 -0.685) 3.474 21.244 ( 3.335 -1.440 -3.298) 4.906 21.837 ( 5.062 -4.490 -3.478) 7.608 22.290 ( 11.230 -11.465 13.037) 20.676 22.731 ( 5.105 -1.326 -19.909) 20.596 23.922 ( -15.624 9.521 -4.375) 18.812 24.914 ( -4.379 -3.665 -0.111) 5.712 25.162 ( -0.328 8.301 4.095) 9.262 25.661 ( 0.042 -2.016 2.680) 3.354 ======================= Grid point 212 (91/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -3.408 2.569 11.270) 12.051 2.305 ( -7.786 -2.545 -2.970) 8.713 2.408 ( 4.245 -1.618 -0.069) 4.544 2.942 ( -10.826 -2.117 25.270) 27.573 2.978 ( 4.123 -1.689 -0.693) 4.509 3.492 ( 5.081 -4.276 -12.467) 14.126 4.069 ( -1.497 8.376 -2.550) 8.883 4.416 ( -2.875 0.662 -0.720) 3.036 4.797 ( 7.359 -0.464 7.315) 10.387 5.219 ( 12.269 -8.490 -3.637) 15.357 5.303 ( 0.033 -0.287 -3.489) 3.501 5.494 ( -1.638 -0.351 -3.955) 4.295 5.657 ( 2.834 -6.620 1.794) 7.422 5.790 ( -15.040 -1.229 0.040) 15.091 5.957 ( 16.370 2.497 9.680) 19.181 6.192 ( 3.032 6.500 7.004) 10.025 6.735 ( -1.426 1.035 -4.829) 5.141 6.989 ( 1.620 -7.426 4.456) 8.811 7.170 ( -7.061 2.232 -0.682) 7.437 7.460 ( -7.605 0.313 6.031) 9.711 7.568 ( -3.967 6.542 -7.803) 10.927 7.858 ( -7.396 2.530 10.522) 13.107 8.114 ( -0.032 -12.086 -4.194) 12.794 8.408 ( -0.814 2.465 4.178) 4.919 9.038 ( -3.329 -0.971 4.962) 6.053 9.716 ( 0.882 1.370 -8.133) 8.295 9.840 ( -1.050 3.546 -10.557) 11.186 9.917 ( 5.720 1.931 -5.515) 8.177 11.703 ( -3.198 2.513 2.881) 4.985 11.932 ( -4.422 4.252 -0.784) 6.185 13.253 ( 3.504 -5.429 -0.228) 6.466 13.340 ( 0.604 0.302 -1.271) 1.440 13.497 ( 1.236 3.879 5.722) 7.022 14.097 ( 3.046 -11.105 -8.918) 14.565 14.516 ( 0.324 3.218 -0.582) 3.287 14.728 ( -2.370 -2.609 2.557) 4.354 15.101 ( 5.796 8.448 2.205) 10.479 16.138 ( 6.372 -5.923 -5.120) 10.094 20.433 ( -7.031 3.878 14.507) 16.581 21.092 ( 2.246 1.246 0.037) 2.569 21.314 ( 3.495 -5.050 -2.433) 6.606 21.914 ( 2.589 -4.432 -4.846) 7.059 22.528 ( 0.687 1.171 2.272) 2.647 22.695 ( 5.864 -1.900 -18.083) 19.105 23.679 ( -2.619 3.200 4.190) 5.887 24.866 ( -6.484 -3.447 -1.995) 7.610 25.110 ( 0.275 5.951 3.130) 6.730 25.698 ( -0.448 -1.274 3.903) 4.130 ======================= Grid point 213 (92/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -3.833 -0.987 10.694) 11.403 2.215 ( -3.437 2.132 -0.408) 4.065 2.441 ( 1.793 0.349 -5.778) 6.060 2.839 ( -12.968 3.899 8.200) 15.831 3.091 ( -3.408 2.770 21.850) 22.287 3.443 ( -1.968 -0.553 -15.352) 15.487 3.876 ( -2.954 10.341 -7.922) 13.357 4.324 ( -4.448 2.513 2.365) 5.630 4.943 ( 3.789 1.608 4.942) 6.431 5.219 ( -3.969 8.956 -7.739) 12.484 5.309 ( -1.562 -5.778 -2.306) 6.414 5.480 ( -11.290 -0.428 -6.385) 12.977 5.622 ( 1.160 -15.631 4.147) 16.214 5.919 ( 16.721 -2.913 7.295) 18.474 6.081 ( -3.355 12.049 -0.263) 12.510 6.283 ( 11.467 4.249 13.568) 18.266 6.796 ( 9.337 -4.925 -3.222) 11.037 7.031 ( -5.249 -4.321 -3.859) 7.817 7.123 ( -5.479 4.214 4.679) 8.347 7.377 ( -8.085 -1.780 9.189) 12.368 7.394 ( 0.684 -0.798 -5.723) 5.819 7.881 ( -1.338 -3.631 8.804) 9.617 8.217 ( -0.336 -8.762 -1.752) 8.941 8.414 ( 0.875 1.710 4.180) 4.600 9.028 ( -3.249 -0.315 3.951) 5.125 9.539 ( -5.782 4.972 -15.413) 17.196 9.754 ( -0.509 1.680 -4.445) 4.779 9.994 ( 9.856 0.449 -7.839) 12.602 11.656 ( -1.168 2.092 0.680) 2.490 11.886 ( 3.101 1.873 1.236) 3.828 13.278 ( -5.205 -1.159 -0.847) 5.400 13.354 ( -1.579 -5.516 -1.145) 5.850 13.506 ( 4.043 7.769 5.693) 10.446 14.193 ( 3.772 -7.706 -8.986) 12.424 14.498 ( 1.912 2.883 0.715) 3.532 14.750 ( -0.511 -2.144 2.467) 3.308 15.100 ( 2.773 6.213 2.888) 7.391 16.211 ( 1.744 -2.842 -5.301) 6.263 20.386 ( -6.275 3.939 13.500) 15.399 21.101 ( 0.596 0.976 -0.028) 1.144 21.416 ( 1.998 -6.675 0.324) 6.975 21.935 ( -0.868 -2.286 -5.522) 6.039 22.342 ( -8.063 11.571 -7.844) 16.137 22.679 ( 5.667 -0.871 -15.346) 16.382 23.840 ( 11.039 -4.771 12.082) 17.047 24.776 ( -7.373 -3.544 -5.502) 9.859 25.071 ( -0.553 4.739 3.410) 5.864 25.730 ( -0.316 -0.165 4.456) 4.470 ======================= Grid point 214 (93/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -7.676 7.165 3.947) 11.218 2.155 ( -2.502 3.032 9.497) 10.278 2.350 ( -8.568 -0.366 -9.042) 12.462 2.633 ( -9.979 4.830 4.598) 12.002 3.099 ( -9.140 7.339 25.625) 28.179 3.240 ( -4.712 11.386 -11.812) 17.070 3.747 ( -0.930 -0.628 -1.942) 2.243 4.237 ( -5.740 4.264 -0.096) 7.151 4.797 ( -13.801 14.516 5.979) 20.903 4.962 ( -5.259 7.659 -4.097) 10.154 5.399 ( 1.724 -6.611 -5.862) 9.002 5.486 ( 6.390 -9.536 -0.722) 11.501 5.825 ( -2.456 12.536 -1.951) 12.923 5.861 ( 3.875 -9.996 5.637) 12.112 6.199 ( 9.673 -3.119 2.763) 10.533 6.519 ( 12.216 2.821 11.264) 16.855 6.822 ( -11.593 7.343 -2.533) 13.955 6.899 ( -3.618 -2.545 -2.895) 5.287 7.082 ( 5.419 -2.415 -3.028) 6.661 7.327 ( -7.903 -11.780 3.004) 14.500 7.607 ( 12.985 -0.620 7.526) 15.021 7.975 ( -0.846 -3.449 8.967) 9.645 8.270 ( -1.159 -8.106 -4.932) 9.559 8.450 ( 0.125 -0.514 4.425) 4.456 9.000 ( -3.578 0.950 3.074) 4.812 9.280 ( -7.934 3.612 -14.645) 17.043 9.703 ( 1.971 4.539 -2.542) 5.564 10.049 ( 7.415 1.769 -11.805) 14.052 11.673 ( 4.396 -1.480 1.415) 4.850 11.976 ( 7.335 -0.666 2.251) 7.702 13.176 ( -8.794 -1.511 -1.672) 9.078 13.336 ( -3.234 2.134 1.390) 4.116 13.523 ( 1.714 3.371 3.149) 4.921 14.250 ( 4.720 -2.141 -8.996) 10.382 14.519 ( 3.176 1.233 0.889) 3.521 14.792 ( 1.375 -1.301 1.872) 2.663 15.084 ( 0.080 3.863 2.922) 4.845 16.184 ( -2.658 -0.820 -6.291) 6.878 20.348 ( -5.561 3.583 13.331) 14.882 21.088 ( -1.083 0.465 -0.378) 1.237 21.507 ( -3.230 -7.714 1.979) 8.594 21.826 ( -6.223 5.970 -4.033) 9.520 22.080 ( -1.053 8.618 -9.078) 12.561 22.689 ( 7.048 -0.632 -10.894) 12.990 24.167 ( 12.860 -5.414 10.618) 17.534 24.654 ( -7.339 -3.678 -9.398) 12.478 25.039 ( -1.185 3.403 4.792) 5.996 25.745 ( -0.677 1.711 3.929) 4.339 ======================= Grid point 215 (94/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -14.521 22.198 -0.891) 26.541 2.018 ( -20.712 4.346 0.831) 21.180 2.216 ( -5.866 -0.002 10.552) 12.072 2.567 ( -3.682 -0.557 9.235) 9.958 2.907 ( -8.931 15.293 -4.965) 18.393 3.040 ( -10.297 10.015 22.493) 26.688 3.782 ( 2.911 0.525 3.620) 4.675 4.043 ( -8.215 6.796 -1.593) 10.781 4.548 ( -6.604 9.104 7.483) 13.509 4.789 ( -4.494 10.979 2.879) 12.207 5.340 ( -5.044 0.957 -7.973) 9.483 5.663 ( 6.252 -7.075 -3.959) 10.238 5.826 ( 6.387 -3.985 -0.341) 7.536 6.074 ( 4.522 -2.996 5.223) 7.530 6.278 ( -0.117 -5.998 -0.338) 6.008 6.573 ( -15.227 -5.066 -7.675) 17.788 6.730 ( 10.045 4.650 7.065) 13.131 6.839 ( 2.904 0.299 0.323) 2.937 7.235 ( 9.232 -3.101 3.006) 10.192 7.432 ( 0.517 -10.057 2.241) 10.317 7.760 ( 7.363 7.902 -0.036) 10.801 8.057 ( -0.221 -0.556 14.568) 14.580 8.309 ( -3.912 -11.136 -7.269) 13.861 8.462 ( -0.861 0.264 0.155) 0.914 8.901 ( -7.367 2.292 -8.542) 11.510 9.084 ( -5.608 1.140 1.734) 5.980 9.689 ( 4.651 5.241 0.421) 7.019 10.013 ( 5.477 4.380 -14.030) 15.685 11.855 ( 11.215 -6.619 4.013) 13.627 12.127 ( 8.013 -3.204 0.962) 8.684 13.041 ( -9.650 -0.969 -1.125) 9.763 13.244 ( -4.594 5.585 2.027) 7.510 13.503 ( -3.113 1.847 1.585) 3.951 14.259 ( 6.946 4.757 -9.164) 12.444 14.567 ( 3.167 -0.491 -0.211) 3.211 14.842 ( 3.247 0.349 0.935) 3.397 15.057 ( -1.964 1.634 2.115) 3.317 16.062 ( -7.587 0.121 -9.067) 11.823 20.326 ( -4.935 3.302 13.999) 15.207 21.048 ( -3.746 0.032 -1.130) 3.913 21.431 ( -9.854 1.816 -2.040) 10.226 21.731 ( -0.315 1.615 5.118) 5.376 21.955 ( 0.997 3.131 -11.400) 11.865 22.765 ( 9.497 -0.278 -2.911) 9.937 24.427 ( 5.839 -3.894 -3.696) 7.932 24.544 ( -1.331 -3.056 -2.499) 4.166 25.037 ( -0.684 0.939 6.819) 6.917 25.716 ( -2.027 4.355 2.579) 5.452 ======================= Grid point 216 (95/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -13.768 23.475 8.692) 28.569 1.557 ( -21.362 22.031 2.866) 30.821 2.179 ( -15.289 3.878 27.500) 31.703 2.564 ( -8.263 6.022 0.560) 10.239 2.652 ( -7.018 -0.143 14.597) 16.197 2.926 ( -7.468 4.841 13.535) 16.200 3.793 ( -5.162 2.614 -8.744) 10.485 3.937 ( 9.869 10.010 9.448) 16.937 4.464 ( -4.066 3.071 8.073) 9.547 4.621 ( -6.383 10.625 8.048) 14.779 5.263 ( -0.017 -2.043 -3.590) 4.131 5.709 ( -10.441 -1.105 -7.561) 12.939 5.851 ( 4.164 -6.323 -5.120) 9.140 6.232 ( 10.538 -1.693 1.341) 10.757 6.319 ( -11.814 -9.247 -12.538) 19.552 6.499 ( 3.723 -12.875 6.447) 14.872 6.861 ( 4.638 -0.781 1.874) 5.063 6.949 ( 5.480 -4.541 2.595) 7.575 7.453 ( 11.000 1.248 5.565) 12.390 7.486 ( 2.924 7.616 -4.187) 9.169 7.722 ( 4.428 5.129 -1.876) 7.030 8.115 ( -6.110 -3.877 -4.105) 8.320 8.332 ( -4.398 -4.490 13.028) 14.465 8.428 ( -0.762 -1.509 -10.377) 10.514 8.710 ( 0.220 5.461 2.130) 5.866 9.075 ( -3.189 0.484 13.261) 13.647 9.701 ( 1.480 3.510 0.702) 3.873 9.980 ( 9.753 4.171 -10.323) 14.801 12.176 ( 14.795 -9.370 2.967) 17.762 12.278 ( 5.220 -5.305 -0.623) 7.468 12.918 ( -8.071 -2.148 1.167) 8.433 13.118 ( -6.727 3.566 2.072) 7.890 13.405 ( -6.617 3.911 0.485) 7.701 14.217 ( 9.348 12.719 -11.363) 19.449 14.610 ( 2.002 -1.112 -1.474) 2.724 14.892 ( 5.272 2.705 0.164) 5.928 15.017 ( -3.511 -0.046 0.555) 3.555 15.810 ( -15.796 1.471 -13.488) 20.823 20.326 ( -4.019 2.933 15.922) 16.681 20.956 ( -5.966 1.087 -1.239) 6.190 21.283 ( -2.305 5.014 -1.487) 5.716 21.713 ( -9.425 -4.422 0.778) 10.440 21.891 ( 3.519 2.286 -7.949) 8.989 22.939 ( 11.598 -1.362 2.621) 11.968 24.368 ( 1.262 -2.013 -13.446) 13.654 24.671 ( 4.568 -1.584 5.060) 6.999 25.106 ( 1.886 -2.228 8.983) 9.445 25.621 ( -3.935 6.642 1.408) 7.847 ======================= Grid point 217 (96/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -1.517 33.950 19.834) 39.348 1.133 ( -6.678 10.959 27.381) 30.239 2.117 ( -15.713 3.353 40.404) 43.481 2.369 ( -8.421 3.652 2.474) 9.506 2.723 ( -0.417 -1.706 13.867) 13.977 2.905 ( -6.657 -0.826 7.344) 9.946 3.548 ( -7.631 4.126 -15.806) 18.030 4.102 ( 11.652 5.247 6.832) 14.491 4.432 ( -4.608 2.012 7.995) 9.444 4.454 ( -13.348 4.086 7.382) 15.791 5.312 ( 3.401 -2.780 0.548) 4.426 5.507 ( -6.873 -1.198 -6.424) 9.484 5.939 ( 5.218 -1.160 -2.035) 5.720 6.260 ( 3.136 -9.671 -13.415) 16.832 6.393 ( 2.901 -4.500 -1.629) 5.596 6.622 ( -10.881 -11.072 -6.469) 16.817 6.936 ( 5.131 1.993 0.028) 5.505 7.089 ( -1.261 -4.330 5.981) 7.490 7.260 ( -1.644 12.759 -5.961) 14.178 7.599 ( 2.640 1.412 2.983) 4.226 7.749 ( 7.617 6.349 -6.304) 11.750 8.001 ( -7.145 -6.303 -4.849) 10.690 8.214 ( -9.567 4.814 3.331) 11.216 8.470 ( 7.339 -2.671 -3.773) 8.673 8.974 ( 3.543 -3.889 16.872) 17.673 9.296 ( 30.840 -5.523 24.369) 39.692 9.662 ( -2.077 1.416 -0.524) 2.568 10.050 ( 11.775 4.845 -5.591) 13.906 12.333 ( 1.483 -2.893 -4.277) 5.372 12.501 ( 11.740 -2.927 1.187) 12.157 12.908 ( -7.212 -13.652 2.988) 15.726 13.024 ( -6.474 -3.393 1.670) 7.498 13.237 ( -6.016 8.857 -0.267) 10.710 14.052 ( 5.156 20.973 -15.314) 26.476 14.640 ( 2.427 -1.006 -0.697) 2.719 14.938 ( 4.859 4.207 0.786) 6.475 14.962 ( -3.038 -1.229 -1.949) 3.813 15.393 ( -22.776 3.035 -8.495) 24.497 20.370 ( -3.146 1.503 19.699) 20.005 20.873 ( -1.356 1.387 0.426) 1.986 21.202 ( -1.171 3.484 -3.549) 5.109 21.585 ( -13.205 -5.852 -2.906) 14.733 21.848 ( -0.598 4.743 -0.983) 4.880 23.057 ( 3.116 -0.775 -11.543) 11.981 24.484 ( 18.375 -2.767 -1.822) 18.671 24.743 ( -0.318 -1.272 2.532) 2.851 25.257 ( 5.148 -3.363 9.119) 10.998 25.501 ( -3.627 4.574 1.861) 6.127 ======================= Grid point 219 (97/227) ======================= q-point: ( 0.10 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 17.267 -0.000 20.828) 27.055 2.129 ( 6.719 -0.000 25.295) 26.172 2.436 ( -2.135 0.000 -3.498) 4.098 2.473 ( 7.282 -0.000 5.116) 8.899 3.014 ( -13.353 0.000 -16.963) 21.588 3.027 ( 4.589 -0.000 8.469) 9.633 3.624 ( 25.958 -0.000 23.887) 35.276 3.784 ( 17.956 -0.000 16.779) 24.575 4.362 ( 1.386 -0.000 -1.491) 2.036 4.690 ( 3.772 -0.000 10.964) 11.595 5.416 ( 2.586 -0.000 -2.347) 3.493 5.672 ( 3.190 -0.000 -7.339) 8.003 5.918 ( -7.044 0.000 -12.656) 14.484 5.971 ( -10.226 0.000 -5.791) 11.752 6.182 ( -19.410 0.000 0.073) 19.410 6.268 ( 0.911 -0.000 0.974) 1.334 6.753 ( 17.350 -0.000 -3.461) 17.692 6.881 ( -14.097 0.000 8.932) 16.688 7.178 ( -1.021 0.000 0.727) 1.253 7.643 ( -3.765 0.000 -5.951) 7.042 7.662 ( -0.315 0.000 3.232) 3.248 7.948 ( -5.987 0.000 8.041) 10.025 8.070 ( 4.076 -0.000 -6.496) 7.669 8.790 ( -8.865 0.000 -7.561) 11.651 8.998 ( -8.835 0.000 14.560) 17.031 9.673 ( 9.233 -0.000 3.253) 9.789 10.112 ( 0.916 -0.000 -6.957) 7.017 10.177 ( -3.812 0.000 -17.517) 17.927 12.116 ( -10.216 0.000 -1.472) 10.321 12.157 ( -17.402 0.000 8.181) 19.229 13.088 ( 3.669 -0.000 1.845) 4.107 13.236 ( 6.074 -0.000 -3.094) 6.817 13.246 ( 13.729 -0.000 6.156) 15.046 13.694 ( 2.564 -0.000 -11.161) 11.451 14.680 ( -4.599 0.000 3.611) 5.847 14.706 ( -3.273 0.000 -3.414) 4.729 15.359 ( 16.223 -0.000 -10.312) 19.223 15.376 ( 11.433 -0.000 3.287) 11.896 20.500 ( -6.623 0.000 15.458) 16.817 21.025 ( 4.227 -0.000 -3.878) 5.736 21.368 ( -0.463 0.000 -1.046) 1.143 21.597 ( 21.522 -0.000 16.312) 27.005 21.698 ( -3.760 0.000 0.534) 3.798 22.766 ( 5.160 -0.000 -20.143) 20.794 24.387 ( -13.998 0.000 -4.012) 14.562 24.872 ( -1.871 0.000 1.382) 2.326 25.476 ( -0.490 0.000 0.755) 0.900 25.496 ( -2.724 0.000 2.514) 3.707 ======================= Grid point 220 (98/227) ======================= q-point: ( 0.20 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 5.694 2.946 11.447) 13.120 2.314 ( 2.073 2.096 12.951) 13.282 2.419 ( 1.411 5.000 0.006) 5.196 2.678 ( 7.204 -6.635 13.359) 16.565 2.836 ( 1.994 -4.251 -8.427) 9.647 3.189 ( 10.398 -6.418 -3.168) 12.623 4.028 ( 11.376 1.844 13.412) 17.683 4.194 ( 16.669 -1.519 8.622) 18.828 4.525 ( 10.585 -11.194 5.482) 16.353 4.810 ( 3.240 -0.352 7.876) 8.524 5.452 ( 6.014 6.407 -0.834) 8.827 5.566 ( -0.778 3.991 -6.259) 7.464 5.714 ( -15.701 -2.114 -5.938) 16.919 5.745 ( -1.000 2.111 -11.501) 11.736 6.110 ( -2.952 -0.551 5.861) 6.586 6.205 ( -5.106 0.485 -0.424) 5.147 6.767 ( -7.869 -1.066 9.866) 12.665 6.921 ( 8.784 7.665 -2.040) 11.835 7.247 ( 0.253 -12.843 2.070) 13.012 7.493 ( -6.098 4.864 -5.575) 9.587 7.643 ( -5.197 -1.599 2.984) 6.203 7.961 ( 0.796 3.039 3.558) 4.746 8.051 ( -5.093 -3.615 -5.466) 8.300 8.538 ( -12.625 1.730 -5.161) 13.749 8.971 ( -8.926 -2.631 11.831) 15.053 9.816 ( 9.723 4.703 -1.977) 10.980 9.964 ( -0.486 4.477 -9.025) 10.086 10.074 ( -3.116 -1.445 -11.500) 12.002 11.915 ( -7.811 7.601 4.938) 11.966 12.076 ( -8.296 -4.498 3.885) 10.205 13.104 ( 0.231 0.645 1.463) 1.615 13.282 ( 0.315 -2.963 -3.360) 4.491 13.483 ( 12.444 2.124 5.486) 13.765 13.724 ( 4.679 -7.854 -10.165) 13.671 14.623 ( -2.366 2.111 -0.258) 3.181 14.669 ( -3.031 -2.224 1.220) 3.952 15.369 ( 11.262 13.974 -3.094) 18.212 15.696 ( 11.468 -13.543 -3.343) 18.058 20.505 ( -6.926 0.314 15.235) 16.738 21.089 ( 7.585 0.236 -4.080) 8.616 21.316 ( 1.498 6.897 -1.612) 7.239 21.691 ( -1.820 -7.852 -2.829) 8.542 22.073 ( 19.341 -5.608 18.415) 27.288 22.713 ( 6.024 -0.351 -20.436) 21.309 24.113 ( -13.951 5.539 -5.049) 15.837 24.844 ( -4.483 -2.084 0.667) 4.989 25.361 ( -2.487 9.405 2.371) 10.013 25.557 ( -2.128 -7.210 1.814) 7.733 ======================= Grid point 221 (99/227) ======================= q-point: ( 0.30 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -5.022 3.375 7.888) 9.941 2.311 ( -1.182 1.956 -3.610) 4.273 2.462 ( 12.302 7.171 1.318) 14.301 2.881 ( -1.973 -4.539 13.693) 14.560 2.985 ( 10.225 3.233 11.451) 15.689 3.400 ( 12.514 -5.202 -9.991) 16.837 4.170 ( 4.697 0.110 3.027) 5.589 4.385 ( 0.444 -0.506 -1.587) 1.724 4.784 ( 5.464 -5.701 5.959) 9.893 4.927 ( 3.718 -9.827 0.804) 10.538 5.319 ( -4.176 3.212 -7.636) 9.277 5.543 ( -0.735 1.197 -2.824) 3.154 5.604 ( 0.590 0.155 -1.751) 1.854 5.797 ( -0.201 2.350 2.336) 3.319 6.009 ( 7.391 2.037 5.550) 9.464 6.273 ( 4.723 0.168 8.981) 10.148 6.796 ( -0.606 -2.193 3.843) 4.466 6.857 ( -1.162 4.526 -1.302) 4.851 7.272 ( -8.176 6.125 -2.830) 10.601 7.430 ( 0.736 -5.190 3.004) 6.042 7.626 ( -2.754 -2.240 2.024) 4.087 7.789 ( -16.506 -7.143 -13.429) 22.445 8.018 ( -0.517 4.693 8.788) 9.976 8.421 ( -2.395 -1.122 1.564) 3.072 8.956 ( -8.225 -5.256 7.790) 12.489 9.772 ( 0.937 4.420 -6.592) 7.992 9.908 ( -3.897 1.618 -12.410) 13.108 10.003 ( 9.136 3.784 -5.127) 11.139 11.795 ( -3.295 5.533 4.154) 7.664 12.020 ( -3.896 2.382 2.382) 5.150 13.131 ( -0.276 -4.163 1.118) 4.319 13.263 ( -4.923 -4.278 -3.122) 7.231 13.637 ( 9.247 5.616 5.680) 12.219 13.842 ( 5.997 -10.164 -9.167) 14.943 14.574 ( -0.711 2.086 -0.262) 2.220 14.670 ( -2.243 -2.505 2.343) 4.098 15.346 ( 7.986 12.689 -1.394) 15.058 15.950 ( 7.479 -10.636 -3.683) 13.514 20.491 ( -7.735 1.392 14.994) 16.929 21.171 ( 7.369 1.704 -2.271) 7.897 21.263 ( 2.447 4.233 -2.977) 5.724 21.759 ( 0.380 -9.405 -3.704) 10.115 22.480 ( 10.878 -3.662 12.726) 17.137 22.668 ( 6.558 -0.426 -20.733) 21.750 23.840 ( -6.091 8.599 -0.913) 10.577 24.790 ( -6.601 -3.077 -1.170) 7.376 25.253 ( -1.782 7.175 2.388) 7.769 25.613 ( -2.334 -6.198 2.845) 7.208 ======================= Grid point 222 (100/227) ======================= q-point: (-0.60 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -4.856 1.312 7.355) 8.911 2.274 ( 1.302 2.549 -0.507) 2.907 2.540 ( 11.402 8.675 -5.848) 15.475 2.931 ( -5.425 4.070 14.948) 16.414 3.150 ( 6.383 3.841 12.896) 14.893 3.449 ( 1.309 1.679 -12.507) 12.687 4.161 ( -0.579 11.777 -7.974) 14.235 4.328 ( -2.033 -4.542 3.909) 6.329 4.917 ( 3.733 -1.375 6.346) 7.490 5.175 ( 4.935 -14.009 -3.534) 15.268 5.257 ( -0.720 -5.980 2.838) 6.658 5.418 ( -1.526 7.719 -9.151) 12.069 5.542 ( -14.297 3.882 -4.446) 15.467 5.801 ( 14.330 -6.586 5.939) 16.852 6.263 ( 4.197 1.940 7.902) 9.155 6.402 ( 6.445 6.128 8.631) 12.393 6.734 ( 5.814 1.531 -4.674) 7.615 6.936 ( 1.083 -3.392 -0.801) 3.650 7.111 ( -5.576 -1.073 5.002) 7.568 7.365 ( -11.697 1.627 -2.102) 11.995 7.504 ( -5.131 4.163 0.396) 6.619 7.748 ( -2.150 -9.294 -0.295) 9.544 8.055 ( 0.369 -2.855 7.053) 7.618 8.434 ( -0.606 -0.307 3.268) 3.338 8.954 ( -6.701 -6.183 5.337) 10.565 9.655 ( -4.562 4.934 -13.717) 15.275 9.769 ( -0.465 0.732 -3.683) 3.783 10.071 ( 11.777 4.879 -7.934) 15.015 11.728 ( -1.510 4.045 0.696) 4.373 11.967 ( 1.556 4.912 1.920) 5.498 13.188 ( -5.515 -5.855 3.468) 8.759 13.201 ( -4.820 -6.334 -4.202) 9.000 13.713 ( 6.626 8.509 5.491) 12.102 13.988 ( 7.148 -9.238 -8.941) 14.710 14.551 ( 0.459 1.748 0.220) 1.821 14.691 ( -1.232 -3.017 2.529) 4.125 15.304 ( 4.919 11.109 0.102) 12.150 16.099 ( 2.847 -7.084 -4.192) 8.709 20.453 ( -8.170 2.062 14.182) 16.496 21.199 ( 3.937 7.169 0.390) 8.188 21.285 ( 2.962 -4.665 -3.862) 6.741 21.841 ( 1.630 -6.246 -3.577) 7.380 22.540 ( -2.448 5.894 -5.821) 8.638 22.660 ( 6.238 -0.752 -14.013) 15.357 23.827 ( 9.658 3.328 9.754) 14.124 24.699 ( -8.143 -3.296 -3.786) 9.566 25.177 ( -1.499 5.077 2.222) 5.741 25.667 ( -2.251 -5.294 3.921) 6.962 ======================= Grid point 223 (101/227) ======================= q-point: (-0.50 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -4.934 -0.071 9.387) 10.605 2.270 ( -0.882 0.308 0.544) 1.081 2.493 ( 4.605 14.139 -8.334) 17.046 2.816 ( -8.625 10.518 8.087) 15.825 3.255 ( -3.540 6.849 22.781) 24.050 3.349 ( 4.766 0.863 -11.686) 12.650 3.923 ( -1.472 12.202 -9.516) 15.544 4.377 ( 1.793 6.841 5.057) 8.694 5.029 ( 1.061 -0.749 5.200) 5.360 5.114 ( -13.505 9.118 1.591) 16.372 5.259 ( 1.181 -5.471 -3.544) 6.625 5.353 ( 1.427 0.741 -6.710) 6.900 5.563 ( 7.457 -13.730 4.837) 16.356 6.125 ( -5.823 11.533 -4.807) 13.785 6.129 ( 12.132 -5.121 2.761) 13.455 6.497 ( 2.916 -1.550 6.827) 7.584 6.866 ( 3.843 -4.679 2.744) 6.648 6.906 ( -3.294 -0.676 0.403) 3.386 7.053 ( -8.855 2.645 -3.212) 9.784 7.157 ( -8.350 -1.267 -3.097) 8.995 7.579 ( 12.440 -1.113 9.874) 15.921 7.825 ( -0.469 -7.595 1.784) 7.816 8.153 ( -0.099 -4.570 5.049) 6.811 8.442 ( -1.546 -0.303 3.104) 3.481 8.968 ( -4.567 -4.339 5.202) 8.170 9.393 ( -7.702 5.807 -15.465) 18.226 9.769 ( 2.362 1.571 -0.026) 2.837 10.124 ( 11.401 5.170 -11.214) 16.807 11.684 ( 1.724 2.094 -0.851) 2.843 11.995 ( 5.938 2.491 1.129) 6.538 13.099 ( -11.063 -4.828 0.145) 12.072 13.237 ( -4.374 -7.244 0.423) 8.473 13.722 ( 4.203 10.425 4.763) 12.208 14.131 ( 8.181 -6.801 -9.015) 13.944 14.551 ( 1.446 1.128 0.282) 1.856 14.736 ( 0.177 -3.617 2.130) 4.201 15.247 ( 2.520 9.666 1.255) 10.068 16.134 ( -1.932 -3.723 -5.097) 6.601 20.406 ( -8.150 1.656 13.706) 16.032 21.165 ( 1.368 5.676 -0.495) 5.860 21.354 ( 0.150 -5.786 -1.463) 5.970 21.884 ( 1.713 -0.069 -1.728) 2.434 22.317 ( -5.445 11.214 -8.285) 14.968 22.668 ( 8.089 -0.929 -14.559) 16.681 24.097 ( 15.010 -0.807 12.499) 19.549 24.575 ( -8.538 -3.358 -6.473) 11.228 25.121 ( -1.532 3.849 2.512) 4.845 25.714 ( -2.759 -4.234 4.158) 6.544 ======================= Grid point 224 (102/227) ======================= q-point: (-0.40 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -10.945 0.284 7.402) 13.216 2.105 ( -14.956 5.917 -3.617) 16.485 2.345 ( 6.529 14.570 2.070) 16.100 2.657 ( -6.385 9.526 13.235) 17.512 3.197 ( -2.992 10.592 5.751) 12.418 3.350 ( 1.308 12.949 7.130) 14.840 3.796 ( 4.921 3.744 -5.143) 8.043 4.277 ( -2.116 12.656 4.168) 13.492 4.837 ( -6.900 15.093 3.047) 16.873 4.977 ( -3.316 6.554 2.078) 7.633 5.308 ( 0.182 -4.456 -4.865) 6.599 5.482 ( 7.307 -8.789 1.129) 11.486 5.797 ( -2.407 -5.818 0.348) 6.306 5.978 ( 7.996 2.234 3.978) 9.206 6.216 ( -2.810 0.397 -4.444) 5.273 6.468 ( -16.171 -4.218 -5.934) 17.735 6.830 ( -5.882 0.137 2.704) 6.475 6.853 ( 1.258 4.434 -3.932) 6.058 7.076 ( 5.483 -9.615 10.863) 15.508 7.227 ( 7.983 -7.582 -0.186) 11.012 7.841 ( 10.001 -2.997 1.710) 10.580 7.939 ( 3.759 -5.363 3.202) 7.290 8.200 ( -2.638 -1.472 5.496) 6.272 8.445 ( -2.720 -1.737 3.025) 4.423 8.958 ( -4.131 1.660 -0.658) 4.500 9.132 ( -6.490 3.076 -6.406) 9.624 9.788 ( 3.198 3.503 1.139) 4.878 10.124 ( 9.076 6.174 -14.531) 18.211 11.758 ( 8.454 -2.322 1.273) 8.859 12.083 ( 7.032 -0.540 -1.540) 7.219 12.982 ( -12.069 -4.047 1.651) 12.836 13.221 ( -8.010 -5.494 0.107) 9.714 13.673 ( 1.688 11.090 3.703) 11.813 14.254 ( 8.915 -3.590 -8.898) 13.097 14.568 ( 1.843 0.268 -0.585) 1.952 14.806 ( 2.067 -3.789 1.021) 4.435 15.183 ( 1.586 8.767 1.817) 9.092 16.054 ( -7.025 -0.947 -6.606) 9.689 20.368 ( -7.966 0.641 14.125) 16.229 21.103 ( -1.611 4.188 -1.143) 4.631 21.384 ( -2.259 -3.537 -0.525) 4.230 21.878 ( 2.293 7.413 3.367) 8.458 22.067 ( -3.762 8.205 -10.479) 13.830 22.737 ( 10.883 -1.916 -10.378) 15.160 24.377 ( 8.027 -0.694 -0.350) 8.064 24.467 ( -1.585 -3.649 1.080) 4.123 25.085 ( -0.895 2.738 3.543) 4.566 25.727 ( -4.616 -2.828 3.401) 6.393 ======================= Grid point 225 (103/227) ======================= q-point: (-0.30 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -15.647 12.946 1.932) 20.400 1.985 ( -11.171 9.997 17.026) 22.686 2.311 ( 4.758 11.647 5.119) 13.583 2.592 ( -6.691 2.840 15.158) 16.810 3.006 ( -0.315 21.289 -2.342) 21.419 3.169 ( -10.624 18.624 18.486) 28.310 3.822 ( 1.364 -0.445 -6.282) 6.443 4.212 ( 8.704 13.625 9.989) 19.005 4.621 ( -3.217 11.438 0.861) 11.913 4.874 ( -3.830 9.129 5.445) 11.298 5.261 ( -2.174 2.243 -3.976) 5.056 5.660 ( -13.252 -1.947 -6.191) 14.756 5.703 ( 8.380 -6.669 -1.743) 10.851 6.110 ( -8.049 -7.126 -5.473) 12.063 6.203 ( -12.293 -4.714 -10.606) 16.907 6.254 ( 11.386 -5.996 9.728) 16.132 6.770 ( -5.123 -4.147 5.626) 8.666 6.896 ( 4.446 -2.037 -3.156) 5.820 7.399 ( 9.025 -9.157 7.115) 14.694 7.431 ( 10.141 -4.581 4.766) 12.105 7.928 ( 2.466 3.622 -3.335) 5.507 8.024 ( 2.467 -0.645 -7.364) 7.793 8.235 ( -3.236 -3.370 10.773) 11.743 8.418 ( -3.558 -0.762 -1.857) 4.085 8.801 ( -4.049 2.916 -2.660) 5.654 9.109 ( 1.117 2.148 10.922) 11.187 9.783 ( 0.466 3.834 -0.900) 3.966 10.090 ( 10.610 5.975 -13.462) 18.152 11.993 ( 13.908 -6.437 2.682) 15.559 12.184 ( 6.291 -2.923 -3.456) 7.750 12.861 ( -11.644 -3.324 2.888) 12.448 13.119 ( -12.219 -3.239 -0.293) 12.644 13.580 ( -0.373 11.046 2.843) 11.412 14.351 ( 9.758 0.204 -9.174) 13.395 14.584 ( 0.977 -0.885 -2.454) 2.785 14.885 ( 2.216 -3.708 -1.073) 4.451 15.133 ( 4.307 9.371 1.670) 10.448 15.849 ( -13.310 1.840 -8.762) 16.042 20.355 ( -7.316 -0.428 15.488) 17.135 21.012 ( -3.346 3.683 -0.854) 5.049 21.371 ( -0.153 1.645 0.157) 1.660 21.759 ( -7.431 9.553 -1.245) 12.167 21.953 ( 4.281 3.283 -4.761) 7.195 22.886 ( 11.839 -3.165 -5.528) 13.444 24.323 ( -0.066 -2.094 -10.144) 10.358 24.643 ( 6.782 -0.792 6.250) 9.256 25.100 ( 2.331 0.981 5.574) 6.121 25.678 ( -7.911 -1.203 2.187) 8.296 ======================= Grid point 226 (104/227) ======================= q-point: (-0.20 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -0.751 16.148 20.214) 25.883 1.772 ( -7.253 23.190 18.486) 30.530 2.303 ( 3.493 12.511 13.945) 19.058 2.522 ( -8.113 6.850 0.505) 10.630 2.744 ( -10.081 15.000 26.950) 32.449 3.014 ( -0.192 10.959 10.435) 15.134 3.699 ( -4.317 7.300 -11.707) 14.456 4.286 ( 6.864 9.811 7.851) 14.318 4.529 ( 2.458 6.894 3.075) 7.939 4.643 ( -15.797 12.759 4.037) 20.704 5.235 ( 1.619 -2.569 -1.689) 3.475 5.432 ( -9.134 -5.849 -6.921) 12.866 5.895 ( 2.120 -3.083 -2.766) 4.653 6.009 ( 3.814 -9.805 -10.068) 14.562 6.176 ( -5.685 -11.733 -4.519) 13.799 6.479 ( 3.509 -2.970 3.514) 5.787 6.840 ( -4.410 -11.127 9.581) 15.332 6.983 ( 5.825 0.048 0.807) 5.881 7.501 ( 1.351 -2.643 -2.746) 4.044 7.703 ( 0.954 7.561 -1.763) 7.823 7.805 ( 5.368 2.353 2.634) 6.426 7.944 ( -4.355 0.561 -11.034) 11.876 8.255 ( -5.768 -1.237 5.368) 7.976 8.407 ( 4.836 -2.295 -2.848) 6.063 8.847 ( 0.562 -5.882 13.474) 14.712 9.250 ( 10.828 1.296 15.509) 18.959 9.700 ( -3.296 2.679 -3.838) 5.724 10.150 ( 14.634 3.632 -9.453) 17.796 12.249 ( 7.111 -4.157 -4.322) 9.302 12.353 ( 13.597 -7.379 4.586) 16.135 12.756 ( -10.235 -3.118 2.170) 10.917 12.940 ( -15.465 -3.437 -0.422) 15.848 13.461 ( -1.120 11.363 2.524) 11.694 14.389 ( 8.969 6.539 -14.024) 17.885 14.593 ( 1.148 -2.813 -2.526) 3.951 14.910 ( -2.634 -3.434 -3.319) 5.454 15.139 ( 10.854 11.749 -0.351) 15.999 15.499 ( -19.082 5.659 -7.423) 21.242 20.381 ( -5.894 -1.296 17.938) 18.926 20.931 ( -1.034 3.664 0.640) 3.861 21.346 ( 2.985 7.314 -1.474) 8.036 21.511 ( -12.894 2.250 -2.339) 13.296 21.958 ( 4.022 5.018 -1.692) 6.650 23.019 ( 5.945 -2.620 -9.693) 11.668 24.391 ( 11.857 -4.746 -2.406) 12.996 24.723 ( 0.320 -0.208 1.762) 1.803 25.214 ( 6.932 -0.548 6.626) 9.605 25.554 ( -11.110 -0.389 1.806) 11.263 ======================= Grid point 227 (105/227) ======================= q-point: (-0.10 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 4.814 26.123 22.257) 34.655 1.622 ( 9.181 18.186 26.705) 33.588 2.308 ( -3.947 7.221 18.411) 20.167 2.399 ( 5.670 7.905 12.164) 15.576 2.719 ( -10.084 0.431 23.537) 25.610 3.049 ( 9.751 10.349 13.528) 19.626 3.425 ( -3.477 9.677 -17.060) 19.919 4.102 ( -22.631 6.542 -7.688) 24.781 4.412 ( -3.662 3.050 11.074) 12.056 4.531 ( 4.252 8.484 4.673) 10.578 5.308 ( 2.362 -5.230 -0.659) 5.777 5.445 ( 5.490 -4.595 -3.774) 8.093 5.936 ( 1.833 -10.143 -3.232) 10.802 6.151 ( -8.665 -11.720 -8.602) 16.925 6.227 ( 13.438 -4.039 -3.319) 14.420 6.466 ( -5.074 0.492 -2.827) 5.829 6.943 ( -10.409 6.199 -2.048) 12.287 6.977 ( -5.656 -10.782 9.796) 15.627 7.404 ( 4.231 16.049 -8.896) 18.831 7.568 ( -5.148 -2.481 4.775) 7.447 7.778 ( -4.027 0.335 -9.179) 10.029 7.967 ( 6.051 1.594 4.775) 7.872 8.183 ( -5.721 2.957 1.656) 6.649 8.582 ( 13.064 -5.103 -0.340) 14.030 8.985 ( -5.326 -4.748 15.128) 16.726 9.601 ( -4.337 -2.995 -0.859) 5.340 9.663 ( 17.130 -13.342 7.345) 22.921 10.274 ( 14.664 2.106 -11.292) 18.628 12.343 ( 0.560 -3.684 1.755) 4.119 12.582 ( -4.067 3.000 -3.278) 6.023 12.699 ( 3.931 -8.469 5.278) 10.725 12.825 ( -5.707 -10.061 -0.378) 11.573 13.337 ( -0.116 11.948 2.728) 12.256 14.193 ( -0.883 17.689 -21.006) 27.476 14.679 ( 6.334 -3.123 -0.825) 7.110 14.859 ( -4.271 -2.525 -3.968) 6.353 15.030 ( -10.724 5.967 1.800) 12.404 15.290 ( 10.209 10.287 -2.051) 14.637 20.445 ( -5.691 -1.228 19.738) 20.578 20.941 ( 5.332 1.012 3.356) 6.381 21.200 ( -5.244 7.818 -3.990) 10.225 21.406 ( -2.319 -0.643 2.411) 3.406 21.912 ( 0.507 8.011 -0.747) 8.061 22.967 ( 0.815 0.996 -17.757) 17.804 24.647 ( 0.957 -6.051 2.032) 6.455 24.739 ( 8.487 -1.415 -1.723) 8.774 25.363 ( 0.293 -2.955 5.907) 6.611 25.446 ( -1.671 -2.014 2.205) 3.422 ======================= Grid point 230 (106/227) ======================= q-point: ( 0.20 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -6.349 0.000 4.759) 7.935 2.331 ( -0.768 0.000 1.032) 1.287 2.672 ( 12.161 -0.000 -11.722) 16.891 2.734 ( 9.565 -0.000 20.238) 22.384 3.070 ( 16.684 -0.000 15.681) 22.896 3.286 ( 11.761 -0.000 -7.229) 13.804 4.157 ( 2.169 -0.000 3.199) 3.865 4.474 ( -5.693 0.000 -5.317) 7.789 4.524 ( 16.034 -0.000 5.084) 16.821 4.898 ( 1.829 -0.000 5.881) 6.159 5.382 ( -11.313 0.000 -8.016) 13.865 5.550 ( -1.065 0.000 1.505) 1.843 5.594 ( 2.519 -0.000 -6.342) 6.824 5.843 ( 8.054 -0.000 1.052) 8.122 6.042 ( -2.334 0.000 3.012) 3.811 6.251 ( 7.502 -0.000 7.667) 10.727 6.725 ( -2.575 0.000 8.909) 9.274 7.081 ( -4.988 0.000 2.422) 5.545 7.216 ( 14.736 -0.000 -3.191) 15.077 7.368 ( -8.631 0.000 -7.582) 11.488 7.580 ( -6.765 0.000 9.070) 11.315 7.728 ( -19.605 0.000 -13.901) 24.033 8.094 ( 2.336 -0.000 7.857) 8.197 8.394 ( -3.847 0.000 -1.478) 4.121 8.882 ( -10.967 0.000 10.257) 15.016 9.857 ( -3.104 0.000 -8.824) 9.354 9.905 ( -0.748 0.000 -10.966) 10.992 10.048 ( 8.901 -0.000 -5.191) 10.304 11.891 ( -7.216 0.000 4.268) 8.384 12.025 ( 0.454 -0.000 5.230) 5.250 13.091 ( -3.892 0.000 3.952) 5.547 13.204 ( -3.443 0.000 -6.418) 7.283 13.706 ( 7.803 -0.000 -9.676) 12.430 13.712 ( 10.627 -0.000 6.047) 12.227 14.610 ( -0.885 0.000 -2.005) 2.191 14.626 ( -2.605 0.000 3.745) 4.562 15.588 ( 8.730 -0.000 -10.621) 13.748 15.732 ( 7.946 -0.000 4.644) 9.203 20.505 ( -7.515 0.000 15.058) 16.829 21.163 ( 6.618 -0.000 -6.711) 9.425 21.431 ( 7.935 -0.000 0.058) 7.936 21.560 ( -4.121 0.000 -2.881) 5.028 22.432 ( 14.487 -0.000 15.486) 21.206 22.665 ( 6.789 -0.000 -20.841) 21.919 23.954 ( -6.894 0.000 -2.498) 7.333 24.750 ( -6.645 0.000 -0.726) 6.685 25.419 ( -4.873 0.000 5.102) 7.055 25.454 ( -1.053 0.000 -0.764) 1.300 ======================= Grid point 231 (107/227) ======================= q-point: ( 0.30 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -5.250 0.926 5.114) 7.387 2.313 ( -1.688 0.922 0.417) 1.968 2.756 ( 16.072 7.402 -9.052) 19.876 2.996 ( 3.578 1.306 20.596) 20.945 3.299 ( 13.132 8.850 -0.959) 15.865 3.469 ( 9.915 -1.724 -1.130) 10.127 4.124 ( -13.924 -8.708 1.935) 16.537 4.381 ( 8.491 7.481 -3.304) 11.789 4.790 ( 5.588 -13.038 2.908) 14.480 4.946 ( 0.946 0.850 3.837) 4.042 5.248 ( 0.901 0.926 -3.739) 3.956 5.556 ( 2.832 4.189 -7.457) 9.010 5.617 ( -11.439 1.964 -2.566) 11.886 5.675 ( 4.211 -3.924 0.019) 5.756 6.268 ( 6.905 0.528 9.090) 11.427 6.417 ( 7.886 -3.141 4.169) 9.458 6.856 ( 2.723 0.997 9.971) 10.384 6.953 ( 6.964 10.928 -3.643) 13.461 7.149 ( -10.681 2.299 -6.012) 12.471 7.342 ( -17.156 -8.558 -12.675) 22.983 7.462 ( 5.651 -2.419 2.574) 6.664 7.578 ( -4.722 -3.172 10.687) 12.106 8.113 ( -2.382 5.144 7.568) 9.456 8.400 ( 0.695 -2.325 3.243) 4.050 8.803 ( -10.937 -5.180 6.990) 13.975 9.745 ( -4.658 2.638 -12.954) 14.016 9.789 ( -0.472 0.488 -5.089) 5.134 10.156 ( 11.959 2.124 -7.399) 14.222 11.813 ( -3.196 2.697 0.850) 4.268 12.064 ( 1.342 2.739 4.298) 5.270 13.072 ( -4.075 -2.870 3.904) 6.331 13.098 ( -7.465 -2.945 -5.025) 9.468 13.795 ( 9.340 -2.729 -7.586) 12.338 13.884 ( 8.993 1.868 4.723) 10.328 14.580 ( -0.638 0.983 -0.761) 1.397 14.629 ( -1.970 -2.105 2.427) 3.768 15.553 ( 5.291 9.612 -6.419) 12.712 15.915 ( 4.287 -8.075 1.052) 9.202 20.483 ( -8.971 0.678 14.884) 17.392 21.204 ( 4.525 -1.832 -7.035) 8.562 21.401 ( 1.160 9.295 -1.600) 9.502 21.665 ( 6.750 -8.714 -0.641) 11.041 22.617 ( 5.317 1.526 -13.812) 14.879 22.648 ( 4.680 -0.384 -0.680) 4.744 23.928 ( 6.108 3.676 5.658) 9.101 24.636 ( -8.514 -1.857 -2.577) 9.087 25.316 ( -2.703 7.466 2.708) 8.389 25.507 ( -2.900 -8.402 2.263) 9.172 ======================= Grid point 232 (108/227) ======================= q-point: (-0.60 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -4.573 0.829 7.559) 8.874 2.262 ( -5.168 -0.246 -0.488) 5.197 2.821 ( 13.639 12.645 -8.801) 20.576 3.039 ( -4.355 7.706 7.034) 11.306 3.372 ( 13.649 2.770 -12.428) 18.666 3.460 ( -4.693 11.497 20.259) 23.762 4.077 ( -4.908 -2.288 -2.745) 6.071 4.479 ( 11.369 3.753 5.037) 12.989 4.947 ( -4.632 -2.252 8.187) 9.672 5.049 ( 2.589 -13.109 0.334) 13.366 5.278 ( 4.975 4.484 -1.389) 6.840 5.379 ( -6.202 -1.157 -0.173) 6.311 5.494 ( 6.548 7.605 -10.942) 14.848 5.946 ( 12.470 -9.352 4.326) 16.177 6.288 ( -1.180 4.103 -3.462) 5.497 6.556 ( 2.490 0.600 -1.750) 3.102 6.703 ( -7.530 -0.856 1.508) 7.727 6.914 ( -7.190 1.707 -2.154) 7.698 7.118 ( -12.547 -3.450 -5.201) 14.013 7.194 ( 11.094 5.474 1.975) 12.528 7.567 ( 4.946 -0.746 5.539) 7.463 7.666 ( -1.375 -6.043 9.730) 11.536 8.088 ( -2.526 0.001 8.110) 8.494 8.442 ( -1.137 0.863 4.323) 4.552 8.801 ( -6.069 -9.749 6.607) 13.249 9.510 ( -7.794 4.059 -15.489) 17.808 9.796 ( 3.796 0.991 -0.138) 3.926 10.244 ( 12.785 4.551 -9.911) 16.804 11.748 ( -0.601 3.034 -1.521) 3.447 12.072 ( 2.852 3.692 1.207) 4.819 12.984 ( -10.053 -4.724 -2.611) 11.411 13.086 ( -4.715 -5.467 4.076) 8.290 13.900 ( 7.393 2.887 -0.936) 7.991 14.018 ( 9.854 -0.597 -2.029) 10.079 14.563 ( -0.059 0.063 -0.689) 0.695 14.648 ( -1.534 -3.693 1.597) 4.306 15.470 ( 3.129 9.446 -3.864) 10.674 16.024 ( -0.245 -5.716 -1.049) 5.816 20.432 ( -10.115 0.817 14.319) 17.550 21.245 ( 2.420 -2.795 -5.210) 6.388 21.310 ( 0.470 5.409 -2.646) 6.040 21.847 ( 8.184 -2.675 1.267) 8.702 22.530 ( -0.190 6.893 -10.649) 12.687 22.658 ( 4.934 0.164 -10.610) 11.703 24.118 ( 14.102 2.126 11.552) 18.353 24.505 ( -9.283 -2.763 -4.444) 10.656 25.223 ( -2.152 5.628 1.920) 6.324 25.572 ( -3.712 -8.013 3.404) 9.464 ======================= Grid point 233 (109/227) ======================= q-point: (-0.50 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -6.947 0.461 6.246) 9.353 2.134 ( -11.790 -0.716 -0.544) 11.824 2.698 ( 1.369 14.468 -4.688) 15.270 2.937 ( -0.326 12.906 8.919) 15.691 3.411 ( -4.003 8.262 20.511) 22.472 3.523 ( 16.739 5.378 -6.013) 18.581 3.964 ( 0.516 8.374 -6.481) 10.602 4.547 ( 1.702 9.796 3.878) 10.672 4.977 ( -5.523 -5.357 10.975) 13.403 5.168 ( 0.759 -7.245 -1.739) 7.489 5.196 ( 1.123 12.852 -1.547) 12.993 5.412 ( 7.026 4.217 -1.551) 8.340 5.574 ( 8.012 -8.543 0.346) 11.718 6.106 ( -1.005 2.223 -4.435) 5.061 6.243 ( 4.952 2.000 -1.990) 5.699 6.412 ( -11.975 0.933 -4.975) 13.001 6.757 ( -2.242 -10.539 -1.052) 10.826 6.820 ( -5.077 -0.239 -1.353) 5.260 7.040 ( -0.138 -5.947 2.923) 6.629 7.139 ( 1.753 10.071 -0.247) 10.226 7.707 ( 3.090 -6.339 0.134) 7.054 7.849 ( 6.031 -4.396 14.638) 16.431 8.135 ( -2.298 -4.469 5.415) 7.387 8.415 ( -4.191 -0.056 3.025) 5.169 8.911 ( -0.048 -5.877 8.499) 10.333 9.229 ( -8.310 4.845 -14.296) 17.231 9.852 ( 4.705 2.290 1.457) 5.432 10.284 ( 11.802 7.421 -12.687) 18.850 11.739 ( 4.319 0.393 -0.458) 4.361 12.093 ( 4.236 1.089 -2.549) 5.062 12.873 ( -11.648 -5.141 1.099) 12.780 13.089 ( -6.775 -5.437 2.284) 8.982 13.916 ( 3.604 9.717 3.118) 10.823 14.166 ( 10.837 -3.286 -6.879) 13.250 14.565 ( 0.410 -0.621 -1.137) 1.358 14.695 ( -0.080 -5.636 0.545) 5.663 15.389 ( 2.772 8.818 -1.991) 9.455 16.017 ( -5.131 -2.361 -2.715) 6.267 20.372 ( -10.448 -0.052 14.224) 17.649 21.197 ( -2.633 3.425 -2.101) 4.804 21.321 ( 4.086 -1.720 -3.714) 5.783 21.975 ( 6.635 1.950 2.767) 7.448 22.324 ( -3.645 12.662 -7.055) 14.946 22.694 ( 10.398 -1.721 -13.781) 17.349 24.368 ( -5.811 -1.988 -6.179) 8.712 24.402 ( 11.826 -0.446 11.047) 16.189 25.154 ( -1.677 3.672 1.852) 4.441 25.613 ( -5.593 -6.894 3.554) 9.562 ======================= Grid point 234 (110/227) ======================= q-point: (-0.40 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -12.182 4.163 0.023) 12.873 2.062 ( -7.984 0.793 13.251) 15.490 2.591 ( 3.316 10.241 2.405) 11.030 2.814 ( -7.530 15.966 19.489) 26.295 3.371 ( 0.952 12.980 9.011) 15.830 3.636 ( 11.506 13.090 1.126) 17.464 3.840 ( 0.840 6.788 -6.962) 9.759 4.500 ( 6.338 11.039 6.226) 14.171 4.914 ( -3.906 8.856 -4.666) 10.745 5.025 ( -4.008 8.265 2.439) 9.504 5.259 ( 1.777 -1.579 1.299) 2.709 5.542 ( 6.864 -6.449 0.493) 9.432 5.699 ( -2.111 1.779 1.384) 3.088 6.045 ( -10.148 4.690 -7.275) 13.338 6.078 ( -12.215 -3.336 -8.421) 15.207 6.236 ( 3.768 0.782 2.705) 4.704 6.728 ( -6.944 0.186 2.063) 7.246 6.831 ( 3.847 -3.509 -1.497) 5.418 7.206 ( 4.943 -10.093 -2.724) 11.563 7.252 ( 11.043 -6.793 8.477) 15.491 7.818 ( 1.043 -7.242 1.420) 7.454 8.048 ( 3.813 -2.907 6.101) 7.760 8.177 ( -2.078 -3.250 4.121) 5.645 8.376 ( -5.828 -2.170 2.582) 6.734 8.867 ( -8.158 2.832 -9.960) 13.182 9.140 ( 4.319 0.517 10.199) 11.088 9.878 ( 2.457 4.470 -0.192) 5.105 10.259 ( 10.602 8.982 -13.882) 19.642 11.880 ( 11.142 -4.001 1.906) 11.991 12.137 ( 4.658 -1.665 -4.827) 6.912 12.769 ( -11.950 -4.591 3.646) 13.311 13.027 ( -10.144 -4.118 0.067) 10.949 13.846 ( 0.842 11.994 3.140) 12.426 14.308 ( 10.139 -2.748 -6.857) 12.545 14.564 ( -0.233 -1.053 -2.732) 2.938 14.770 ( 0.901 -6.228 -1.517) 6.473 15.342 ( 5.733 8.535 -0.639) 10.302 15.885 ( -10.407 1.237 -4.245) 11.307 20.328 ( -9.898 -1.425 15.110) 18.119 21.105 ( -2.145 4.398 -0.841) 4.965 21.374 ( 3.734 -0.755 -2.160) 4.379 22.015 ( -1.243 4.788 -8.577) 9.902 22.084 ( 1.324 14.627 4.689) 15.417 22.811 ( 12.450 -3.261 -10.897) 16.864 24.269 ( -3.347 -2.815 -6.194) 7.582 24.637 ( 9.017 0.148 6.475) 11.102 25.130 ( 0.945 1.585 3.150) 3.651 25.599 ( -8.898 -5.242 3.073) 10.775 ======================= Grid point 235 (111/227) ======================= q-point: (-0.30 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 1.331 8.722 13.178) 15.859 2.011 ( -10.653 3.516 18.340) 21.499 2.566 ( 2.334 7.465 4.684) 9.116 2.662 ( -7.696 13.681 20.861) 26.107 3.305 ( 7.081 16.902 6.543) 19.458 3.469 ( -2.112 33.073 11.046) 34.933 3.799 ( 3.311 1.299 -8.330) 9.057 4.510 ( 0.849 10.085 3.397) 10.675 4.727 ( 2.942 9.694 -3.650) 10.769 4.947 ( -3.444 9.504 2.924) 10.523 5.272 ( 1.468 3.241 -0.751) 3.636 5.276 ( -23.430 -0.519 -11.051) 25.910 5.794 ( -4.484 -4.731 -6.103) 8.930 5.846 ( 4.483 -5.031 -4.093) 7.884 5.993 ( 0.067 -4.138 -1.719) 4.481 6.422 ( 7.014 -2.437 7.283) 10.401 6.672 ( -5.616 -2.893 7.019) 9.443 6.948 ( 6.793 -2.761 1.616) 7.508 7.331 ( -1.303 -9.832 -3.651) 10.569 7.579 ( 10.973 -10.730 6.557) 16.689 7.903 ( -0.816 -4.131 1.462) 4.457 8.045 ( -3.793 7.383 -5.523) 9.970 8.210 ( -1.131 -1.661 3.233) 3.807 8.331 ( -2.397 -4.835 -1.678) 5.651 8.731 ( -5.327 -4.399 3.104) 7.574 9.298 ( 6.962 2.224 12.343) 14.345 9.808 ( -0.867 6.766 -3.987) 7.901 10.247 ( 11.443 5.858 -11.621) 17.329 12.152 ( 14.311 -4.943 0.235) 15.142 12.217 ( 6.067 -5.019 -0.436) 7.886 12.674 ( -10.433 -4.047 3.502) 11.726 12.879 ( -13.681 -2.164 -1.989) 13.994 13.730 ( -0.661 12.302 3.168) 12.720 14.432 ( 9.457 -1.044 -6.484) 11.514 14.540 ( -1.304 -1.634 -4.600) 5.053 14.813 ( -1.526 -5.148 -4.496) 7.003 15.373 ( 11.789 8.609 -0.837) 14.622 15.623 ( -15.371 5.233 -4.673) 16.897 20.326 ( -8.327 -2.924 16.829) 19.002 21.032 ( -0.179 5.203 0.786) 5.265 21.415 ( 2.793 0.701 -0.594) 2.941 21.735 ( -6.597 13.505 -9.111) 17.576 22.091 ( 5.150 7.461 3.634) 9.767 22.948 ( 8.905 -3.476 -10.179) 13.964 24.286 ( 5.320 -4.609 -2.179) 7.369 24.727 ( 0.560 0.306 0.453) 0.782 25.209 ( 6.641 -0.231 4.870) 8.238 25.505 ( -12.816 -3.336 2.902) 13.557 ======================= Grid point 236 (112/227) ======================= q-point: (-0.20 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 11.748 11.287 20.150) 25.912 1.943 ( -8.057 6.670 24.877) 26.986 2.486 ( -7.337 6.865 3.349) 10.592 2.618 ( 1.040 10.690 17.413) 20.459 3.135 ( 1.955 34.957 19.189) 39.925 3.343 ( 12.735 15.045 12.287) 23.227 3.679 ( -0.135 11.348 -13.598) 17.711 4.303 ( -20.377 9.576 -6.702) 23.491 4.541 ( -12.851 10.273 3.730) 16.869 4.716 ( 4.559 6.080 1.087) 7.677 5.210 ( 3.591 -5.965 -5.235) 8.711 5.306 ( 4.460 -3.612 -3.710) 6.834 5.698 ( -3.953 -8.931 -7.397) 12.252 5.911 ( -2.169 -7.677 -6.874) 10.531 6.189 ( 15.744 -0.954 3.674) 16.195 6.476 ( -4.129 0.360 -0.954) 4.253 6.740 ( -4.097 -8.250 12.370) 15.423 7.039 ( -1.844 2.098 0.651) 2.868 7.394 ( -2.428 -10.589 4.687) 11.832 7.715 ( -7.576 8.614 -5.220) 12.603 7.837 ( 1.561 -0.864 -10.363) 10.516 7.948 ( 1.625 -0.205 8.268) 8.429 8.206 ( -1.376 -0.617 -1.873) 2.405 8.435 ( 6.102 -7.962 0.244) 10.034 8.814 ( -2.968 -9.133 11.985) 15.357 9.448 ( 3.781 -1.679 7.093) 8.211 9.700 ( 1.556 6.389 -1.665) 6.783 10.290 ( 9.359 0.873 -12.221) 15.417 12.275 ( -1.151 -2.374 3.073) 4.050 12.510 ( 14.053 -9.091 2.799) 16.970 12.631 ( -2.502 -5.263 0.728) 5.872 12.659 ( -11.549 1.291 -4.063) 12.311 13.604 ( -1.131 11.836 3.644) 12.436 14.422 ( -0.077 4.634 -12.614) 13.438 14.591 ( 7.002 -4.077 -1.974) 8.339 14.783 ( -3.743 -3.876 -6.408) 8.372 15.239 ( -16.458 10.254 -1.415) 19.442 15.502 ( 15.024 7.929 -2.621) 17.189 20.379 ( -6.717 -4.171 18.577) 20.189 21.004 ( 2.854 4.597 2.014) 5.773 21.374 ( -8.684 4.977 -2.057) 10.218 21.501 ( 5.969 10.101 -3.837) 12.345 22.091 ( 3.979 8.136 1.391) 9.163 22.973 ( 3.032 -0.636 -14.758) 15.080 24.484 ( 6.512 -7.777 3.200) 10.636 24.700 ( -0.171 -1.969 -3.196) 3.758 25.329 ( -8.103 -0.316 5.534) 9.818 25.388 ( 2.269 -2.843 2.779) 4.577 ======================= Grid point 237 (113/227) ======================= q-point: (-0.10 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -4.821 5.666 26.638) 27.657 2.037 ( 9.166 22.233 17.039) 29.473 2.349 ( 0.284 0.648 2.701) 2.792 2.602 ( -6.287 6.456 15.561) 17.982 3.147 ( 19.811 21.923 26.239) 39.517 3.422 ( 1.347 12.061 -16.339) 20.354 3.487 ( 10.311 15.169 8.159) 20.075 3.764 ( -18.149 7.107 -0.437) 19.496 4.460 ( -2.382 1.976 6.859) 7.525 4.709 ( 3.639 7.093 2.045) 8.231 5.277 ( 3.057 -3.237 -3.485) 5.654 5.426 ( 5.704 -9.996 -7.221) 13.587 5.734 ( -5.246 -12.425 -6.043) 14.780 5.973 ( 6.958 -7.507 -5.254) 11.505 6.310 ( -9.920 2.926 -4.951) 11.466 6.437 ( 9.453 -1.462 0.477) 9.577 6.800 ( -15.110 7.214 3.474) 17.100 6.856 ( -6.193 -5.228 8.116) 11.470 7.517 ( -0.693 -1.710 3.377) 3.848 7.530 ( -2.769 1.718 -1.380) 3.538 7.717 ( 1.137 7.927 -6.538) 10.338 7.993 ( -8.593 -4.004 5.823) 11.126 8.182 ( 3.622 3.743 -3.959) 6.542 8.641 ( 4.336 -11.014 -0.858) 11.868 8.957 ( -2.300 -6.083 12.785) 14.344 9.512 ( -0.256 -3.019 1.092) 3.221 9.758 ( 6.626 -3.773 1.658) 7.803 10.305 ( 3.652 -2.107 -14.938) 15.521 12.174 ( -16.241 -1.614 2.793) 16.558 12.438 ( -14.216 -2.187 -0.344) 14.387 12.808 ( 15.940 -4.417 -2.697) 16.759 12.837 ( 14.168 -5.895 3.877) 15.827 13.486 ( -1.084 10.795 3.908) 11.532 14.190 ( -3.406 13.138 -16.052) 21.021 14.705 ( -1.903 -1.382 -4.942) 5.473 14.759 ( 5.396 -5.628 -2.424) 8.165 14.944 ( -9.778 4.118 5.117) 11.779 15.615 ( 16.711 10.346 -5.172) 20.324 20.454 ( -6.893 -3.433 18.483) 20.023 21.037 ( 2.761 1.457 1.077) 3.302 21.185 ( -2.090 4.549 -1.013) 5.108 21.532 ( 9.704 6.601 1.437) 11.824 22.036 ( 1.743 11.263 1.561) 11.504 22.882 ( 2.354 1.745 -18.419) 18.651 24.472 ( -13.286 -5.528 -2.350) 14.580 24.858 ( 9.919 -3.762 -0.585) 10.625 25.216 ( -11.104 -5.340 7.330) 14.337 25.534 ( 6.979 -1.227 2.002) 7.363 ======================= Grid point 241 (114/227) ======================= q-point: ( 0.30 0.30 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -4.644 0.000 7.020) 8.417 2.261 ( -6.521 0.000 -0.375) 6.532 2.977 ( 18.017 -0.000 -9.451) 20.345 3.117 ( -5.506 0.000 0.916) 5.582 3.409 ( 8.965 -0.000 -3.970) 9.804 3.793 ( 15.016 -0.000 15.069) 21.273 3.824 ( -15.196 0.000 6.283) 16.443 4.635 ( 14.051 -0.000 0.332) 14.055 4.734 ( -1.819 0.000 4.208) 4.585 4.981 ( 0.369 -0.000 4.393) 4.408 5.337 ( 11.158 -0.000 -3.172) 11.600 5.369 ( -12.095 0.000 -2.520) 12.355 5.611 ( 6.147 -0.000 -11.655) 13.176 5.810 ( 11.978 -0.000 5.616) 13.230 6.386 ( 4.200 -0.000 2.138) 4.713 6.428 ( -0.150 0.000 -5.127) 5.129 6.854 ( -16.287 0.000 -10.779) 19.531 6.929 ( -6.669 0.000 8.174) 10.550 7.006 ( -9.228 0.000 -11.291) 14.582 7.270 ( 18.792 -0.000 1.878) 18.885 7.541 ( 4.254 -0.000 -0.007) 4.254 7.594 ( -4.543 0.000 22.117) 22.579 8.116 ( -7.733 0.000 5.548) 9.517 8.485 ( 6.541 -0.000 9.691) 11.691 8.633 ( -12.142 0.000 4.661) 13.005 9.557 ( -8.030 0.000 -15.325) 17.301 9.809 ( 4.054 -0.000 -0.605) 4.099 10.298 ( 13.380 -0.000 -9.402) 16.353 11.788 ( -1.634 0.000 -1.440) 2.178 12.121 ( 0.747 -0.000 1.422) 1.606 12.924 ( -8.701 0.000 -4.663) 9.872 13.020 ( -5.119 0.000 6.158) 8.007 13.890 ( 13.115 -0.000 -8.479) 15.617 14.058 ( 7.005 -0.000 6.416) 9.499 14.561 ( -1.070 0.000 -2.270) 2.509 14.601 ( -2.231 0.000 2.048) 3.029 15.603 ( 2.586 -0.000 -9.792) 10.127 15.934 ( 1.079 -0.000 4.466) 4.594 20.442 ( -10.927 0.000 14.869) 18.452 21.210 ( 4.827 -0.000 -7.734) 9.117 21.385 ( -3.760 0.000 -3.827) 5.365 21.805 ( 12.746 -0.000 3.231) 13.149 22.601 ( 9.140 -0.000 -21.474) 23.338 22.670 ( -2.553 0.000 1.818) 3.134 24.152 ( 12.821 -0.000 10.182) 16.372 24.469 ( -9.646 0.000 -3.337) 10.207 25.380 ( -3.016 0.000 -1.972) 3.603 25.382 ( -3.247 0.000 6.750) 7.490 ======================= Grid point 242 (115/227) ======================= q-point: (-0.60 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -6.425 0.874 5.913) 8.776 2.113 ( -11.509 -0.954 0.101) 11.548 2.928 ( -4.898 5.223 -9.660) 12.024 3.158 ( 14.324 5.731 -4.215) 15.993 3.542 ( -2.833 2.773 26.316) 26.613 3.664 ( 3.698 6.499 -5.784) 9.453 4.077 ( 6.302 0.631 6.883) 9.354 4.666 ( 1.724 3.741 2.602) 4.872 4.824 ( -7.228 -7.840 6.915) 12.709 5.047 ( 3.777 -1.474 3.420) 5.304 5.365 ( 9.455 -1.801 1.713) 9.776 5.456 ( 10.324 5.406 -1.939) 11.814 5.593 ( 7.598 3.889 -12.697) 15.299 6.041 ( 7.619 -3.995 1.921) 8.815 6.333 ( 3.928 5.019 -5.308) 8.294 6.501 ( -9.994 3.481 -8.491) 13.568 6.543 ( -0.394 -6.504 -1.764) 6.750 6.831 ( -2.069 0.854 -9.322) 9.587 6.894 ( -9.110 -5.273 4.229) 11.344 7.397 ( 1.260 8.890 3.272) 9.556 7.583 ( -1.805 -4.006 2.954) 5.294 7.762 ( 4.782 -2.556 17.182) 18.018 8.026 ( -9.218 -3.951 4.463) 10.977 8.462 ( -7.508 3.602 3.915) 9.202 8.745 ( 6.688 -6.964 12.298) 15.635 9.310 ( -8.994 1.981 -15.031) 17.628 9.887 ( 5.954 0.786 1.572) 6.208 10.414 ( 13.836 3.339 -11.355) 18.208 11.758 ( 0.408 0.821 -1.132) 1.457 12.114 ( 0.373 0.508 -3.142) 3.204 12.784 ( -9.391 -2.216 -0.796) 9.682 12.999 ( -5.396 -2.267 4.946) 7.663 14.042 ( 13.404 0.781 -6.029) 14.718 14.166 ( 5.311 3.249 3.616) 7.200 14.538 ( -0.526 -1.945 -2.707) 3.375 14.589 ( -2.400 -2.516 0.480) 3.510 15.545 ( 2.098 4.251 -7.273) 8.681 15.962 ( -3.091 -1.913 2.446) 4.382 20.371 ( -11.874 0.022 14.570) 18.796 21.233 ( 3.811 0.183 -6.467) 7.509 21.315 ( -0.514 0.627 -2.678) 2.798 21.994 ( 8.578 0.196 3.342) 9.209 22.558 ( 3.119 7.272 -9.962) 12.723 22.657 ( 6.099 -2.031 -10.576) 12.376 24.314 ( -8.993 -1.619 -3.368) 9.739 24.417 ( 13.286 0.651 9.999) 16.641 25.260 ( -3.321 5.701 0.358) 6.608 25.443 ( -4.344 -7.540 4.208) 9.666 ======================= Grid point 243 (116/227) ======================= q-point: (-0.50 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -10.467 0.509 1.312) 10.562 2.071 ( -6.024 0.135 10.106) 11.766 2.786 ( -0.809 6.581 -0.479) 6.648 3.175 ( 0.132 14.708 10.830) 18.265 3.564 ( -5.280 4.289 18.392) 19.610 3.731 ( 13.030 0.888 -10.177) 16.557 4.101 ( 4.503 11.239 2.593) 12.382 4.643 ( 0.603 0.717 -0.373) 1.009 4.892 ( -8.787 -6.554 12.021) 16.269 5.112 ( 1.556 -1.240 -1.433) 2.452 5.392 ( 8.564 11.492 -3.019) 14.647 5.569 ( 5.681 6.366 -11.078) 13.983 5.676 ( 14.297 -1.134 6.206) 15.627 6.027 ( -9.903 -0.914 -8.650) 13.180 6.216 ( -8.573 3.271 -3.725) 9.903 6.316 ( 1.253 9.023 -3.080) 9.616 6.697 ( 7.642 -4.006 -3.032) 9.146 6.777 ( 2.601 -1.260 -0.445) 2.924 6.934 ( -2.172 -11.004 2.101) 11.411 7.279 ( 0.430 7.945 1.848) 8.169 7.635 ( -5.685 -8.404 7.680) 12.725 7.944 ( 1.965 -5.765 5.301) 8.075 8.033 ( -4.398 -8.203 6.672) 11.452 8.361 ( -6.525 0.801 4.312) 7.862 8.890 ( -6.056 -1.086 -6.860) 9.215 9.154 ( 4.321 1.063 5.519) 7.089 9.962 ( 4.560 2.681 1.377) 5.466 10.459 ( 11.829 7.753 -13.436) 19.508 11.805 ( 5.402 -2.677 1.729) 6.272 12.102 ( 1.771 -1.384 -5.264) 5.724 12.680 ( -9.532 -2.941 2.255) 10.228 12.956 ( -7.337 -2.075 1.716) 7.816 14.099 ( 2.880 10.202 2.551) 10.904 14.254 ( 10.486 -1.736 -6.190) 12.300 14.537 ( -0.630 -1.361 -2.848) 3.218 14.617 ( -0.194 -7.049 -1.464) 7.202 15.497 ( 4.360 5.045 -4.019) 7.786 15.902 ( -7.665 0.328 0.122) 7.673 20.303 ( -11.191 -0.754 14.770) 18.547 21.202 ( 0.603 4.082 -2.088) 4.624 21.345 ( 4.518 -1.901 -3.311) 5.915 22.077 ( 2.316 1.697 -1.299) 3.151 22.420 ( 0.465 13.038 -1.384) 13.119 22.745 ( 12.640 -2.773 -13.790) 18.911 24.203 ( -5.719 -2.692 -2.898) 6.954 24.644 ( 9.395 0.381 6.224) 11.276 25.175 ( -1.884 2.468 1.196) 3.327 25.468 ( -6.722 -5.908 4.177) 9.876 ======================= Grid point 244 (117/227) ======================= q-point: (-0.40 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.684 2.377 10.705) 11.094 2.049 ( -6.715 0.739 12.066) 13.829 2.727 ( -0.561 7.608 7.020) 10.367 3.030 ( -7.764 16.698 20.291) 27.401 3.588 ( 2.772 5.909 9.310) 11.370 3.814 ( 8.844 2.207 -7.751) 11.965 4.034 ( 3.802 16.200 4.492) 17.236 4.679 ( -0.716 3.364 1.445) 3.730 4.807 ( -4.394 -5.734 -7.175) 10.182 5.067 ( -3.474 8.730 -1.352) 9.492 5.377 ( 5.599 8.027 -4.490) 10.767 5.457 ( -9.830 7.808 -2.032) 12.717 5.756 ( -9.205 -0.387 -11.631) 14.838 5.888 ( 2.920 11.706 1.349) 12.140 5.945 ( 0.733 -0.217 -3.069) 3.162 6.376 ( 6.913 -0.990 8.359) 10.893 6.729 ( -0.219 7.075 2.849) 7.630 6.881 ( 6.723 -2.637 1.384) 7.353 7.071 ( 0.861 -13.912 -3.906) 14.476 7.358 ( 6.184 -7.015 2.666) 9.724 7.718 ( -5.279 -11.153 8.100) 14.761 8.054 ( 1.348 -7.085 -0.169) 7.214 8.118 ( -1.496 -6.279 4.120) 7.658 8.290 ( -7.085 1.598 4.221) 8.400 8.661 ( -10.403 -1.743 -9.862) 14.440 9.341 ( 8.419 1.563 11.828) 14.602 9.961 ( 1.282 5.968 -0.563) 6.130 10.419 ( 9.047 8.928 -13.858) 18.804 12.005 ( 9.864 -7.666 4.176) 13.172 12.138 ( 4.826 -2.254 -3.249) 6.239 12.594 ( -8.796 -2.885 2.788) 9.668 12.844 ( -9.712 -0.826 -2.099) 9.970 13.997 ( -1.398 11.336 2.527) 11.698 14.388 ( 9.166 -2.292 -5.000) 10.689 14.510 ( -1.486 -1.263 -4.282) 4.706 14.684 ( 0.854 -6.211 -4.596) 7.774 15.521 ( 9.221 4.754 -1.620) 10.501 15.727 ( -12.088 3.882 -1.529) 12.788 20.269 ( -9.375 -1.980 15.669) 18.367 21.156 ( 1.672 5.711 0.445) 5.967 21.412 ( 4.382 -1.018 -2.172) 4.996 21.980 ( -3.305 7.324 -9.429) 12.388 22.313 ( 2.911 11.851 5.004) 13.190 22.874 ( 11.247 -2.980 -12.223) 16.875 24.188 ( 0.928 -4.063 -0.502) 4.198 24.732 ( -0.344 0.083 -0.722) 0.804 25.197 ( 4.134 -0.751 4.002) 5.803 25.427 ( -9.573 -3.293 4.148) 10.940 ======================= Grid point 245 (118/227) ======================= q-point: (-0.30 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -3.974 2.374 14.163) 14.901 2.037 ( 7.364 2.472 15.104) 16.985 2.662 ( -5.455 9.720 14.298) 18.129 2.921 ( -2.017 14.605 21.164) 25.793 3.651 ( 9.009 9.417 11.292) 17.243 3.763 ( -2.358 13.182 -2.045) 13.547 3.960 ( 10.768 16.650 -0.630) 19.839 4.468 ( -14.071 5.240 -8.912) 17.461 4.782 ( -4.263 3.018 0.973) 5.313 4.878 ( -22.384 9.124 -9.524) 25.981 5.046 ( 4.006 4.782 -6.358) 8.907 5.372 ( 6.555 4.451 -0.948) 7.980 5.605 ( -3.727 1.128 -10.273) 10.986 5.818 ( 1.705 -1.097 -3.343) 3.910 6.163 ( 14.740 -0.784 7.469) 16.543 6.484 ( -0.639 0.487 1.999) 2.154 6.675 ( -2.699 3.416 8.067) 9.167 7.041 ( 6.241 -2.503 4.639) 8.169 7.151 ( -3.936 -9.972 -0.500) 10.733 7.597 ( 6.994 -13.553 0.463) 15.258 7.780 ( -9.504 -6.926 5.173) 12.847 8.013 ( -6.826 4.673 -6.734) 10.667 8.200 ( 0.234 -0.082 -0.377) 0.452 8.228 ( -0.013 -10.295 1.782) 10.448 8.615 ( -2.673 -8.717 5.370) 10.581 9.479 ( 5.003 3.156 6.417) 8.728 9.879 ( 0.666 8.519 -0.738) 8.576 10.354 ( 5.712 5.203 -13.659) 15.693 12.204 ( -1.249 -5.644 5.224) 7.792 12.308 ( 10.463 -6.810 1.075) 12.530 12.541 ( -2.402 -2.751 1.726) 4.040 12.683 ( -6.135 0.473 -5.550) 8.286 13.858 ( -2.885 10.749 2.999) 11.526 14.458 ( -2.229 -0.945 -5.959) 6.432 14.509 ( 6.486 -3.309 -3.377) 8.026 14.705 ( 1.024 -2.555 -7.124) 7.637 15.444 ( -15.056 7.891 -1.568) 17.070 15.635 ( 13.550 4.113 -1.609) 14.251 20.288 ( -7.334 -3.535 16.688) 18.569 21.132 ( 3.228 6.494 1.959) 7.512 21.443 ( 0.220 1.738 -1.234) 2.143 21.757 ( -0.664 10.923 -9.364) 14.403 22.285 ( 3.925 9.139 4.316) 10.842 22.943 ( 5.817 -1.805 -13.291) 14.620 24.320 ( 6.056 -6.596 3.372) 9.569 24.655 ( -6.491 -1.948 -4.788) 8.298 25.315 ( -8.367 -1.848 4.300) 9.587 25.341 ( 4.460 -0.660 4.311) 6.238 ======================= Grid point 246 (119/227) ======================= q-point: (-0.20 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -8.043 1.586 17.902) 19.689 2.279 ( 9.863 -0.637 9.096) 13.432 2.563 ( -2.657 14.192 14.975) 20.803 2.863 ( -6.002 16.910 22.487) 28.769 3.556 ( -1.269 12.199 1.451) 12.350 3.821 ( 15.655 11.893 13.506) 23.853 3.837 ( 3.935 22.202 -8.858) 24.226 4.028 ( -15.362 16.347 -5.430) 23.080 4.468 ( -10.443 0.721 -1.147) 10.530 4.765 ( 0.394 -2.034 3.297) 3.894 5.144 ( 6.051 -9.271 -9.347) 14.489 5.393 ( 6.604 9.537 -5.057) 12.655 5.538 ( -0.821 -4.712 -3.106) 5.703 5.858 ( 6.303 -3.133 -6.898) 9.855 6.366 ( -8.469 2.517 -4.405) 9.872 6.430 ( 10.074 0.353 4.388) 10.993 6.684 ( -5.536 -4.154 10.934) 12.940 7.008 ( -6.790 6.457 1.667) 9.518 7.320 ( 0.912 -11.622 8.631) 14.505 7.615 ( -9.851 4.194 -0.356) 10.712 7.797 ( 3.117 -6.674 -4.960) 8.881 7.872 ( -9.342 -5.151 -0.633) 10.687 8.231 ( 4.419 0.827 -1.568) 4.762 8.361 ( -1.721 -12.009 3.083) 12.517 8.776 ( 2.915 -8.948 8.323) 12.563 9.519 ( 3.048 3.382 1.487) 4.789 9.817 ( 2.563 6.576 1.025) 7.132 10.278 ( 1.434 0.619 -14.698) 14.781 12.161 ( -13.539 -0.449 3.850) 14.083 12.335 ( -12.675 -5.851 -1.475) 14.039 12.709 ( 12.865 -5.704 1.856) 14.195 12.738 ( 15.949 -2.037 -1.777) 16.177 13.718 ( -3.713 9.756 3.704) 11.077 14.366 ( -2.176 3.129 -8.699) 9.497 14.601 ( -0.340 -6.977 -4.392) 8.251 14.707 ( 6.733 1.254 -5.458) 8.758 15.116 ( -14.671 9.206 1.652) 17.399 15.785 ( 15.075 4.924 -3.456) 16.231 20.353 ( -6.394 -4.860 17.068) 18.863 21.130 ( 3.528 6.226 2.048) 7.443 21.323 ( -4.947 6.860 -3.038) 8.987 21.681 ( 8.652 6.356 -3.785) 11.384 22.270 ( 4.167 9.456 3.701) 10.976 22.909 ( 2.814 0.485 -15.976) 16.229 24.356 ( -13.874 -4.383 -2.854) 14.827 24.701 ( 8.965 -8.534 1.400) 12.457 25.186 ( -10.535 1.117 5.618) 11.992 25.493 ( 6.847 -2.331 2.728) 7.730 ======================= Grid point 247 (120/227) ======================= q-point: (-0.10 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -5.577 -2.282 19.020) 19.952 2.337 ( -3.286 7.148 2.710) 8.321 2.540 ( 8.017 14.841 10.646) 19.946 2.687 ( -11.055 9.265 19.717) 24.430 3.328 ( -16.252 7.213 -11.843) 21.364 3.515 ( 1.187 12.567 -10.394) 16.352 3.857 ( 17.525 20.501 14.933) 30.829 4.092 ( 14.737 8.776 15.228) 22.937 4.465 ( 2.037 -6.666 4.568) 8.334 4.857 ( 7.882 1.814 4.411) 9.213 5.280 ( 3.936 -11.399 -7.450) 14.175 5.333 ( 4.760 7.864 -5.318) 10.620 5.568 ( 1.183 -4.864 -5.085) 7.135 5.979 ( 5.117 -7.613 -6.099) 11.015 6.107 ( -11.917 4.495 -7.529) 14.795 6.433 ( -12.151 3.225 0.999) 12.611 6.756 ( -4.381 -5.394 13.016) 14.755 6.870 ( 1.663 9.003 2.968) 9.625 7.411 ( -2.842 -5.230 -7.609) 9.661 7.525 ( -4.809 0.322 11.081) 12.084 7.750 ( -6.449 -1.704 -4.380) 7.980 7.855 ( -1.852 -2.441 3.817) 4.895 8.241 ( 1.586 3.463 -4.287) 5.735 8.469 ( -6.015 -11.960 2.500) 13.619 8.967 ( 2.268 -5.779 7.871) 10.025 9.565 ( 6.690 0.886 0.748) 6.789 9.815 ( 2.731 1.085 -1.151) 3.156 10.180 ( -2.145 -2.314 -15.145) 15.470 11.943 ( -14.629 0.357 0.330) 14.637 12.198 ( -12.106 -4.352 0.210) 12.866 12.989 ( 13.638 -1.117 0.123) 13.684 13.013 ( 15.153 -7.324 1.762) 16.922 13.580 ( -4.505 8.475 3.697) 10.286 14.195 ( -1.173 10.428 -10.815) 15.069 14.588 ( -2.615 -3.737 -5.285) 6.981 14.800 ( 3.047 0.779 -2.392) 3.951 14.906 ( -3.236 -0.143 5.973) 6.795 15.905 ( 13.841 7.052 -5.168) 16.371 20.427 ( -6.867 -4.643 16.648) 18.597 21.083 ( -1.043 5.109 -0.462) 5.235 21.233 ( 3.306 3.572 -1.830) 5.200 21.761 ( 10.863 3.813 -1.147) 11.570 22.249 ( 5.204 12.193 6.447) 14.742 22.819 ( 3.376 1.803 -18.321) 18.717 24.127 ( -18.904 -6.652 -5.046) 20.666 24.935 ( 7.227 -4.491 -0.325) 8.515 25.081 ( -8.348 -2.235 7.640) 11.534 25.615 ( 3.975 -1.446 2.355) 4.842 ======================= Grid point 252 (121/227) ======================= q-point: ( 0.40 -0.60 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -10.531 0.000 2.317) 10.783 2.072 ( -5.292 0.000 8.961) 10.407 2.861 ( -1.418 0.000 -2.038) 2.483 3.373 ( 13.040 -0.000 -7.871) 15.231 3.606 ( -17.383 0.000 30.046) 34.712 3.726 ( 9.638 -0.000 -5.253) 10.977 4.252 ( 6.055 -0.000 7.224) 9.426 4.619 ( -5.537 0.000 -3.434) 6.516 4.773 ( -5.391 0.000 14.776) 15.728 5.114 ( 3.353 -0.000 -0.616) 3.409 5.597 ( 16.116 -0.000 2.031) 16.244 5.606 ( 6.577 -0.000 -14.374) 15.807 5.658 ( 13.847 -0.000 -2.832) 14.134 6.025 ( -7.926 0.000 -9.320) 12.234 6.258 ( -10.611 0.000 -3.751) 11.254 6.453 ( 10.683 -0.000 -2.639) 11.004 6.628 ( 13.015 -0.000 -2.627) 13.277 6.751 ( -11.557 0.000 6.088) 13.063 6.801 ( 8.030 -0.000 -7.215) 10.795 7.463 ( -8.690 0.000 10.606) 13.712 7.497 ( -6.039 0.000 0.787) 6.090 7.828 ( -7.326 0.000 -0.643) 7.354 7.929 ( -0.510 0.000 14.322) 14.331 8.380 ( -7.728 0.000 5.096) 9.257 8.864 ( -1.968 0.000 -3.045) 3.625 9.171 ( 2.585 -0.000 2.296) 3.458 9.992 ( 5.393 -0.000 1.728) 5.663 10.554 ( 12.973 -0.000 -13.025) 18.383 11.772 ( 1.472 -0.000 1.700) 2.249 12.084 ( 0.884 -0.000 -5.307) 5.380 12.646 ( -8.237 0.000 1.366) 8.349 12.934 ( -5.876 0.000 2.483) 6.379 14.217 ( 14.359 -0.000 -6.764) 15.872 14.268 ( 1.190 -0.000 4.068) 4.239 14.484 ( -0.002 0.000 -4.131) 4.131 14.536 ( -2.514 0.000 -1.320) 2.839 15.555 ( 3.470 -0.000 -6.098) 7.016 15.904 ( -6.356 0.000 2.454) 6.813 20.295 ( -11.625 0.000 14.667) 18.716 21.272 ( 6.164 -0.000 -6.700) 9.104 21.300 ( 0.207 -0.000 0.483) 0.525 22.095 ( 2.797 -0.000 0.023) 2.797 22.602 ( -1.713 0.000 0.110) 1.717 22.688 ( 15.541 -0.000 -17.414) 23.341 24.169 ( -6.506 0.000 -1.572) 6.693 24.649 ( 9.164 -0.000 6.086) 11.001 25.219 ( -5.212 0.000 -1.004) 5.308 25.381 ( -3.439 0.000 6.131) 7.030 ======================= Grid point 254 (122/227) ======================= q-point: (-0.50 0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 1.185 0.264 11.351) 11.415 2.058 ( -4.978 0.175 9.475) 10.705 2.861 ( 2.274 3.470 5.585) 6.957 3.364 ( -4.050 11.980 6.977) 14.443 3.581 ( -5.038 -4.047 9.053) 11.123 3.846 ( 6.705 -0.590 2.083) 7.046 4.312 ( 3.794 10.054 5.457) 12.053 4.601 ( 1.070 -7.021 -0.627) 7.130 4.735 ( -14.607 -1.843 5.393) 15.680 5.132 ( 1.823 -0.091 -1.531) 2.383 5.554 ( 3.689 7.393 -13.718) 16.014 5.717 ( -11.371 3.665 -12.471) 17.270 5.748 ( 9.253 5.773 -2.940) 11.295 5.908 ( 14.258 -2.051 0.043) 14.404 6.141 ( -4.389 4.462 -5.453) 8.301 6.478 ( 0.683 10.608 6.270) 12.341 6.732 ( 0.473 -13.260 -0.058) 13.268 6.810 ( 10.085 -0.770 -1.223) 10.188 6.943 ( 9.965 4.935 1.622) 11.238 7.313 ( -7.700 3.006 3.169) 8.853 7.472 ( -6.834 -8.840 6.221) 12.788 7.806 ( -2.897 -10.464 -0.311) 10.862 8.019 ( -1.469 -2.806 9.362) 9.883 8.324 ( -6.038 1.014 9.143) 11.003 8.641 ( -12.885 -0.378 -15.662) 20.285 9.365 ( 9.901 0.557 12.510) 15.963 10.052 ( 2.604 2.033 1.009) 3.454 10.591 ( 8.308 4.898 -14.927) 17.771 11.859 ( 4.234 -4.122 5.562) 8.115 12.104 ( 5.730 -0.788 -3.033) 6.531 12.549 ( -7.128 -1.051 1.619) 7.385 12.838 ( -7.535 0.076 -1.996) 7.795 14.220 ( -2.913 7.770 1.415) 8.418 14.341 ( 6.386 -1.890 -5.217) 8.460 14.487 ( -1.614 -0.550 -3.443) 3.842 14.547 ( 6.378 -5.141 -4.184) 9.198 15.590 ( 6.807 1.460 -2.613) 7.436 15.789 ( -9.680 1.522 0.438) 9.809 20.240 ( -9.798 -0.639 14.970) 17.903 21.277 ( 3.782 4.849 -0.922) 6.218 21.367 ( 4.606 -3.036 -1.541) 5.727 22.077 ( -1.366 1.911 -5.171) 5.679 22.543 ( -0.139 6.755 0.571) 6.781 22.818 ( 13.361 -1.842 -13.978) 19.424 24.117 ( -1.197 -1.869 1.250) 2.547 24.731 ( -1.341 -0.055 -1.552) 2.052 25.183 ( 0.816 -0.380 3.682) 3.790 25.371 ( -5.143 -1.429 5.179) 7.438 ======================= Grid point 255 (123/227) ======================= q-point: (-0.40 0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -1.542 0.833 11.424) 11.557 2.060 ( 4.685 0.126 11.602) 12.513 2.902 ( 2.175 10.372 14.247) 17.757 3.210 ( -6.428 10.926 17.551) 21.650 3.652 ( 0.605 -7.113 3.028) 7.754 3.935 ( 4.111 3.257 -0.282) 5.253 4.273 ( 5.054 12.337 5.129) 14.284 4.470 ( -18.086 -1.382 -8.519) 20.040 4.734 ( 2.373 -6.820 2.640) 7.689 5.088 ( -3.920 10.195 -8.257) 13.693 5.289 ( -13.708 3.281 -1.307) 14.155 5.534 ( 3.749 10.615 -13.012) 17.206 5.741 ( 3.048 12.820 -7.493) 15.159 5.853 ( -2.757 3.560 -6.025) 7.522 6.177 ( 13.618 1.414 6.073) 14.977 6.509 ( 1.969 1.014 6.034) 6.427 6.864 ( -7.920 4.089 2.289) 9.203 6.904 ( 4.452 -0.391 1.720) 4.789 6.969 ( 8.493 -7.611 -0.041) 11.405 7.336 ( 3.352 -6.616 2.280) 7.760 7.561 ( -5.888 -10.503 6.572) 13.718 7.943 ( 1.926 -13.498 0.148) 13.635 8.066 ( -2.513 -1.725 0.732) 3.134 8.236 ( -9.295 3.419 0.031) 9.903 8.436 ( -6.403 -6.660 1.163) 9.312 9.548 ( 7.054 2.458 7.697) 10.726 10.038 ( 0.419 5.082 0.882) 5.175 10.500 ( 3.136 6.579 -15.485) 17.115 12.035 ( 2.472 -7.088 8.028) 10.991 12.221 ( 6.593 -2.405 -0.046) 7.018 12.501 ( -0.345 -1.001 1.574) 1.897 12.690 ( -6.833 0.297 -6.530) 9.456 14.075 ( -4.872 8.402 1.144) 9.779 14.393 ( 0.370 -4.586 -4.671) 6.557 14.447 ( -1.552 -1.735 -3.907) 4.548 14.672 ( 9.304 -0.724 -5.345) 10.754 15.586 ( -12.187 4.678 -1.362) 13.125 15.694 ( 10.182 1.290 -0.518) 10.276 20.228 ( -7.678 -1.780 15.269) 17.184 21.277 ( 4.393 6.094 1.172) 7.603 21.451 ( 3.881 -1.060 -0.691) 4.082 21.949 ( -2.707 5.810 -8.793) 10.881 22.479 ( 1.275 7.375 2.324) 7.836 22.904 ( 8.167 -1.500 -13.651) 15.979 24.200 ( 4.872 -3.968 4.346) 7.640 24.617 ( -9.695 -1.339 -5.685) 11.319 25.274 ( 2.145 -1.371 5.002) 5.613 25.332 ( -3.721 -0.432 4.460) 5.824 ======================= Grid point 256 (124/227) ======================= q-point: (-0.30 0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -5.873 2.000 10.956) 12.591 2.245 ( 5.356 -1.705 7.562) 9.422 2.853 ( -5.023 13.062 21.241) 25.437 3.204 ( 0.994 11.539 18.616) 21.925 3.793 ( -7.671 9.609 -5.502) 13.470 3.838 ( 5.332 -10.418 7.769) 14.047 4.171 ( -10.823 3.015 -13.899) 17.872 4.299 ( 6.126 10.395 6.204) 13.567 4.703 ( -10.343 17.279 -10.740) 22.823 4.785 ( -3.158 3.998 6.648) 8.376 5.068 ( -1.374 4.574 -5.363) 7.181 5.484 ( 2.300 -0.180 -0.046) 2.308 5.630 ( 8.217 9.341 -6.852) 14.203 5.816 ( 2.866 -0.465 -9.555) 9.986 6.416 ( 11.217 -0.444 7.276) 13.377 6.456 ( -6.418 4.254 -3.525) 8.468 6.711 ( -5.457 5.447 4.036) 8.703 7.043 ( 2.583 -7.864 2.899) 8.771 7.112 ( 0.277 -1.758 5.650) 5.924 7.517 ( 2.172 -13.156 1.350) 13.402 7.578 ( -8.985 -7.484 2.990) 12.070 7.874 ( -9.873 5.140 -5.102) 12.245 8.100 ( 0.090 -10.027 -1.165) 10.095 8.213 ( 0.910 -4.209 3.834) 5.765 8.563 ( 2.778 -10.162 8.893) 13.787 9.621 ( 4.581 4.803 1.368) 6.777 9.981 ( 0.364 6.982 1.276) 7.107 10.346 ( -0.537 4.947 -14.928) 15.735 12.118 ( -8.368 -3.369 6.681) 11.225 12.231 ( -8.641 -3.043 -2.106) 9.400 12.597 ( 7.246 -3.719 -3.070) 8.704 12.696 ( 14.202 -1.958 0.829) 14.361 13.914 ( -5.963 7.693 1.979) 9.932 14.378 ( -1.545 -1.328 -5.269) 5.649 14.448 ( -1.204 -6.121 -4.073) 7.451 14.759 ( 8.751 2.719 -4.397) 10.164 15.312 ( -13.190 7.779 -1.825) 15.422 15.847 ( 12.100 0.940 -0.858) 12.167 20.259 ( -6.261 -3.274 15.168) 16.733 21.284 ( 4.654 6.975 2.237) 8.678 21.454 ( -1.694 4.233 -1.546) 4.814 21.811 ( 2.971 5.146 -7.781) 9.791 22.450 ( 2.568 6.346 2.930) 7.447 22.906 ( 4.025 -0.511 -14.471) 15.029 24.289 ( -8.850 -1.459 -0.960) 9.021 24.524 ( 2.771 -6.930 0.701) 7.497 25.222 ( -7.436 1.823 4.421) 8.841 25.434 ( 5.361 -2.876 3.414) 6.976 ======================= Grid point 257 (125/227) ======================= q-point: (-0.20 0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -5.662 1.000 12.868) 14.094 2.343 ( 0.028 -1.988 3.657) 4.163 2.814 ( -3.513 8.944 22.303) 24.285 3.087 ( -10.139 18.725 10.231) 23.624 3.462 ( -15.820 6.026 -7.691) 18.594 3.821 ( -6.036 13.387 -8.923) 17.183 4.199 ( 9.326 -12.602 4.484) 16.306 4.270 ( -2.131 8.747 4.534) 10.080 4.355 ( 5.646 17.605 1.828) 18.578 4.857 ( 11.121 2.304 6.289) 12.982 5.089 ( 3.693 -4.807 -2.246) 6.465 5.491 ( 1.923 1.024 -2.730) 3.493 5.643 ( 9.339 10.674 -3.254) 14.551 5.827 ( 3.836 -5.498 -9.378) 11.528 6.231 ( -10.094 5.459 -7.389) 13.649 6.496 ( -7.742 2.676 -0.081) 8.191 6.660 ( -2.124 -1.075 9.412) 9.708 7.063 ( 0.710 6.939 3.787) 7.936 7.208 ( -2.776 -11.184 1.220) 11.588 7.551 ( -4.691 -2.749 5.380) 7.649 7.596 ( -6.953 -8.821 -7.141) 13.310 7.764 ( -3.561 -1.869 8.154) 9.092 8.204 ( 2.225 -8.522 -2.400) 9.129 8.301 ( -0.572 -2.768 6.061) 6.688 8.797 ( 5.599 -8.916 6.924) 12.601 9.632 ( 5.647 4.239 -2.464) 7.478 9.911 ( -0.132 6.278 -0.733) 6.322 10.178 ( -2.991 2.604 -13.812) 14.370 11.963 ( -14.279 0.887 0.080) 14.307 12.105 ( -9.932 -3.381 -1.567) 10.608 12.821 ( 12.357 -8.901 0.787) 15.249 12.972 ( 16.414 -1.048 2.003) 16.569 13.754 ( -6.865 6.834 2.522) 10.010 14.323 ( -0.626 1.728 -5.550) 5.846 14.471 ( -1.244 -6.223 -4.502) 7.781 14.825 ( 8.247 2.739 -3.126) 9.235 15.025 ( -11.818 7.981 0.807) 14.283 16.000 ( 11.736 1.714 -2.616) 12.145 20.317 ( -5.987 -4.577 14.709) 16.527 21.253 ( -1.498 9.312 1.291) 9.520 21.340 ( 1.420 5.338 -2.528) 6.075 21.827 ( 8.291 1.846 -4.521) 9.622 22.451 ( 3.573 5.715 3.650) 7.665 22.849 ( 2.887 0.739 -15.775) 16.053 24.044 ( -17.687 -0.295 -4.484) 18.249 24.754 ( 8.099 -9.027 4.704) 13.008 25.116 ( -7.001 2.742 3.650) 8.357 25.561 ( 4.091 -3.203 2.805) 5.904 ======================= Grid point 258 (126/227) ======================= q-point: (-0.10 0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -3.938 -1.929 13.614) 14.302 2.359 ( -1.206 -0.030 2.680) 2.939 2.663 ( -17.802 16.847 2.255) 24.613 2.863 ( 0.733 6.985 17.864) 19.195 3.145 ( -12.434 5.670 -1.321) 13.729 3.601 ( 1.960 10.172 -11.234) 15.282 4.079 ( -6.449 -1.976 -1.696) 6.955 4.388 ( 5.347 2.866 3.583) 7.045 4.584 ( 13.295 -2.196 10.472) 17.066 5.071 ( 15.337 3.326 3.351) 16.047 5.221 ( 5.527 -5.318 1.769) 7.871 5.516 ( 2.972 -0.665 -4.875) 5.748 5.632 ( 13.229 11.811 1.249) 17.778 5.840 ( -4.883 1.511 -5.645) 7.615 6.013 ( -4.340 -1.096 -5.663) 7.218 6.231 ( -18.410 2.316 0.844) 18.574 6.723 ( -1.619 -4.136 5.504) 7.073 7.025 ( 1.424 8.281 3.729) 9.193 7.246 ( -3.897 -5.998 -5.563) 9.061 7.516 ( -7.922 -0.607 7.828) 11.154 7.575 ( -1.257 -6.016 -5.415) 8.191 7.813 ( -5.017 -5.147 11.271) 13.368 8.259 ( 0.412 4.023 -3.413) 5.292 8.348 ( -1.715 -4.884 5.258) 7.378 8.987 ( 2.303 -5.218 5.635) 8.018 9.683 ( 8.024 0.396 -5.125) 9.529 9.837 ( 0.091 2.199 -4.323) 4.851 10.015 ( -4.404 0.496 -11.974) 12.767 11.769 ( -9.607 0.316 0.715) 9.639 11.995 ( -8.383 -3.643 -1.517) 9.266 13.121 ( 11.396 -10.016 2.093) 15.315 13.188 ( 11.360 1.938 0.387) 11.530 13.592 ( -7.564 5.930 2.647) 9.969 14.233 ( 1.007 7.329 -7.296) 10.391 14.488 ( -0.605 -4.349 -3.222) 5.446 14.809 ( -4.413 5.173 -0.597) 6.826 14.936 ( 4.421 -2.852 3.583) 6.365 16.106 ( 9.614 3.661 -4.357) 11.172 20.381 ( -6.363 -4.997 14.502) 16.607 21.120 ( -1.937 5.924 -0.529) 6.255 21.327 ( 4.124 5.047 -1.411) 6.669 21.903 ( 7.281 1.550 -4.287) 8.590 22.480 ( 3.933 4.129 4.705) 7.393 22.769 ( 3.849 1.682 -17.425) 17.924 23.780 ( -14.481 -1.455 -1.725) 14.655 24.967 ( 4.730 -4.872 -0.804) 6.838 25.009 ( -6.751 0.272 5.956) 9.007 25.657 ( 1.891 -1.994 3.231) 4.242 ======================= Grid point 264 (127/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 6.905 0.000 13.502) 15.165 2.058 ( -3.811 -0.000 8.643) 9.446 3.039 ( 10.302 -0.000 14.249) 17.583 3.411 ( -1.259 -0.000 -9.603) 9.685 3.464 ( -16.884 -0.000 24.284) 29.576 3.960 ( 7.483 -0.000 0.634) 7.509 4.459 ( -19.656 -0.000 -7.146) 20.914 4.508 ( 1.869 0.000 9.731) 9.909 4.569 ( 4.843 -0.000 1.751) 5.150 5.145 ( 1.559 -0.000 0.191) 1.571 5.365 ( -17.096 -0.000 -10.519) 20.073 5.623 ( 8.379 -0.000 -13.767) 16.117 5.884 ( 1.391 0.000 -8.065) 8.184 6.072 ( 3.216 0.000 -12.266) 12.680 6.201 ( 16.935 -0.000 5.035) 17.668 6.409 ( -13.762 -0.000 5.869) 14.961 6.803 ( 10.741 -0.000 5.853) 12.232 6.843 ( -6.592 -0.000 0.037) 6.592 7.147 ( 5.396 0.000 -0.143) 5.398 7.238 ( -3.578 -0.000 2.725) 4.498 7.426 ( 4.856 -0.000 8.055) 9.406 7.722 ( 0.928 -0.000 -0.590) 1.099 8.029 ( -0.595 -0.000 3.344) 3.396 8.320 ( -7.892 0.000 16.949) 18.696 8.324 ( -13.289 -0.000 -16.368) 21.084 9.577 ( 7.815 -0.000 8.543) 11.578 10.095 ( 0.673 -0.000 1.446) 1.595 10.585 ( 1.923 -0.000 -16.314) 16.427 11.947 ( 4.036 -0.000 9.297) 10.135 12.191 ( 5.116 -0.000 -0.409) 5.132 12.490 ( 1.029 -0.000 1.537) 1.849 12.695 ( -7.634 -0.000 -7.000) 10.357 14.202 ( -6.930 -0.000 0.052) 6.930 14.306 ( -0.366 -0.000 -4.468) 4.483 14.429 ( -1.842 -0.000 -4.075) 4.472 14.664 ( 12.819 -0.000 -4.270) 13.512 15.643 ( -10.913 -0.000 -1.655) 11.037 15.703 ( 8.638 -0.000 0.196) 8.641 20.208 ( -7.802 -0.000 14.766) 16.701 21.381 ( 6.250 0.000 -4.834) 7.901 21.405 ( 3.561 -0.000 5.366) 6.440 22.013 ( -2.949 -0.000 -7.363) 7.931 22.571 ( -0.652 -0.000 -0.120) 0.663 22.885 ( 9.372 -0.000 -14.084) 16.918 24.153 ( 4.554 -0.000 5.160) 6.882 24.601 ( -10.612 -0.000 -5.917) 12.150 25.259 ( 4.517 -0.000 5.394) 7.035 25.326 ( -5.255 -0.000 4.491) 6.913 ======================= Grid point 266 (128/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -3.346 1.029 7.663) 8.425 2.215 ( 3.453 -0.767 8.849) 9.530 3.160 ( -5.680 14.256 12.511) 19.800 3.369 ( 1.596 3.516 15.303) 15.782 3.510 ( -1.398 -15.763 10.996) 19.271 3.987 ( -8.880 7.213 -6.912) 13.366 4.117 ( -6.040 -4.663 -10.681) 13.127 4.528 ( 3.360 8.344 6.931) 11.356 4.761 ( 8.419 -3.911 7.079) 11.674 5.015 ( -12.375 7.470 -10.752) 18.015 5.190 ( -1.786 1.474 5.015) 5.524 5.569 ( -5.022 5.218 -10.849) 13.045 5.774 ( -0.460 1.828 -4.914) 5.263 5.916 ( 4.858 12.252 -11.449) 17.458 6.366 ( 0.787 -5.773 -0.036) 5.827 6.529 ( 9.735 -0.324 0.673) 9.763 6.690 ( -10.238 -5.001 1.963) 11.562 6.972 ( 1.955 -3.016 6.313) 7.264 7.080 ( -0.441 6.988 2.756) 7.525 7.306 ( -3.396 -10.072 -0.500) 10.641 7.532 ( 4.874 7.601 6.316) 11.019 7.837 ( 1.954 -11.172 0.212) 11.343 8.013 ( -2.217 3.872 -7.094) 8.380 8.104 ( -1.460 -4.484 -4.507) 6.523 8.365 ( -6.068 -5.685 20.273) 21.912 9.701 ( 5.267 1.958 2.239) 6.049 10.096 ( -0.020 2.864 2.232) 3.631 10.450 ( -1.978 3.081 -15.502) 15.929 12.054 ( -2.751 -1.670 8.797) 9.367 12.177 ( -6.019 -1.672 -2.003) 6.560 12.554 ( -0.417 -0.526 -8.281) 8.308 12.657 ( 15.002 -1.157 3.659) 15.485 14.053 ( -8.213 4.207 -0.434) 9.238 14.297 ( -1.090 -3.985 -3.351) 5.319 14.382 ( -0.998 -0.685 -4.327) 4.493 14.805 ( 9.831 1.136 -2.808) 10.287 15.442 ( -10.719 3.337 -4.366) 12.045 15.846 ( 9.349 -0.420 1.530) 9.482 20.210 ( -6.313 -1.103 14.126) 15.512 21.414 ( 5.322 3.881 -1.447) 6.744 21.503 ( 3.031 0.356 3.690) 4.789 21.896 ( -2.598 2.136 -8.695) 9.323 22.546 ( -0.389 2.177 -0.086) 2.213 22.895 ( 5.131 -0.337 -14.308) 15.204 24.288 ( 2.697 1.012 4.546) 5.382 24.401 ( -7.788 -3.699 -3.312) 9.235 25.262 ( -5.725 1.515 3.841) 7.058 25.372 ( 4.035 -2.143 4.132) 6.160 ======================= Grid point 267 (129/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -3.841 2.182 7.391) 8.611 2.299 ( -0.173 -1.612 5.412) 5.650 3.009 ( -9.124 8.345 17.549) 21.468 3.321 ( -11.560 2.390 7.329) 13.894 3.569 ( -19.910 2.548 -8.580) 21.829 3.826 ( 2.959 -8.463 0.951) 9.015 4.170 ( 12.993 6.138 0.433) 14.376 4.470 ( -2.384 10.096 3.651) 10.997 4.685 ( -10.217 10.198 -3.294) 14.806 4.997 ( 16.132 5.343 9.367) 19.404 5.061 ( -4.590 5.124 -0.596) 6.905 5.464 ( -2.160 -4.795 1.304) 5.418 5.766 ( 2.818 3.638 -9.854) 10.876 5.838 ( 8.665 5.002 -5.457) 11.397 6.296 ( -9.542 0.342 -9.574) 13.522 6.515 ( -5.647 -1.826 0.086) 5.936 6.714 ( -2.730 1.011 0.989) 3.075 6.999 ( -7.885 -3.176 3.886) 9.346 7.114 ( 5.529 -4.285 3.321) 7.744 7.344 ( -1.906 -8.902 -3.790) 9.862 7.537 ( 0.868 4.939 5.208) 7.229 7.844 ( -2.232 4.420 4.044) 6.393 8.042 ( 6.456 -4.728 -2.298) 8.325 8.171 ( -3.146 -7.631 8.599) 11.919 8.567 ( 3.715 -11.133 11.873) 16.695 9.726 ( 3.970 3.491 -4.734) 7.096 10.055 ( -0.871 5.761 0.607) 5.858 10.269 ( -3.310 4.316 -12.645) 13.765 11.971 ( -12.577 -0.006 0.913) 12.610 12.057 ( -8.204 -1.097 -3.030) 8.814 12.641 ( 9.783 -6.501 -1.599) 11.855 12.947 ( 16.988 -0.982 4.335) 17.560 13.878 ( -8.753 4.116 0.025) 9.673 14.305 ( -0.908 -3.446 -2.695) 4.468 14.360 ( -0.015 -2.050 -3.586) 4.130 14.889 ( 5.723 2.350 0.039) 6.187 15.202 ( -8.549 6.739 -6.611) 12.736 16.001 ( 9.026 -1.050 0.691) 9.113 20.237 ( -5.661 -2.485 13.255) 14.626 21.435 ( 4.525 4.071 -1.130) 6.191 21.476 ( -2.838 8.436 1.278) 8.992 21.835 ( 3.484 -1.146 -6.263) 7.258 22.516 ( -1.126 0.820 -0.536) 1.492 22.856 ( 3.026 0.089 -14.321) 14.637 24.099 ( -12.606 4.174 -3.031) 13.621 24.569 ( 8.017 -7.054 6.289) 12.393 25.176 ( -5.905 2.471 2.944) 7.046 25.482 ( 3.113 -3.510 3.054) 5.598 ======================= Grid point 268 (130/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -3.289 1.068 9.133) 9.766 2.330 ( -2.194 -1.811 3.850) 4.787 2.933 ( -11.176 6.382 16.678) 21.066 3.056 ( -13.549 7.892 -2.608) 15.896 3.238 ( -18.643 1.376 2.693) 18.887 3.786 ( -3.944 2.150 -11.664) 12.499 4.091 ( -4.900 10.119 -4.906) 12.267 4.444 ( -4.848 4.009 1.750) 6.530 4.606 ( 12.855 3.229 11.364) 17.459 5.050 ( 3.843 -3.512 -0.009) 5.206 5.274 ( 18.320 6.384 10.800) 22.204 5.545 ( 5.538 -1.278 2.512) 6.214 5.670 ( 0.058 0.764 -8.940) 8.973 5.907 ( 4.841 0.795 -1.102) 5.028 6.046 ( -11.847 2.386 -9.746) 15.525 6.308 ( -18.070 2.934 -3.328) 18.607 6.664 ( -0.818 -1.307 -0.373) 1.587 7.021 ( -4.798 -11.239 4.054) 12.875 7.200 ( 3.004 2.435 -1.244) 4.062 7.385 ( 0.939 -2.472 -6.461) 6.981 7.562 ( 1.430 0.705 5.880) 6.092 7.800 ( -5.211 4.458 15.136) 16.617 8.193 ( 5.828 -4.457 2.491) 7.748 8.278 ( -1.028 -5.894 6.931) 9.157 8.821 ( 4.671 -9.587 7.235) 12.887 9.698 ( 4.070 1.245 -11.673) 12.425 9.942 ( -2.653 6.665 -4.630) 8.537 10.094 ( -3.250 5.120 -7.955) 10.003 11.781 ( -10.668 0.474 -0.308) 10.683 11.941 ( -6.609 -1.320 -2.629) 7.234 12.891 ( 10.427 -9.777 1.212) 14.346 13.209 ( 13.573 0.109 2.813) 13.862 13.703 ( -9.202 3.737 0.398) 9.940 14.303 ( 0.363 -0.428 -2.942) 2.995 14.381 ( 0.511 -4.126 -2.029) 4.626 14.926 ( -3.990 1.337 7.560) 8.652 14.976 ( 1.568 8.359 -11.061) 13.953 16.134 ( 7.610 -0.706 -1.433) 7.776 20.278 ( -5.582 -3.819 12.681) 14.372 21.300 ( -4.837 9.252 -1.370) 10.530 21.447 ( 4.301 5.499 0.208) 6.985 21.901 ( 6.185 -2.091 -4.616) 7.996 22.479 ( -4.477 -2.954 -2.477) 5.908 22.793 ( 2.713 0.655 -14.606) 14.871 23.863 ( -8.344 7.357 1.172) 11.186 24.799 ( 5.900 -7.585 5.064) 10.862 25.073 ( -5.821 3.189 1.380) 6.779 25.585 ( 2.158 -4.163 3.024) 5.580 ======================= Grid point 269 (131/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -1.603 -0.672 11.028) 11.164 2.321 ( -5.859 -1.319 2.562) 6.529 2.582 ( -11.684 12.059 -5.580) 17.694 2.993 ( -12.759 -0.648 -0.704) 12.794 3.002 ( -8.811 1.701 25.564) 27.094 3.601 ( -2.750 3.649 -14.213) 14.930 3.922 ( -4.674 -0.262 -6.273) 7.827 4.370 ( -5.459 -1.280 1.751) 5.874 4.809 ( 8.160 0.232 6.351) 10.343 5.161 ( 3.062 -6.484 -3.037) 7.788 5.440 ( 2.874 8.483 -4.358) 9.961 5.595 ( 13.105 6.335 5.525) 15.569 5.736 ( -12.950 -6.843 -4.535) 15.333 5.815 ( 1.907 3.143 0.061) 3.677 5.968 ( 2.322 2.529 4.979) 6.048 6.045 ( -4.600 -3.936 3.574) 7.030 6.723 ( 6.722 -0.728 -2.708) 7.283 7.093 ( -4.924 -7.219 5.623) 10.391 7.158 ( -0.144 5.972 -2.467) 6.463 7.358 ( -1.719 -3.238 -5.019) 6.216 7.546 ( -4.974 3.832 2.878) 6.907 7.833 ( -1.862 1.031 16.057) 16.197 8.317 ( 0.085 4.329 1.072) 4.461 8.326 ( 2.266 -3.927 4.741) 6.560 8.992 ( 0.976 -5.046 4.972) 7.150 9.652 ( -0.290 -3.223 -15.695) 16.026 9.806 ( -1.198 1.396 -9.281) 9.461 9.972 ( 1.474 5.317 -3.735) 6.663 11.672 ( -4.908 -0.596 1.811) 5.265 11.867 ( -2.804 -1.354 -1.494) 3.454 13.159 ( 8.190 -10.790 1.191) 13.598 13.365 ( 7.884 3.032 0.910) 8.496 13.529 ( -9.457 3.159 1.346) 10.062 14.275 ( 1.695 3.718 -5.723) 7.032 14.432 ( 1.315 -3.938 -0.413) 4.173 14.798 ( -3.716 4.232 0.434) 5.649 14.998 ( 3.704 -0.624 1.570) 4.072 16.212 ( 5.122 0.846 -3.754) 6.406 20.331 ( -5.620 -4.705 12.918) 14.852 21.147 ( -2.749 5.682 -0.657) 6.346 21.442 ( 3.523 6.066 0.257) 7.020 21.965 ( 4.381 0.125 -5.186) 6.790 22.410 ( -9.230 -8.417 -5.825) 13.783 22.727 ( 3.712 0.964 -15.236) 15.711 23.747 ( 1.585 8.263 7.654) 11.374 24.938 ( -3.365 1.576 -5.436) 6.585 24.977 ( -0.585 -4.449 7.374) 8.632 25.676 ( 1.179 -3.054 3.851) 5.054 ======================= Grid point 276 (132/227) ======================= q-point: (-0.40 -0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -2.550 0.000 4.805) 5.440 2.279 ( -0.728 0.000 6.808) 6.846 3.144 ( -7.511 0.000 -7.543) 10.645 3.277 ( -20.787 0.000 30.484) 36.896 3.625 ( -20.914 0.000 -14.922) 25.692 3.706 ( 9.415 -0.000 5.394) 10.850 4.240 ( 18.194 -0.000 4.670) 18.784 4.605 ( -0.671 0.000 2.924) 3.000 4.801 ( -12.697 0.000 -6.562) 14.292 5.008 ( 12.888 -0.000 10.801) 16.816 5.268 ( 1.519 -0.000 7.634) 7.784 5.320 ( -15.493 0.000 -6.544) 16.819 5.813 ( 5.962 -0.000 -4.810) 7.660 5.976 ( 2.741 -0.000 -11.025) 11.361 6.244 ( -0.957 0.000 -11.374) 11.415 6.453 ( -13.879 0.000 2.280) 14.064 6.685 ( -5.385 0.000 -1.043) 5.486 7.031 ( 6.316 -0.000 4.873) 7.977 7.070 ( -10.628 0.000 -2.669) 10.959 7.182 ( 4.786 -0.000 2.906) 5.599 7.754 ( 1.535 -0.000 -2.652) 3.064 7.778 ( 6.438 -0.000 8.009) 10.276 8.043 ( 8.367 -0.000 -4.527) 9.513 8.052 ( -2.284 0.000 3.236) 3.961 8.400 ( -3.660 0.000 23.082) 23.370 9.767 ( 3.182 -0.000 -5.056) 5.974 10.127 ( -0.389 0.000 1.797) 1.838 10.324 ( -3.560 0.000 -12.641) 13.133 11.972 ( -11.741 0.000 1.255) 11.808 12.044 ( -7.319 0.000 -3.579) 8.147 12.563 ( 8.380 -0.000 -2.825) 8.844 12.935 ( 17.103 -0.000 5.208) 17.878 13.928 ( -9.892 0.000 -1.832) 10.060 14.250 ( -0.713 0.000 -0.780) 1.057 14.346 ( 0.422 -0.000 -3.759) 3.782 14.917 ( 4.593 -0.000 1.274) 4.766 15.285 ( -6.340 0.000 -9.749) 11.629 15.983 ( 7.518 -0.000 2.680) 7.981 20.209 ( -5.601 0.000 12.765) 13.940 21.478 ( 3.286 -0.000 -3.239) 4.614 21.601 ( 3.073 -0.000 6.474) 7.166 21.802 ( -2.391 0.000 -9.044) 9.354 22.520 ( -3.348 0.000 -2.570) 4.220 22.857 ( 3.268 -0.000 -14.002) 14.378 24.165 ( -10.509 0.000 -3.209) 10.988 24.476 ( 8.467 -0.000 7.634) 11.400 25.210 ( -5.499 0.000 2.817) 6.179 25.433 ( 2.471 -0.000 3.190) 4.035 ======================= Grid point 277 (133/227) ======================= q-point: (-0.30 -0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -3.187 0.787 2.939) 4.406 2.300 ( -2.846 -0.658 6.152) 6.810 2.982 ( -8.856 -0.857 -0.756) 8.930 3.166 ( -19.701 2.297 19.531) 27.837 3.246 ( -17.822 0.874 -5.297) 18.613 3.739 ( -2.677 -2.707 -10.876) 11.523 4.459 ( 1.275 16.001 0.149) 16.052 4.559 ( -9.754 4.329 1.651) 10.799 4.655 ( 9.421 -0.666 5.540) 10.950 4.978 ( -8.840 -2.978 4.068) 10.177 5.352 ( 7.120 -0.768 9.319) 11.753 5.434 ( 13.345 -2.517 5.493) 14.649 5.806 ( 1.843 3.459 -9.837) 10.589 5.902 ( -1.314 3.782 -4.522) 6.040 6.115 ( -5.710 2.707 -8.236) 10.381 6.299 ( -15.314 -0.926 -2.867) 15.607 6.510 ( -10.444 -12.897 -5.206) 17.393 6.889 ( -6.234 1.157 -2.892) 6.968 7.157 ( 6.582 -2.749 -2.332) 7.504 7.390 ( 9.983 -0.546 5.733) 11.525 7.695 ( 3.574 9.114 -0.995) 9.840 7.916 ( 0.367 3.940 11.143) 11.824 8.091 ( -3.989 -8.893 13.614) 16.744 8.161 ( 9.820 1.979 1.372) 10.111 8.585 ( 2.733 -9.263 13.886) 16.914 9.729 ( 1.402 0.981 -13.297) 13.407 10.083 ( -2.505 4.287 -3.572) 6.117 10.187 ( -3.232 2.408 -7.946) 8.910 11.789 ( -10.850 0.213 -0.720) 10.876 11.922 ( -5.864 -0.559 -3.582) 6.894 12.725 ( 9.846 -4.197 0.747) 10.729 13.204 ( 14.111 -0.242 4.170) 14.716 13.758 ( -10.026 1.177 -2.090) 10.309 14.250 ( -1.330 -2.258 0.666) 2.704 14.344 ( 1.913 -0.301 -2.369) 3.060 14.951 ( -3.668 0.677 7.378) 8.267 15.133 ( 1.712 4.306 -15.520) 16.197 16.104 ( 5.602 -1.239 1.848) 6.028 20.219 ( -5.356 -1.350 11.729) 12.965 21.463 ( -1.377 3.529 -3.030) 4.851 21.596 ( 1.442 8.564 1.476) 8.809 21.797 ( 2.448 -7.040 -4.005) 8.461 22.414 ( -8.645 -1.840 -5.501) 10.411 22.803 ( 2.394 0.219 -13.204) 13.421 24.022 ( -3.936 4.943 1.460) 6.485 24.661 ( 6.526 -3.905 6.160) 9.787 25.138 ( -4.921 2.107 1.821) 5.654 25.495 ( 1.202 -2.966 2.462) 4.037 ======================= Grid point 278 (134/227) ======================= q-point: (-0.20 -0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -2.858 -2.287 4.430) 5.747 2.291 ( -5.608 -0.578 6.194) 8.376 2.834 ( -11.826 6.981 -9.121) 16.486 2.900 ( -11.663 -2.784 -1.205) 12.052 3.056 ( -20.044 1.909 28.017) 34.502 3.577 ( -9.689 -3.915 -17.235) 20.156 4.151 ( -8.683 16.957 -0.966) 19.075 4.411 ( -4.815 4.436 2.950) 7.181 4.799 ( 0.673 -2.455 2.253) 3.399 5.014 ( -2.046 -5.985 1.336) 6.465 5.527 ( 0.721 -8.455 2.894) 8.965 5.655 ( 3.610 2.903 2.482) 5.255 5.712 ( 3.511 10.238 -8.896) 14.010 5.837 ( 8.527 -1.582 -0.429) 8.684 5.930 ( -8.840 1.117 1.798) 9.090 6.077 ( -8.430 0.907 1.745) 8.657 6.620 ( 4.415 -13.956 -3.779) 15.118 6.849 ( -0.662 -4.898 -2.527) 5.551 7.249 ( 4.812 0.805 -1.508) 5.107 7.435 ( 1.001 5.701 -2.275) 6.219 7.659 ( 0.727 6.208 0.572) 6.276 7.909 ( -6.333 4.953 21.214) 22.687 8.255 ( 5.735 -1.746 5.161) 7.911 8.326 ( 6.842 -1.964 8.988) 11.465 8.818 ( 2.554 -9.742 8.439) 13.140 9.619 ( -0.194 0.052 -18.625) 18.626 9.901 ( -5.470 6.070 -12.148) 14.640 10.079 ( -1.014 3.241 -4.417) 5.571 11.672 ( -5.091 0.620 2.480) 5.697 11.850 ( -1.854 -0.828 -1.526) 2.540 12.934 ( 7.957 -8.090 0.933) 11.386 13.402 ( 9.391 0.475 2.283) 9.676 13.581 ( -10.095 1.348 -1.763) 10.336 14.262 ( -1.643 -3.197 0.026) 3.595 14.378 ( 3.257 -0.753 -0.546) 3.388 14.890 ( -6.057 2.763 3.267) 7.416 15.052 ( 4.992 4.431 -8.382) 10.714 16.195 ( 3.614 -1.713 -0.635) 4.050 20.244 ( -5.206 -2.846 11.488) 12.930 21.315 ( -4.712 8.329 -2.160) 9.811 21.571 ( 3.561 5.345 0.791) 6.471 21.901 ( 3.997 -6.447 -3.649) 8.418 22.233 ( -14.625 -5.457 -7.978) 17.531 22.744 ( 2.350 0.555 -12.458) 12.690 23.965 ( 3.514 9.284 6.351) 11.784 24.824 ( 3.663 -5.623 2.599) 7.197 25.038 ( -5.177 4.161 0.986) 6.715 25.575 ( 0.962 -5.333 2.772) 6.086 ======================= Grid point 279 (135/227) ======================= q-point: (-0.10 -0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -3.275 -6.496 5.159) 8.918 2.205 ( -11.388 2.267 8.029) 14.117 2.526 ( -5.129 8.068 -8.333) 12.682 2.754 ( -13.268 -3.699 0.155) 13.774 3.009 ( -14.162 -3.440 29.117) 32.560 3.360 ( -10.260 -7.867 -18.336) 22.435 3.881 ( -6.281 9.803 -1.594) 11.751 4.316 ( -5.397 3.234 2.226) 6.674 4.804 ( -9.441 -10.423 1.799) 14.177 5.016 ( -7.841 -8.739 -4.680) 12.639 5.455 ( -0.641 5.543 -1.715) 5.837 5.563 ( 2.119 7.791 -8.320) 11.593 5.775 ( -4.440 -9.958 -0.921) 10.942 5.876 ( -1.281 1.491 2.563) 3.230 5.991 ( 13.418 4.906 10.088) 17.490 6.209 ( 14.585 -1.852 9.454) 17.480 6.806 ( -0.854 -13.208 -1.399) 13.309 6.907 ( 5.632 -1.382 -2.549) 6.335 7.181 ( -5.433 5.881 -4.269) 9.073 7.434 ( 8.559 2.882 0.020) 9.031 7.540 ( -7.365 8.935 5.230) 12.705 7.934 ( -4.095 0.759 16.722) 17.233 8.360 ( 5.312 2.496 -0.457) 5.887 8.425 ( 1.181 5.081 6.021) 7.966 8.969 ( -0.656 -5.603 5.406) 7.814 9.467 ( -4.624 -0.986 -17.621) 18.244 9.709 ( -2.181 -0.803 -11.677) 11.906 10.030 ( 3.574 1.771 -6.816) 7.897 11.643 ( -0.147 1.162 2.449) 2.715 11.874 ( 3.956 0.049 2.214) 4.534 13.144 ( 5.229 -10.254 0.068) 11.511 13.406 ( -10.021 1.162 -0.258) 10.091 13.495 ( 3.685 2.472 1.182) 4.592 14.266 ( 0.147 -1.792 -4.311) 4.671 14.445 ( 3.849 -1.211 0.828) 4.119 14.804 ( -1.427 3.124 0.286) 3.447 15.046 ( 1.558 0.921 0.378) 1.849 16.231 ( 1.047 -0.759 -3.772) 3.987 20.290 ( -4.948 -4.189 12.235) 13.846 21.157 ( -3.633 5.639 -0.878) 6.766 21.567 ( 2.797 6.400 2.192) 7.321 21.957 ( -3.882 0.042 -5.999) 7.146 22.051 ( -9.056 -13.649 -8.449) 18.430 22.696 ( 3.642 0.570 -11.798) 12.360 24.011 ( 9.447 9.351 9.851) 16.545 24.848 ( -4.234 1.666 -9.275) 10.330 24.977 ( -1.463 -1.979 7.776) 8.156 25.673 ( 0.946 -5.096 3.638) 6.332 ======================= Grid point 287 (136/227) ======================= q-point: (-0.30 -0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -6.034 0.000 -0.973) 6.112 2.292 ( -4.639 0.000 8.434) 9.626 2.806 ( -8.921 0.000 -4.397) 9.946 2.982 ( -10.093 0.000 -9.109) 13.595 3.074 ( -22.552 0.000 32.680) 39.706 3.517 ( -12.163 0.000 -17.765) 21.530 4.419 ( -12.581 0.000 3.960) 13.190 4.551 ( -11.037 0.000 0.147) 11.037 4.639 ( 0.225 -0.000 -1.695) 1.710 4.957 ( -4.581 0.000 3.939) 6.042 5.421 ( 3.741 -0.000 4.771) 6.063 5.631 ( -1.645 0.000 -2.987) 3.410 5.811 ( 14.796 -0.000 0.876) 14.822 5.897 ( -3.374 0.000 -1.776) 3.813 6.078 ( -0.155 0.000 4.080) 4.083 6.078 ( -11.840 0.000 -8.689) 14.686 6.267 ( 0.982 -0.000 -0.674) 1.191 6.837 ( 4.105 -0.000 -6.801) 7.944 7.247 ( 8.128 -0.000 -2.321) 8.453 7.498 ( -0.221 0.000 0.990) 1.014 7.751 ( 1.004 -0.000 -4.114) 4.235 7.986 ( -13.162 0.000 23.318) 26.776 8.227 ( 16.922 -0.000 12.258) 20.895 8.321 ( 7.346 -0.000 2.445) 7.742 8.662 ( 2.333 -0.000 13.999) 14.192 9.625 ( -0.320 0.000 -19.189) 19.192 9.995 ( -5.889 0.000 -12.837) 14.123 10.106 ( -3.135 0.000 -5.826) 6.616 11.686 ( -4.227 0.000 4.854) 6.437 11.832 ( -2.140 0.000 -3.003) 3.687 12.838 ( 7.651 -0.000 0.674) 7.681 13.404 ( 9.624 -0.000 2.635) 9.978 13.595 ( -10.075 0.000 -3.169) 10.562 14.217 ( -2.893 0.000 2.217) 3.645 14.372 ( 3.463 -0.000 -0.669) 3.527 14.918 ( -6.110 0.000 5.615) 8.298 15.117 ( 5.444 -0.000 -13.986) 15.008 16.169 ( 2.711 -0.000 1.415) 3.058 20.211 ( -5.204 0.000 10.983) 12.153 21.436 ( -2.726 0.000 -3.481) 4.422 21.710 ( -1.658 0.000 4.026) 4.354 21.715 ( 4.089 -0.000 -6.149) 7.385 22.181 ( -13.868 0.000 -7.590) 15.809 22.751 ( 1.821 -0.000 -11.342) 11.487 24.083 ( 4.217 -0.000 5.099) 6.617 24.752 ( 3.983 -0.000 3.341) 5.199 25.100 ( -3.760 0.000 1.690) 4.122 25.496 ( -0.198 0.000 1.761) 1.772 ======================= Grid point 288 (137/227) ======================= q-point: (-0.20 -0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -11.101 -6.623 -0.629) 12.942 2.266 ( -7.408 2.022 12.330) 14.526 2.669 ( -5.956 -0.556 -5.180) 7.913 2.771 ( -8.354 8.439 -3.555) 12.395 2.965 ( -21.285 -0.972 30.434) 37.151 3.171 ( -19.139 -7.460 -19.520) 28.337 4.148 ( -14.491 11.682 2.663) 18.803 4.449 ( -3.830 1.259 7.052) 8.123 4.554 ( -17.290 -4.183 -5.909) 18.745 4.822 ( -12.837 -8.709 -3.238) 15.846 5.512 ( 6.620 0.888 -0.339) 6.688 5.570 ( -5.344 -5.636 -5.815) 9.702 5.848 ( 2.935 14.790 -8.860) 17.488 5.889 ( 2.103 0.278 9.544) 9.777 6.055 ( 13.024 0.293 7.334) 14.950 6.200 ( 8.688 -1.254 4.255) 9.755 6.428 ( 3.246 -14.916 0.088) 15.265 6.921 ( 12.107 0.614 -4.013) 12.770 7.279 ( -4.671 2.260 -3.350) 6.177 7.464 ( 3.257 0.510 -3.077) 4.510 7.706 ( -1.025 3.404 -3.179) 4.769 7.950 ( -13.131 1.827 27.185) 30.246 8.393 ( 4.430 0.714 0.593) 4.526 8.552 ( 12.849 4.277 10.716) 17.269 8.819 ( 1.373 -5.752 10.558) 12.101 9.475 ( -0.761 0.784 -19.826) 19.856 9.742 ( -7.972 2.685 -20.573) 22.227 10.031 ( -1.784 -1.281 -6.499) 6.860 11.709 ( 2.336 4.039 7.888) 9.165 11.848 ( 3.956 -2.700 1.532) 5.029 12.957 ( 4.746 -4.901 -0.251) 6.827 13.422 ( -9.992 0.270 -3.050) 10.451 13.522 ( 4.719 0.173 0.873) 4.802 14.193 ( -3.656 -2.587 0.941) 4.577 14.433 ( 4.477 -0.176 0.697) 4.535 14.866 ( -2.475 1.637 0.763) 3.064 15.093 ( 2.636 1.982 -6.594) 7.373 16.202 ( 0.434 -1.148 -1.168) 1.694 20.220 ( -5.022 -1.710 11.212) 12.404 21.319 ( -4.203 7.144 -2.758) 8.736 21.661 ( -1.351 0.081 0.413) 1.415 21.787 ( -2.489 -6.996 -6.390) 9.796 21.951 ( -8.327 -0.311 -3.849) 9.179 22.704 ( 1.646 0.160 -8.785) 8.940 24.192 ( 8.495 5.230 7.041) 12.211 24.808 ( 0.840 -2.564 -4.235) 5.021 25.040 ( -3.440 4.448 4.336) 7.101 25.533 ( -0.263 -5.624 1.955) 5.960 ======================= Grid point 289 (138/227) ======================= q-point: (-0.10 -0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -17.739 -14.092 -0.455) 22.659 2.207 ( -9.924 3.308 17.617) 20.489 2.424 ( -15.929 6.312 -12.408) 21.155 2.593 ( -4.282 0.223 1.301) 4.481 2.923 ( -16.411 -7.981 24.816) 30.803 2.970 ( -8.891 -9.939 -6.573) 14.867 3.860 ( -11.843 6.091 3.012) 13.654 4.218 ( -14.124 2.239 -5.707) 15.397 4.504 ( -8.639 -9.452 9.400) 15.885 4.753 ( -8.963 -11.154 -1.688) 14.408 5.474 ( -7.383 -3.394 -8.481) 11.745 5.657 ( 14.407 3.402 2.166) 14.961 5.713 ( 4.646 9.439 -6.173) 12.197 6.022 ( 6.691 4.571 7.824) 11.264 6.281 ( 7.108 1.677 2.248) 7.641 6.380 ( 10.231 -8.658 7.960) 15.589 6.628 ( 4.711 -6.893 1.856) 8.552 7.011 ( -9.806 5.347 -4.021) 11.871 7.113 ( 7.998 0.348 -4.509) 9.188 7.535 ( 4.125 2.354 -3.075) 5.658 7.621 ( 0.696 2.986 1.380) 3.362 7.959 ( -8.193 -0.915 24.695) 26.035 8.442 ( 0.297 -1.537 2.086) 2.608 8.567 ( 1.544 14.883 -5.954) 16.104 8.939 ( -1.388 -3.878 6.344) 7.564 9.270 ( -7.317 3.354 -17.066) 18.869 9.585 ( 1.973 -5.828 -9.973) 11.719 10.000 ( 1.771 -3.203 -9.994) 10.643 11.760 ( 7.072 6.319 5.139) 10.786 11.997 ( 8.518 -0.011 5.342) 10.055 13.085 ( 1.731 -8.687 -1.545) 8.992 13.260 ( -9.500 -0.526 -0.168) 9.516 13.547 ( -0.712 1.466 0.315) 1.660 14.193 ( -0.326 -5.431 -3.881) 6.684 14.509 ( 4.475 -0.067 0.869) 4.559 14.825 ( 0.318 2.067 -0.663) 2.193 15.068 ( -0.301 1.230 -0.192) 1.281 16.180 ( -2.433 -0.878 -5.375) 5.965 20.260 ( -4.583 -3.648 12.441) 13.751 21.154 ( -4.795 6.072 -1.369) 7.857 21.608 ( -15.514 -9.575 -7.014) 19.534 21.698 ( 2.339 6.324 3.726) 7.704 21.948 ( 2.917 -4.140 -6.646) 8.356 22.691 ( 3.765 -0.338 -5.225) 6.449 24.314 ( 10.191 6.646 7.645) 14.369 24.725 ( -4.392 1.710 -13.538) 14.335 25.005 ( -2.035 1.724 8.708) 9.107 25.632 ( 0.236 -7.949 2.653) 8.384 ======================= Grid point 298 (139/227) ======================= q-point: (-0.20 -0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -21.112 0.000 0.025) 21.112 2.251 ( -12.293 0.000 19.385) 22.954 2.554 ( -31.992 0.000 -20.273) 37.875 2.598 ( -2.142 0.000 0.836) 2.300 2.788 ( 0.628 -0.000 -1.826) 1.931 2.854 ( -19.023 0.000 27.545) 33.475 3.938 ( -23.384 0.000 2.499) 23.518 4.244 ( -11.212 0.000 -5.365) 12.429 4.497 ( -5.671 0.000 5.301) 7.763 4.511 ( -12.701 0.000 4.238) 13.389 5.415 ( -3.715 0.000 -6.814) 7.761 5.707 ( 15.299 -0.000 1.911) 15.418 5.929 ( 2.011 -0.000 -8.510) 8.745 6.107 ( 14.275 -0.000 11.561) 18.370 6.121 ( -3.135 0.000 -6.675) 7.374 6.307 ( 13.545 -0.000 7.755) 15.608 6.572 ( 12.357 -0.000 7.672) 14.545 7.090 ( -15.783 0.000 -6.847) 17.204 7.103 ( 13.567 -0.000 -1.942) 13.705 7.528 ( 7.610 -0.000 -4.877) 9.039 7.651 ( -4.030 0.000 -5.907) 7.151 7.991 ( -10.624 0.000 32.843) 34.519 8.402 ( -2.143 0.000 -0.247) 2.157 8.774 ( 3.626 -0.000 -2.301) 4.295 8.873 ( 0.204 -0.000 9.073) 9.075 9.411 ( 7.299 -0.000 -10.255) 12.587 9.434 ( -11.308 0.000 -26.959) 29.234 9.945 ( -1.376 0.000 -6.780) 6.918 11.916 ( 9.261 -0.000 0.348) 9.268 11.930 ( 9.151 -0.000 15.113) 17.667 12.966 ( 1.492 -0.000 -1.608) 2.194 13.258 ( -9.419 0.000 -2.649) 9.784 13.557 ( -0.235 0.000 -0.694) 0.733 14.116 ( -4.332 0.000 -0.767) 4.399 14.508 ( 4.593 -0.000 1.178) 4.742 14.856 ( -0.085 0.000 -1.467) 1.470 15.090 ( 0.283 -0.000 -3.279) 3.291 16.165 ( -2.202 0.000 -4.359) 4.884 20.215 ( -4.946 0.000 11.941) 12.924 21.302 ( -2.554 0.000 -2.934) 3.890 21.407 ( -16.503 0.000 -5.217) 17.308 21.826 ( 7.602 -0.000 -4.972) 9.083 21.867 ( -3.008 0.000 1.746) 3.478 22.684 ( 1.413 -0.000 -2.319) 2.716 24.402 ( 9.217 -0.000 6.410) 11.226 24.729 ( -1.918 0.000 -12.805) 12.948 25.076 ( -1.925 0.000 8.138) 8.363 25.491 ( -1.314 0.000 1.458) 1.963 ======================= Grid point 299 (140/227) ======================= q-point: (-0.10 -0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -24.861 -12.341 2.687) 27.885 1.900 ( -35.182 -4.551 -11.649) 37.339 2.216 ( -17.626 -0.364 26.880) 32.146 2.588 ( -2.394 -1.043 3.108) 4.060 2.737 ( -8.761 2.562 7.059) 11.539 2.872 ( -6.791 -6.154 15.511) 18.016 3.721 ( -6.623 -2.947 6.434) 9.692 3.998 ( -11.044 0.970 -9.266) 14.449 4.442 ( -5.486 -1.276 11.367) 12.686 4.535 ( -5.256 -8.757 7.342) 12.579 5.332 ( -2.300 0.317 -5.973) 6.408 5.822 ( 1.545 5.727 -7.287) 9.396 5.939 ( 10.207 5.396 -1.112) 11.599 6.066 ( 1.323 -3.752 -3.794) 5.497 6.401 ( 13.882 3.581 8.484) 16.659 6.588 ( 8.040 -2.041 3.679) 9.075 6.748 ( 4.511 4.273 6.638) 9.092 6.810 ( -4.717 -2.225 -4.633) 6.976 7.266 ( 9.947 0.459 -0.628) 9.977 7.534 ( -5.661 -1.758 -7.339) 9.434 7.614 ( 6.575 -2.724 -4.910) 8.646 8.089 ( -3.216 4.085 31.938) 32.358 8.366 ( -6.337 -4.313 1.612) 7.833 8.619 ( -3.562 9.176 -15.978) 18.766 8.863 ( -7.392 -1.147 -11.922) 14.075 9.100 ( -8.853 2.316 -1.283) 9.241 9.567 ( 8.897 -4.815 -0.199) 10.118 9.917 ( 2.499 -3.307 -8.776) 9.706 12.038 ( 13.108 8.084 4.291) 15.988 12.188 ( 10.237 0.823 7.726) 12.851 12.988 ( -1.876 -4.918 -2.096) 5.666 13.129 ( -6.626 -1.386 1.296) 6.892 13.504 ( -5.963 -0.040 -1.010) 6.048 14.086 ( -0.354 -6.914 -5.385) 8.771 14.576 ( 3.706 0.116 0.383) 3.728 14.846 ( 1.399 0.717 -1.783) 2.377 15.062 ( -1.821 0.739 -0.113) 1.969 16.056 ( -6.920 -0.266 -10.372) 12.471 20.247 ( -4.356 -2.603 13.788) 14.692 21.106 ( -9.827 4.481 -2.634) 11.117 21.301 ( -6.085 -6.851 -3.321) 9.746 21.812 ( -0.480 5.111 3.574) 6.255 21.902 ( 3.717 -1.849 -10.411) 11.208 22.751 ( 6.043 -1.034 6.362) 8.835 24.531 ( 2.845 4.347 -6.827) 8.579 24.584 ( 0.580 -0.064 -6.118) 6.146 25.081 ( -1.356 4.714 10.033) 11.168 25.542 ( -1.052 -9.012 1.830) 9.256 ======================= Grid point 309 (141/227) ======================= q-point: (-0.10 -0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -25.326 0.000 12.473) 28.231 1.271 ( -34.370 0.000 4.334) 34.642 2.124 ( -22.705 0.000 37.896) 44.177 2.500 ( -10.547 0.000 0.587) 10.563 2.692 ( -6.146 0.000 8.114) 10.179 2.901 ( 0.049 -0.000 13.271) 13.271 3.755 ( -10.211 0.000 -12.897) 16.450 3.812 ( 11.874 -0.000 9.495) 15.204 4.441 ( -5.175 0.000 10.882) 12.050 4.491 ( -4.960 0.000 10.475) 11.590 5.295 ( 0.450 -0.000 -2.263) 2.307 5.716 ( -10.075 0.000 -8.068) 12.907 5.937 ( 0.514 -0.000 -7.078) 7.096 6.248 ( 13.965 -0.000 0.430) 13.972 6.452 ( -5.518 0.000 -12.642) 13.793 6.795 ( 11.473 -0.000 9.220) 14.719 6.828 ( 10.504 -0.000 -3.817) 11.176 6.938 ( 5.189 -0.000 8.852) 10.260 7.318 ( -7.306 0.000 -8.511) 11.217 7.433 ( 8.804 -0.000 5.106) 10.178 7.650 ( 6.786 -0.000 -7.552) 10.153 8.203 ( -8.840 0.000 -3.977) 9.694 8.351 ( -3.772 0.000 16.118) 16.554 8.508 ( -2.112 0.000 -12.019) 12.203 8.602 ( 0.450 -0.000 5.079) 5.099 9.075 ( -5.161 0.000 15.303) 16.150 9.650 ( 2.734 -0.000 1.267) 3.014 9.922 ( 7.853 -0.000 -5.862) 9.800 12.314 ( 14.692 -0.000 0.971) 14.724 12.362 ( 4.191 -0.000 0.689) 4.247 12.962 ( 2.392 -0.000 4.357) 4.970 13.061 ( -3.143 0.000 2.553) 4.049 13.358 ( -11.326 0.000 -2.622) 11.625 13.976 ( -0.867 0.000 -8.053) 8.100 14.621 ( 2.253 -0.000 -0.665) 2.349 14.865 ( 2.772 -0.000 -1.505) 3.154 15.028 ( -3.212 0.000 -0.298) 3.226 15.792 ( -16.979 0.000 -16.092) 23.393 20.276 ( -3.498 0.000 16.815) 17.175 20.950 ( -8.896 0.000 -1.647) 9.047 21.217 ( -0.931 0.000 -2.315) 2.495 21.832 ( -3.151 0.000 -14.020) 14.370 21.833 ( -2.012 0.000 2.077) 2.891 22.950 ( 11.641 -0.000 9.273) 14.883 24.397 ( 0.786 -0.000 -15.093) 15.113 24.695 ( 4.484 -0.000 4.059) 6.049 25.181 ( 0.110 -0.000 11.213) 11.213 25.471 ( -1.461 0.000 2.008) 2.483 ======================= Grid point 310 (142/227) ======================= q-point: ( 0.00 0.00 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 9.068 -0.000 27.235) 28.705 1.898 ( 9.434 -0.000 16.878) 19.336 2.341 ( 0.220 -0.000 1.980) 1.992 2.590 ( -6.666 0.000 -2.463) 7.107 2.995 ( 10.493 -0.000 -4.998) 11.623 3.146 ( 3.732 -0.000 6.528) 7.520 3.319 ( -8.505 0.000 30.831) 31.983 3.859 ( -18.495 0.000 -8.444) 20.331 4.494 ( -7.668 0.000 4.978) 9.142 4.617 ( 3.274 -0.000 7.426) 8.115 5.392 ( -0.151 0.000 0.478) 0.502 5.443 ( 6.325 -0.000 -2.310) 6.734 6.083 ( 5.780 -0.000 -1.720) 6.031 6.093 ( 8.538 -0.000 -9.610) 12.855 6.208 ( -10.173 0.000 -3.603) 10.792 6.354 ( 0.291 -0.000 -4.924) 4.932 6.802 ( -18.356 0.000 -1.079) 18.387 6.937 ( 11.293 -0.000 -7.970) 13.823 7.336 ( -9.660 0.000 7.743) 12.380 7.609 ( 5.910 -0.000 -7.070) 9.215 7.690 ( -0.973 0.000 5.112) 5.204 7.891 ( 2.621 -0.000 -5.419) 6.019 8.287 ( -10.258 0.000 10.490) 14.672 8.602 ( 14.883 -0.000 -4.403) 15.521 9.353 ( -8.093 0.000 18.199) 19.917 9.652 ( -2.845 0.000 4.574) 5.386 9.948 ( 14.784 -0.000 -8.687) 17.147 9.956 ( 6.791 -0.000 -10.536) 12.535 12.405 ( 10.600 -0.000 0.847) 10.634 12.479 ( -10.186 0.000 -2.992) 10.617 12.933 ( -9.034 0.000 1.873) 9.226 13.003 ( 4.608 -0.000 -2.180) 5.097 13.189 ( -0.669 0.000 7.546) 7.576 13.589 ( 0.559 -0.000 -12.742) 12.754 14.748 ( 5.709 -0.000 2.209) 6.122 14.833 ( -6.470 0.000 -2.266) 6.855 15.050 ( 9.922 -0.000 0.822) 9.956 15.089 ( -7.675 0.000 -1.264) 7.779 20.779 ( -6.953 0.000 11.722) 13.629 21.019 ( -2.268 0.000 -4.767) 5.279 21.129 ( 14.058 -0.000 15.628) 21.021 21.465 ( -7.059 0.000 -0.587) 7.084 21.842 ( -4.735 0.000 5.959) 7.611 22.527 ( 2.001 -0.000 -24.531) 24.612 24.729 ( -8.249 0.000 0.432) 8.260 24.742 ( 12.515 -0.000 -0.465) 12.524 25.480 ( 2.675 -0.000 2.485) 3.651 25.502 ( -0.985 0.000 1.200) 1.552 ======================= Grid point 311 (143/227) ======================= q-point: ( 0.10 0.00 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 8.090 -8.010 16.141) 19.752 2.186 ( 12.014 -10.011 6.119) 16.793 2.415 ( -3.300 -0.052 -5.346) 6.283 2.448 ( 5.199 -4.312 1.755) 6.979 3.037 ( -13.858 -0.548 -11.881) 18.262 3.149 ( 1.283 -4.749 2.938) 5.730 3.638 ( 14.737 -1.551 27.334) 31.092 3.778 ( 9.660 -5.343 8.795) 14.114 4.443 ( -5.163 -3.912 5.763) 8.670 4.730 ( 4.858 -0.718 4.358) 6.566 5.355 ( -0.460 4.020 -1.194) 4.218 5.490 ( 5.613 4.807 -5.200) 9.036 5.843 ( -11.073 10.196 -9.786) 17.953 6.057 ( -2.799 -0.030 -4.625) 5.406 6.212 ( -0.280 6.270 -0.321) 6.285 6.413 ( 4.973 -2.060 -3.425) 6.380 6.594 ( -10.308 -8.602 3.980) 14.004 7.089 ( 3.975 -2.432 0.047) 4.660 7.250 ( -6.054 -6.577 4.567) 10.038 7.559 ( -0.052 6.854 -3.906) 7.889 7.732 ( -1.084 -1.385 3.763) 4.154 7.950 ( 4.726 -5.037 -6.788) 9.684 8.177 ( -11.333 0.654 8.228) 14.020 8.707 ( 5.356 2.844 -7.676) 9.783 9.339 ( -9.724 0.850 17.689) 20.204 9.636 ( -1.006 2.972 3.800) 4.928 9.883 ( 4.084 8.826 -9.706) 13.740 10.017 ( 3.557 -1.736 -15.377) 15.878 12.245 ( -14.424 3.135 -1.544) 14.841 12.455 ( -8.762 -1.644 2.133) 9.166 12.918 ( 10.682 6.189 0.847) 12.375 13.041 ( 10.199 7.193 1.298) 12.548 13.330 ( 0.824 -11.051 7.050) 13.134 13.584 ( 1.021 -10.659 -12.244) 16.266 14.709 ( -4.704 2.979 -2.427) 6.073 14.803 ( -1.608 -0.877 2.737) 3.293 15.030 ( 4.764 4.929 -1.319) 6.981 15.292 ( 13.458 -9.598 -1.258) 16.578 20.775 ( -5.718 -1.240 12.256) 13.581 20.975 ( -0.686 -1.383 -2.913) 3.297 21.310 ( -1.694 8.043 0.480) 8.234 21.493 ( 14.064 -2.371 6.636) 15.731 21.882 ( -1.978 -9.058 11.207) 14.546 22.432 ( 4.926 -1.834 -22.537) 23.142 24.541 ( -14.241 3.166 -1.892) 14.711 24.860 ( 5.028 -0.187 -1.018) 5.133 25.443 ( -3.221 6.000 1.065) 6.893 25.552 ( 3.280 -2.620 0.893) 4.292 ======================= Grid point 312 (144/227) ======================= q-point: ( 0.20 0.00 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 1.927 -7.793 -1.315) 8.135 2.319 ( 0.017 3.550 -0.969) 3.680 2.448 ( 0.301 -6.687 -0.051) 6.693 2.762 ( 0.203 -12.913 -16.193) 20.713 2.787 ( 7.508 -6.441 12.084) 15.617 3.238 ( -0.721 -4.841 5.737) 7.541 3.950 ( 14.674 -1.211 6.982) 16.295 4.162 ( 8.429 -7.174 7.700) 13.484 4.627 ( 10.795 -8.157 14.766) 20.027 4.830 ( 5.055 -2.676 3.433) 6.671 5.303 ( 2.365 7.376 -0.580) 7.767 5.403 ( 0.754 8.230 -5.610) 9.988 5.568 ( -1.559 7.424 -8.476) 11.375 5.889 ( -14.269 -2.063 -6.269) 15.721 6.160 ( 5.942 9.789 1.817) 11.594 6.363 ( -12.113 -5.189 3.031) 13.522 6.737 ( 5.440 -6.323 2.581) 8.732 7.034 ( -8.488 1.786 6.633) 10.919 7.391 ( -0.712 -7.920 -1.433) 8.080 7.449 ( -0.398 1.136 -1.140) 1.658 7.741 ( -3.102 -0.450 3.461) 4.669 7.932 ( -1.724 0.739 -6.850) 7.102 8.130 ( -3.161 -1.392 4.285) 5.504 8.607 ( -5.992 2.111 -5.605) 8.472 9.291 ( -10.145 1.649 15.455) 18.560 9.607 ( 4.163 5.883 -3.991) 8.238 9.799 ( 2.397 4.145 -6.064) 7.726 9.933 ( 0.070 1.307 -15.500) 15.555 12.007 ( -10.565 5.262 1.815) 11.941 12.297 ( -12.791 1.512 1.646) 12.985 12.998 ( 9.108 3.759 -1.211) 9.927 13.195 ( 13.240 3.476 1.081) 13.732 13.483 ( -1.062 -7.840 6.085) 9.981 13.680 ( 2.280 -14.268 -8.524) 16.776 14.603 ( -2.305 3.396 -2.229) 4.671 14.792 ( -4.227 -2.192 2.994) 5.625 15.062 ( 8.460 6.888 -0.368) 10.916 15.602 ( 13.989 -10.383 -2.922) 17.664 20.794 ( -6.699 -0.965 14.532) 16.031 20.990 ( 2.436 -1.971 -2.068) 3.754 21.192 ( 0.288 5.690 -4.776) 7.435 21.684 ( 6.792 -1.682 -1.360) 7.128 22.178 ( 9.818 -11.139 16.508) 22.203 22.389 ( 5.221 -2.479 -18.796) 19.664 24.218 ( -17.715 7.335 -3.757) 19.538 24.897 ( 0.242 -1.597 -2.038) 2.601 25.318 ( -3.234 7.581 1.337) 8.350 25.638 ( 2.400 -3.442 1.348) 4.407 ======================= Grid point 313 (145/227) ======================= q-point: ( 0.30 0.00 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -0.546 -7.738 -5.009) 9.234 2.253 ( -1.997 2.575 -6.897) 7.628 2.406 ( -4.319 -1.313 1.743) 4.839 2.823 ( 5.919 -7.401 -5.708) 11.063 3.174 ( 11.789 -8.355 4.638) 15.176 3.306 ( -2.767 -3.680 9.286) 10.365 4.107 ( 1.108 0.909 -2.749) 3.100 4.385 ( 8.179 -5.370 4.364) 10.713 4.761 ( 4.184 2.088 -0.905) 4.763 5.018 ( -1.394 -6.535 1.627) 6.878 5.252 ( 1.695 -1.554 -2.746) 3.582 5.461 ( 0.707 3.622 -5.359) 6.507 5.538 ( 14.182 0.288 6.640) 15.662 5.775 ( 7.815 -1.587 6.519) 10.300 6.068 ( -10.622 4.236 -1.210) 11.499 6.310 ( 0.360 3.540 7.942) 8.702 6.769 ( -7.262 -0.194 -4.820) 8.718 6.985 ( -3.032 -3.090 4.271) 6.081 7.295 ( -4.039 4.738 2.186) 6.598 7.518 ( -2.056 -3.822 -2.426) 4.972 7.675 ( -4.441 4.327 2.367) 6.637 7.907 ( -3.990 -11.440 -8.378) 14.730 8.106 ( -1.960 2.800 8.167) 8.853 8.500 ( -4.157 -0.377 1.056) 4.306 9.224 ( -8.560 1.541 11.576) 14.479 9.571 ( 5.063 4.445 -12.493) 14.194 9.761 ( 2.017 2.599 -5.353) 6.283 9.809 ( -0.284 1.545 -11.337) 11.445 11.848 ( -6.134 4.675 3.268) 8.376 12.089 ( -9.486 5.727 -0.238) 11.083 13.109 ( 7.114 -2.950 -1.161) 7.788 13.307 ( 5.788 2.279 -0.411) 6.234 13.577 ( 0.518 -2.137 6.623) 6.979 13.818 ( 1.596 -13.407 -6.698) 15.072 14.537 ( -0.029 3.305 -1.004) 3.454 14.778 ( -3.483 -2.120 2.782) 4.937 15.108 ( 7.436 6.592 0.922) 9.980 15.872 ( 10.847 -8.244 -3.596) 14.091 20.772 ( -8.519 2.477 14.244) 16.781 21.053 ( 4.798 0.392 -0.212) 4.819 21.159 ( 3.367 -2.437 -5.756) 7.100 21.770 ( 3.512 -3.807 -3.106) 6.039 22.343 ( 5.320 -3.152 -19.398) 20.360 22.542 ( 7.067 -3.747 12.188) 14.579 23.877 ( -11.832 6.894 0.319) 13.698 24.873 ( -3.833 -2.197 -3.872) 5.875 25.216 ( -1.412 5.953 1.408) 6.278 25.714 ( 1.036 -2.973 2.588) 4.075 ======================= Grid point 314 (146/227) ======================= q-point: ( 0.40 0.00 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.849 -1.510 -4.764) 5.069 2.223 ( -0.390 -3.331 -0.310) 3.368 2.387 ( -0.705 0.645 -0.454) 1.058 2.939 ( 1.873 -4.206 -0.946) 4.700 3.217 ( -1.352 -1.989 -13.904) 14.111 3.490 ( 1.436 -2.912 21.784) 22.024 3.964 ( -4.540 11.236 -5.671) 13.380 4.474 ( -4.409 -0.566 7.240) 8.496 4.857 ( 8.517 -2.505 -3.030) 9.381 5.086 ( 5.798 -3.953 -9.312) 11.660 5.256 ( -1.693 -0.381 -1.859) 2.543 5.460 ( 1.769 -7.116 0.630) 7.359 5.701 ( -2.437 -3.172 0.870) 4.094 5.809 ( -6.406 -0.661 5.437) 8.428 6.182 ( 13.876 4.690 9.483) 17.449 6.343 ( 9.475 9.402 8.879) 16.032 6.618 ( -3.103 -3.668 -4.535) 6.607 6.986 ( -2.358 -2.983 -2.913) 4.790 7.251 ( -2.720 -0.769 4.783) 5.556 7.402 ( -5.356 6.682 -7.971) 11.699 7.578 ( -6.986 2.146 6.235) 9.607 7.906 ( -6.742 -11.929 -5.020) 14.593 8.192 ( 2.347 -3.010 12.185) 12.769 8.479 ( -1.210 0.828 3.245) 3.561 9.171 ( -6.647 0.443 8.462) 10.770 9.438 ( -0.087 5.681 -18.939) 19.773 9.722 ( 2.417 3.786 -5.252) 6.911 9.782 ( 3.893 -2.013 -6.480) 7.822 11.740 ( -4.990 3.463 0.577) 6.101 11.932 ( -2.334 5.087 1.254) 5.735 13.238 ( 3.990 -6.254 -1.838) 7.643 13.322 ( -0.202 1.614 0.009) 1.626 13.630 ( 1.204 4.024 7.756) 8.821 13.929 ( 1.871 -11.211 -8.167) 13.996 14.510 ( 1.198 2.753 0.091) 3.003 14.776 ( -1.868 -1.575 2.326) 3.374 15.143 ( 4.876 5.435 2.025) 7.577 16.047 ( 6.074 -5.183 -4.012) 8.937 20.702 ( -7.520 4.033 12.144) 14.842 21.091 ( 2.740 1.913 -0.352) 3.361 21.263 ( 5.376 -7.196 -1.960) 9.194 21.832 ( 2.027 -3.423 -3.437) 5.257 22.312 ( 2.711 -2.225 -17.440) 17.789 22.573 ( -4.272 6.567 -0.949) 7.891 23.832 ( 4.673 -0.850 11.424) 12.372 24.779 ( -6.895 -1.789 -6.539) 9.669 25.160 ( -0.453 3.923 1.596) 4.259 25.771 ( 0.287 -1.779 3.394) 3.843 ======================= Grid point 315 (147/227) ======================= q-point: (-0.50 0.00 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -0.378 -1.882 0.603) 2.012 2.244 ( 1.642 1.967 2.900) 3.870 2.350 ( -3.121 -0.133 -3.067) 4.378 2.854 ( -8.798 5.394 -1.973) 10.506 3.167 ( 1.378 -1.560 -10.958) 11.153 3.635 ( -1.980 2.185 19.511) 19.733 3.749 ( -5.985 4.194 0.749) 7.346 4.425 ( -6.590 4.841 9.043) 12.191 4.968 ( 5.100 0.293 -3.698) 6.306 5.072 ( -0.434 3.043 -8.492) 9.032 5.246 ( 0.525 -2.408 -3.043) 3.915 5.411 ( -8.878 1.219 -0.927) 9.009 5.737 ( 3.881 -14.303 7.812) 16.753 6.022 ( -7.089 13.111 -5.196) 15.785 6.040 ( 11.080 -3.079 4.897) 12.499 6.510 ( 9.023 4.194 9.326) 13.638 6.786 ( 8.700 -6.159 1.422) 10.754 6.961 ( -2.720 -1.242 -3.172) 4.359 7.123 ( -7.700 11.649 -1.694) 14.066 7.278 ( -4.335 -9.073 -5.755) 11.586 7.571 ( 3.140 0.213 8.207) 8.790 7.918 ( -3.428 -9.708 -5.013) 11.451 8.348 ( -1.814 -3.759 16.578) 17.096 8.486 ( 0.610 -0.097 2.894) 2.959 9.096 ( -5.460 3.111 -4.632) 7.807 9.254 ( -3.168 2.400 -6.552) 7.663 9.679 ( 4.643 6.359 -5.392) 9.543 9.830 ( 3.835 -2.642 -7.122) 8.510 11.653 ( -1.383 1.257 -0.613) 1.967 11.923 ( 3.049 1.088 2.042) 3.827 13.262 ( -4.450 0.459 -0.816) 4.548 13.336 ( 0.341 -4.811 -0.610) 4.862 13.632 ( 1.377 7.890 7.437) 10.930 14.012 ( 2.993 -7.974 -9.691) 12.902 14.509 ( 1.766 1.811 0.428) 2.565 14.790 ( -0.116 -1.004 1.526) 1.831 15.155 ( 1.833 4.127 2.632) 5.227 16.111 ( 0.972 -2.243 -4.550) 5.165 20.641 ( -5.967 3.666 11.920) 13.825 21.096 ( 0.659 1.091 -0.666) 1.438 21.413 ( 3.878 -7.372 -0.461) 8.343 21.846 ( -0.558 -0.732 -3.265) 3.392 22.157 ( -5.764 8.806 -10.265) 14.702 22.471 ( 2.836 -0.934 -6.354) 7.021 24.080 ( 10.721 -3.500 12.488) 16.826 24.628 ( -7.862 -1.221 -9.151) 12.126 25.130 ( -0.683 2.330 2.329) 3.364 25.806 ( -0.138 -0.046 3.104) 3.107 ======================= Grid point 316 (148/227) ======================= q-point: (-0.40 0.00 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -8.167 11.193 -1.254) 13.913 2.224 ( -8.634 1.228 -2.970) 9.213 2.308 ( 1.072 -2.723 5.713) 6.419 2.729 ( -1.073 3.916 7.700) 8.705 3.026 ( -3.173 10.279 -7.306) 13.004 3.657 ( -5.359 5.315 15.321) 17.079 3.754 ( -5.062 -8.118 9.539) 13.510 4.287 ( -8.366 9.604 8.112) 15.101 4.848 ( -10.340 10.305 -1.782) 14.706 4.944 ( -1.052 4.656 0.809) 4.842 5.247 ( 2.982 -2.743 -6.843) 7.953 5.496 ( 5.050 -6.298 0.327) 8.080 5.763 ( -0.221 10.231 -3.105) 10.694 6.018 ( 5.930 -9.080 8.656) 13.876 6.174 ( 2.154 -3.700 -5.228) 6.758 6.665 ( 6.079 -2.076 2.450) 6.875 6.714 ( -13.857 3.520 -7.607) 16.195 6.860 ( -1.878 4.594 -0.135) 4.965 7.113 ( 10.753 1.203 5.637) 12.200 7.329 ( -1.336 -12.216 -1.083) 12.337 7.713 ( 9.496 3.658 2.684) 10.525 7.947 ( -1.332 -10.676 -9.590) 14.413 8.406 ( -4.504 1.064 11.513) 12.409 8.554 ( -2.131 -3.282 10.133) 10.862 8.891 ( -4.797 3.554 -13.525) 14.784 9.218 ( -2.890 -0.386 8.486) 8.973 9.654 ( 7.623 7.617 -4.463) 11.664 9.831 ( 1.261 -0.582 -8.892) 9.000 11.699 ( 5.921 -3.400 1.424) 6.975 12.000 ( 4.758 -2.783 -0.060) 5.512 13.163 ( -6.545 1.868 0.438) 6.820 13.350 ( -3.676 -2.114 -0.089) 4.242 13.604 ( 0.435 7.483 5.366) 9.219 14.058 ( 4.503 -2.694 -10.719) 11.934 14.526 ( 1.960 0.361 -0.124) 1.997 14.815 ( 1.550 -0.224 0.480) 1.638 15.140 ( -1.078 2.792 2.535) 3.922 16.064 ( -4.244 0.226 -5.412) 6.882 20.610 ( -4.808 2.994 13.214) 14.377 21.078 ( -1.334 0.443 -0.615) 1.534 21.481 ( -3.937 -5.182 -5.765) 8.694 21.793 ( 1.397 5.959 -0.160) 6.123 21.934 ( -4.012 7.046 -2.715) 8.550 22.563 ( 7.645 -5.855 -2.971) 10.078 24.290 ( 2.400 -2.000 -3.072) 4.381 24.510 ( 0.457 -1.425 -0.047) 1.497 25.121 ( -0.850 0.597 3.474) 3.626 25.804 ( -0.955 2.220 1.986) 3.128 ======================= Grid point 317 (149/227) ======================= q-point: (-0.30 0.00 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -11.994 15.382 5.550) 20.280 2.016 ( -10.455 11.511 3.186) 15.873 2.398 ( -0.197 -4.439 5.683) 7.214 2.718 ( -4.537 6.149 3.690) 8.486 2.892 ( 0.258 3.581 6.821) 7.709 3.509 ( -16.399 10.186 16.100) 25.137 3.821 ( -4.712 -3.056 4.451) 7.166 4.128 ( -2.657 13.064 11.197) 17.409 4.636 ( -5.887 3.568 2.138) 7.208 4.897 ( -1.605 6.809 6.837) 9.782 5.218 ( -1.193 1.799 -3.903) 4.461 5.571 ( 7.274 -2.662 -5.597) 9.556 5.766 ( -4.205 -3.409 -6.131) 8.179 6.083 ( 7.451 1.056 -2.485) 7.925 6.345 ( -18.709 -4.112 -13.939) 23.691 6.373 ( 2.692 -11.369 7.425) 13.843 6.763 ( 5.769 1.718 -6.531) 8.882 6.880 ( 4.837 -2.352 7.439) 9.179 7.341 ( 14.003 0.031 6.461) 15.422 7.433 ( 1.811 -3.651 -1.458) 4.329 7.730 ( 5.198 12.195 -2.214) 13.440 7.980 ( -2.308 -11.450 -11.611) 16.470 8.364 ( -2.868 2.618 -1.337) 4.107 8.557 ( -8.656 -2.250 2.588) 9.310 8.812 ( 1.030 1.041 12.664) 12.748 9.272 ( -2.193 -1.855 13.193) 13.502 9.684 ( 10.544 6.353 -3.199) 12.719 9.773 ( -0.094 -0.034 -9.106) 9.106 11.907 ( 11.447 -7.233 1.404) 13.613 12.118 ( 5.170 -6.241 -1.645) 8.270 13.044 ( -7.104 1.791 1.374) 7.454 13.279 ( -6.532 1.459 1.404) 6.839 13.543 ( -2.807 5.858 2.881) 7.106 14.052 ( 6.260 4.414 -11.914) 14.164 14.552 ( 1.398 -1.236 -1.182) 2.209 14.846 ( 3.272 1.028 -0.496) 3.465 15.097 ( -3.463 1.420 1.826) 4.165 15.903 ( -10.131 2.427 -6.476) 12.267 20.614 ( -3.840 2.329 15.621) 16.254 21.032 ( -4.201 0.120 -0.298) 4.213 21.350 ( -5.067 3.454 -7.518) 9.702 21.768 ( 0.831 4.182 -5.941) 7.312 21.846 ( -1.920 1.172 7.096) 7.444 22.759 ( 8.929 -6.438 0.233) 11.010 24.186 ( -2.182 -0.786 -14.421) 14.606 24.650 ( 6.431 -1.038 7.249) 9.746 25.150 ( 0.281 -1.909 4.753) 5.129 25.751 ( -2.478 4.682 0.957) 5.383 ======================= Grid point 318 (150/227) ======================= q-point: (-0.20 0.00 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -2.547 19.996 18.608) 27.434 1.735 ( -12.497 16.343 15.865) 25.980 2.464 ( -1.900 -3.042 5.765) 6.789 2.559 ( -7.429 4.574 -1.175) 8.803 2.943 ( -0.482 2.554 13.241) 13.494 3.274 ( -13.830 6.398 13.067) 20.074 3.657 ( -15.479 6.203 1.399) 16.735 4.125 ( 8.987 10.824 8.864) 16.629 4.599 ( -4.431 -1.491 6.455) 7.970 4.790 ( -8.609 8.233 8.820) 14.822 5.237 ( 2.897 -3.947 0.806) 4.962 5.534 ( -9.664 -1.392 -9.530) 13.644 5.775 ( 10.096 -4.530 -3.269) 11.539 5.993 ( -11.750 -5.141 -19.059) 22.973 6.250 ( 7.131 -5.049 -0.633) 8.760 6.554 ( -4.407 -10.275 -3.306) 11.659 6.823 ( 11.893 4.384 -0.801) 12.700 7.061 ( 3.326 -8.202 4.992) 10.161 7.378 ( -1.586 10.268 -3.332) 10.912 7.571 ( 11.797 1.971 3.136) 12.365 7.651 ( 3.590 6.952 -2.619) 8.251 7.948 ( -5.336 -6.774 -8.644) 12.210 8.311 ( 2.690 0.193 -4.014) 4.836 8.440 ( -6.987 2.933 1.820) 7.793 9.036 ( 7.917 -4.500 23.078) 24.810 9.364 ( -0.931 -1.785 15.415) 15.546 9.698 ( -1.588 1.096 -0.562) 2.009 9.800 ( 13.134 1.233 -9.291) 16.136 12.145 ( 7.796 -7.564 -4.343) 11.698 12.293 ( 10.298 -6.156 1.359) 12.074 12.952 ( -6.799 -2.697 1.883) 7.553 13.160 ( -9.194 0.344 2.185) 9.456 13.422 ( -5.253 7.694 1.675) 9.466 13.966 ( 5.776 11.768 -14.073) 19.233 14.581 ( 1.231 -2.263 -1.179) 2.833 14.882 ( 4.747 2.064 -1.245) 5.324 15.033 ( -4.911 0.669 1.020) 5.060 15.626 ( -15.940 4.161 -5.764) 17.453 20.668 ( -2.086 0.980 19.078) 19.217 20.950 ( -5.559 1.056 0.649) 5.695 21.210 ( -0.606 5.296 -6.578) 8.467 21.663 ( -6.430 -0.246 -2.464) 6.890 21.880 ( 0.638 1.103 4.503) 4.680 22.872 ( 1.306 -2.064 -10.525) 10.805 24.189 ( 11.621 -3.036 -4.996) 13.009 24.764 ( 2.117 -0.432 4.595) 5.078 25.243 ( 2.709 -4.365 5.412) 7.462 25.646 ( -4.044 5.970 0.981) 7.277 ======================= Grid point 319 (151/227) ======================= q-point: (-0.10 0.00 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.128 21.906 25.478) 33.601 1.677 ( 2.478 6.496 26.869) 27.754 2.397 ( -6.549 2.380 0.507) 6.987 2.544 ( 2.235 -1.694 8.299) 8.760 3.015 ( 2.829 1.778 10.254) 10.785 3.100 ( -8.591 3.620 -3.207) 9.859 3.382 ( -16.904 4.423 15.448) 23.322 4.146 ( -2.350 5.805 -2.836) 6.875 4.567 ( -6.621 0.488 6.355) 9.191 4.613 ( -10.586 2.943 8.051) 13.622 5.337 ( 1.988 -4.216 1.938) 5.048 5.407 ( -1.447 -1.288 -3.565) 4.058 5.912 ( 5.827 -5.670 -5.305) 9.708 5.989 ( 13.528 -3.532 -9.320) 16.803 6.322 ( -5.587 -9.680 -6.108) 12.737 6.479 ( -6.252 1.304 -6.165) 8.877 6.889 ( 7.116 4.883 -6.972) 11.095 7.077 ( -6.689 9.429 -1.720) 11.688 7.310 ( -1.032 -7.633 5.896) 9.700 7.600 ( 4.443 6.120 -7.559) 10.693 7.683 ( 1.067 1.283 5.175) 5.437 7.908 ( -0.748 -2.527 -4.961) 5.618 8.344 ( -6.023 2.632 9.278) 11.371 8.405 ( 11.456 -1.559 -3.525) 12.087 9.306 ( -2.660 -3.168 18.310) 18.771 9.595 ( 14.978 -6.650 7.829) 18.162 9.677 ( 0.500 -0.610 2.910) 3.015 9.913 ( 11.939 1.913 -9.468) 15.357 12.263 ( 6.200 -2.924 -2.815) 7.410 12.506 ( 9.201 -0.009 -0.430) 9.211 12.937 ( -8.285 -12.686 0.365) 15.156 13.050 ( -9.459 -4.118 0.876) 10.353 13.261 ( -3.143 11.341 3.491) 12.275 13.765 ( 1.152 13.789 -14.548) 20.077 14.640 ( 3.985 -2.305 0.701) 4.657 14.915 ( -0.419 -1.511 -2.678) 3.104 14.966 ( 0.923 3.977 1.714) 4.428 15.305 ( -15.925 3.521 -2.257) 16.465 20.782 ( -4.914 -0.914 21.031) 21.617 20.900 ( 3.382 1.314 3.283) 4.893 21.108 ( -0.810 3.860 -5.911) 7.106 21.563 ( -7.977 -2.191 0.072) 8.273 21.881 ( -2.295 2.179 4.517) 5.516 22.716 ( -2.981 1.948 -22.670) 22.948 24.478 ( 19.601 -3.105 0.843) 19.864 24.791 ( -2.652 -0.874 2.429) 3.701 25.383 ( 3.913 -4.258 4.589) 7.383 25.537 ( -3.435 3.756 1.674) 5.358 ======================= Grid point 321 (152/227) ======================= q-point: ( 0.10 0.10 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 12.324 -0.000 5.904) 13.665 2.189 ( 8.382 -0.000 -20.024) 21.707 2.413 ( 6.203 -0.000 6.544) 9.017 2.593 ( -5.008 0.000 -2.729) 5.703 2.744 ( 2.297 -0.000 1.746) 2.885 3.185 ( 1.502 -0.000 6.817) 6.980 3.985 ( 17.641 -0.000 3.336) 17.954 4.036 ( 9.337 -0.000 9.021) 12.983 4.486 ( 6.316 -0.000 19.059) 20.078 4.826 ( 4.966 -0.000 2.068) 5.379 5.396 ( 5.621 -0.000 1.025) 5.714 5.515 ( -0.313 0.000 -8.417) 8.423 5.680 ( -9.363 0.000 -10.581) 14.128 5.860 ( -12.626 0.000 -4.867) 13.531 6.258 ( -8.249 0.000 7.132) 10.905 6.287 ( -3.533 0.000 0.888) 3.643 6.707 ( 16.624 -0.000 -0.193) 16.625 7.053 ( -11.570 0.000 8.112) 14.130 7.189 ( 1.447 -0.000 1.039) 1.781 7.534 ( -4.348 0.000 -5.326) 6.875 7.741 ( -1.649 0.000 5.271) 5.523 7.929 ( 1.722 -0.000 -8.307) 8.484 8.102 ( -4.854 0.000 7.737) 9.134 8.628 ( -8.559 0.000 -9.273) 12.620 9.298 ( -11.797 0.000 16.089) 19.950 9.691 ( 4.455 -0.000 -2.416) 5.068 9.895 ( -1.797 0.000 -11.688) 11.826 9.916 ( 2.271 -0.000 -13.207) 13.401 12.118 ( -6.324 0.000 1.857) 6.591 12.267 ( -14.848 0.000 3.794) 15.325 13.128 ( 6.323 -0.000 2.627) 6.847 13.179 ( 3.696 -0.000 -3.014) 4.769 13.385 ( 9.713 -0.000 8.565) 12.950 13.482 ( 3.765 -0.000 -10.766) 11.406 14.650 ( -3.049 0.000 -2.424) 3.895 14.751 ( -4.776 0.000 3.605) 5.984 15.201 ( 12.508 -0.000 -6.738) 14.208 15.428 ( 13.056 -0.000 2.466) 13.287 20.773 ( -5.234 0.000 12.980) 13.996 20.965 ( 2.935 -0.000 -2.701) 3.988 21.305 ( 0.272 -0.000 -6.436) 6.442 21.645 ( 0.807 -0.000 -1.578) 1.773 22.030 ( 14.191 -0.000 24.409) 28.234 22.360 ( 6.381 -0.000 -20.997) 21.945 24.312 ( -16.210 0.000 -3.908) 16.675 24.873 ( -1.121 0.000 -1.167) 1.619 25.478 ( -0.937 0.000 -0.757) 1.205 25.530 ( -0.909 0.000 1.066) 1.401 ======================= Grid point 322 (153/227) ======================= q-point: ( 0.20 0.10 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 10.539 4.843 -14.549) 18.607 2.335 ( 0.389 2.054 -12.837) 13.007 2.369 ( -1.595 -1.909 5.554) 6.085 2.639 ( 12.064 -8.282 -4.056) 15.185 3.041 ( 15.498 -2.512 16.210) 22.567 3.262 ( 2.005 -0.613 4.186) 4.682 4.096 ( 3.095 -0.478 -3.020) 4.350 4.283 ( 16.679 -2.467 -0.386) 16.865 4.704 ( -4.215 -7.572 10.669) 13.745 4.891 ( 3.354 0.194 -0.138) 3.362 5.352 ( -5.312 7.009 -7.814) 11.765 5.518 ( -2.648 -0.031 -9.306) 9.676 5.611 ( 9.149 4.073 6.649) 12.021 5.709 ( 4.644 -4.376 6.866) 9.373 6.144 ( -11.163 3.403 -0.618) 11.686 6.316 ( 1.517 -3.355 9.998) 10.654 6.866 ( 6.025 9.392 -3.275) 11.630 6.942 ( -7.004 -0.660 7.778) 10.488 7.273 ( 0.565 -12.425 0.863) 12.467 7.402 ( -6.720 1.375 -3.649) 7.769 7.745 ( -2.307 1.998 7.853) 8.425 7.802 ( -10.371 -0.313 -11.817) 15.726 8.141 ( 1.217 0.483 6.802) 6.927 8.454 ( -6.220 -2.259 -3.344) 7.414 9.217 ( -13.077 -0.883 13.112) 18.540 9.685 ( 4.110 4.516 -12.462) 13.878 9.800 ( -0.844 0.135 -7.875) 7.921 9.857 ( 3.125 1.640 -10.853) 11.413 12.002 ( -6.320 8.296 4.372) 11.308 12.144 ( -7.753 -2.332 3.198) 8.705 13.112 ( 1.615 4.178 -1.373) 4.685 13.248 ( -1.641 -5.607 0.696) 5.884 13.531 ( 5.372 -7.560 -8.719) 12.729 13.607 ( 10.898 0.376 6.560) 12.726 14.595 ( -1.152 1.633 -1.411) 2.447 14.725 ( -3.636 -1.860 3.120) 5.140 15.280 ( 10.368 6.938 -5.417) 13.600 15.681 ( 11.608 -7.272 1.150) 13.746 20.788 ( -6.118 -0.058 13.941) 15.225 21.015 ( 5.188 -2.064 -4.079) 6.915 21.256 ( 4.380 7.033 -5.055) 9.706 21.640 ( -2.325 -6.419 -2.384) 7.231 22.313 ( 6.879 0.164 -18.783) 20.004 22.446 ( 13.529 -3.429 18.745) 23.370 24.035 ( -12.410 4.947 -2.708) 13.631 24.826 ( -4.614 -1.486 -2.417) 5.417 25.380 ( -1.538 8.379 -0.459) 8.531 25.588 ( -1.202 -7.753 1.234) 7.942 ======================= Grid point 323 (154/227) ======================= q-point: ( 0.30 0.10 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 8.530 3.306 -9.804) 13.410 2.239 ( 0.182 1.670 -0.355) 1.717 2.423 ( 3.872 2.617 -1.476) 4.901 2.849 ( 11.301 -3.682 -5.537) 13.113 3.234 ( -0.768 2.499 -8.571) 8.961 3.428 ( 11.139 -2.928 18.787) 22.036 4.141 ( 6.205 2.540 -4.350) 7.993 4.437 ( -4.159 -0.304 7.670) 8.730 4.773 ( 8.166 -7.182 -7.626) 13.282 4.950 ( 1.407 -4.702 0.375) 4.923 5.215 ( -0.774 -1.201 -2.819) 3.161 5.415 ( -3.156 2.012 -6.380) 7.397 5.671 ( 5.836 -1.388 5.643) 8.236 5.802 ( -16.463 0.741 0.022) 16.480 6.228 ( 20.905 0.431 14.353) 25.361 6.436 ( 0.382 -3.102 7.134) 7.788 6.694 ( 0.018 11.460 -7.054) 13.457 6.941 ( -2.890 0.149 3.361) 4.435 7.235 ( -8.854 -0.588 -1.634) 9.022 7.456 ( -0.674 -1.461 -1.472) 2.181 7.549 ( -11.469 -12.271 -9.022) 19.066 7.744 ( -1.498 4.924 10.281) 11.497 8.191 ( 0.555 1.781 9.279) 9.465 8.455 ( 0.012 -2.836 2.427) 3.733 9.126 ( -12.239 -3.468 9.407) 15.821 9.557 ( -0.246 4.707 -18.324) 18.920 9.740 ( -0.119 0.453 -2.837) 2.876 9.848 ( 8.579 3.670 -11.212) 14.587 11.848 ( -6.116 5.748 1.250) 8.486 12.069 ( -2.629 5.747 2.953) 6.975 13.112 ( 0.244 -3.850 -2.906) 4.830 13.268 ( -4.604 -4.449 3.469) 7.282 13.652 ( 5.424 -9.183 -7.988) 13.325 13.772 ( 8.665 3.743 6.052) 11.212 14.560 ( -0.121 1.633 -0.873) 1.856 14.723 ( -2.742 -2.610 2.691) 4.644 15.297 ( 7.239 7.379 -3.602) 10.946 15.909 ( 7.700 -6.577 -0.373) 10.134 20.766 ( -7.326 2.141 12.259) 14.441 21.106 ( 4.420 -6.179 -4.218) 8.690 21.222 ( 5.895 8.897 -0.837) 10.705 21.695 ( 0.609 -8.609 -3.059) 9.156 22.279 ( 5.958 -0.419 -18.727) 19.656 22.675 ( 1.498 2.159 6.974) 7.453 23.892 ( 1.719 4.930 6.931) 8.677 24.734 ( -7.253 -1.978 -4.484) 8.754 25.273 ( -1.001 6.508 -0.334) 6.593 25.666 ( -1.504 -7.377 2.299) 7.872 ======================= Grid point 324 (155/227) ======================= q-point: ( 0.40 0.10 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 2.874 2.024 3.205) 4.757 2.264 ( 2.882 0.189 -0.441) 2.921 2.422 ( 6.723 7.014 -4.899) 10.881 2.969 ( 2.304 4.041 -2.681) 5.369 3.080 ( 1.313 -2.420 -14.804) 15.058 3.681 ( 4.711 2.439 18.744) 19.480 4.028 ( -4.075 15.760 -2.431) 16.459 4.477 ( -0.194 -2.220 11.768) 11.977 4.923 ( 10.794 -1.831 -9.997) 14.826 5.051 ( 5.419 -6.672 -4.799) 9.845 5.249 ( 0.981 4.356 -6.638) 8.000 5.399 ( 0.298 -13.784 8.574) 16.236 5.488 ( -14.450 3.604 -1.600) 14.978 5.933 ( 11.031 -5.940 8.112) 14.926 6.269 ( -9.122 6.476 -5.974) 12.683 6.520 ( 0.805 -0.711 2.859) 3.054 6.759 ( 13.672 1.543 6.865) 15.377 6.907 ( -0.797 -1.105 -3.114) 3.399 7.110 ( -9.333 -3.587 -5.459) 11.391 7.292 ( -9.084 1.303 -0.668) 9.201 7.592 ( -1.089 -2.123 2.618) 3.542 7.779 ( 3.284 0.638 7.341) 8.067 8.273 ( -0.699 -2.019 14.928) 15.080 8.489 ( -0.524 0.093 2.801) 2.852 9.080 ( -8.476 -5.361 7.025) 12.245 9.336 ( -3.688 5.151 -18.925) 19.957 9.751 ( 2.176 0.417 0.995) 2.429 9.860 ( 10.879 4.704 -13.771) 18.169 11.717 ( -3.336 4.134 -1.340) 5.478 12.003 ( 0.940 5.678 1.440) 5.933 13.137 ( -4.203 -7.789 -2.328) 9.152 13.269 ( -4.837 -3.170 4.902) 7.582 13.767 ( 5.471 -3.653 -4.949) 8.232 13.874 ( 7.212 3.047 2.352) 8.175 14.541 ( 0.408 0.933 -1.161) 1.544 14.737 ( -1.914 -3.211 2.042) 4.260 15.284 ( 4.256 6.561 -2.357) 8.168 16.040 ( 2.789 -3.911 -1.471) 5.023 20.708 ( -6.996 2.753 10.847) 13.198 21.175 ( 3.567 2.258 -4.025) 5.833 21.245 ( 1.656 -3.897 1.851) 4.621 21.793 ( 4.202 -4.544 -1.374) 6.339 22.237 ( 4.433 0.349 -17.239) 17.803 22.577 ( -4.524 7.950 -1.876) 9.338 24.055 ( 11.898 1.141 13.523) 18.048 24.596 ( -8.641 -1.615 -6.711) 11.060 25.200 ( -0.798 4.119 0.053) 4.196 25.735 ( -1.880 -6.088 2.760) 6.944 ======================= Grid point 325 (156/227) ======================= q-point: (-0.50 0.10 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -7.134 -1.203 -0.756) 7.274 2.263 ( -1.948 1.473 3.930) 4.627 2.397 ( 8.594 12.501 -1.990) 15.300 2.847 ( 1.037 5.807 1.304) 6.041 3.177 ( 9.564 0.372 -6.400) 11.514 3.757 ( -3.716 11.418 -4.741) 12.910 3.788 ( -3.293 6.280 22.226) 23.330 4.510 ( -2.117 8.733 10.425) 13.763 4.989 ( 5.591 0.752 -12.701) 13.898 5.057 ( -3.423 6.868 -3.730) 8.532 5.209 ( 0.504 -2.975 0.086) 3.019 5.366 ( 1.694 -2.739 4.889) 5.854 5.704 ( 4.935 -15.479 9.129) 18.636 6.015 ( -4.207 8.679 -5.850) 11.281 6.137 ( 4.580 -1.200 -2.537) 5.371 6.516 ( -6.139 -5.644 -3.513) 9.049 6.882 ( -7.020 -0.208 -4.550) 8.368 6.936 ( 2.509 9.309 -0.389) 9.649 6.975 ( -1.740 -16.401 0.452) 16.499 7.170 ( -2.370 2.761 5.576) 6.658 7.674 ( 5.558 -4.107 -0.084) 6.911 7.892 ( 6.984 2.214 6.008) 9.475 8.387 ( -5.090 -2.877 17.474) 18.426 8.493 ( -0.841 -1.445 2.702) 3.178 9.000 ( -5.540 4.523 -11.043) 13.157 9.178 ( -3.270 -2.996 2.091) 4.903 9.786 ( 3.878 2.977 1.099) 5.011 9.863 ( 9.540 4.840 -15.174) 18.566 11.673 ( 2.761 0.839 -0.128) 2.888 11.991 ( 3.054 1.870 -1.658) 3.946 13.116 ( -9.002 -6.275 1.713) 11.106 13.260 ( -5.015 -3.627 1.832) 6.455 13.801 ( 2.972 6.789 1.916) 7.655 13.976 ( 8.601 -2.212 -5.399) 10.393 14.534 ( 0.823 0.090 -1.927) 2.098 14.766 ( -0.806 -3.721 0.980) 3.931 15.246 ( 1.930 5.893 -1.623) 6.410 16.057 ( -2.384 -0.880 -2.300) 3.428 20.659 ( -6.355 1.807 11.685) 13.423 21.148 ( 1.349 5.069 -1.289) 5.401 21.316 ( -2.418 -8.500 -2.354) 9.145 21.884 ( 5.561 2.302 1.154) 6.128 22.131 ( -1.084 7.386 -8.755) 11.505 22.482 ( 4.247 0.393 -5.352) 6.844 24.286 ( 6.417 1.420 2.465) 7.019 24.468 ( -2.220 -2.237 0.105) 3.153 25.155 ( -0.850 2.308 0.865) 2.608 25.777 ( -2.810 -4.349 2.182) 5.619 ======================= Grid point 326 (157/227) ======================= q-point: (-0.40 0.10 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -12.061 5.121 0.021) 13.103 2.265 ( -1.607 3.274 7.000) 7.893 2.392 ( 6.533 9.188 2.802) 11.617 2.877 ( 2.296 7.592 11.598) 14.051 3.129 ( 3.919 16.505 -4.604) 17.578 3.693 ( 2.027 -4.116 -3.070) 5.520 3.758 ( -7.945 9.983 19.707) 23.476 4.424 ( -1.015 12.232 11.432) 16.773 4.806 ( -7.096 9.703 -5.888) 13.385 4.984 ( 1.043 2.867 -1.457) 3.381 5.266 ( 2.586 -0.202 0.580) 2.658 5.511 ( 6.225 -3.213 1.504) 7.165 5.768 ( -7.591 2.668 -3.210) 8.663 6.066 ( -2.155 -6.937 -5.247) 8.961 6.121 ( 8.847 -2.889 3.335) 9.886 6.302 ( -20.324 -1.194 -9.832) 22.608 6.753 ( 1.473 -1.159 -5.345) 5.664 6.882 ( -2.814 0.593 3.706) 4.691 7.217 ( 5.610 -11.162 1.258) 12.555 7.287 ( 8.125 -6.478 6.277) 12.140 7.795 ( 5.732 -3.216 -2.573) 7.059 7.982 ( 6.818 6.734 2.029) 9.795 8.401 ( -5.509 -0.795 6.283) 8.394 8.498 ( -8.170 -1.501 2.676) 8.727 8.832 ( -0.745 0.923 -1.064) 1.594 9.240 ( 0.201 -1.626 10.671) 10.796 9.796 ( 0.394 2.998 -4.161) 5.143 9.834 ( 11.048 6.652 -11.504) 17.282 11.787 ( 9.463 -3.418 1.697) 10.203 12.027 ( 4.603 -1.841 -3.844) 6.274 13.040 ( -10.877 -3.013 4.144) 12.023 13.215 ( -8.166 -4.658 -0.749) 9.431 13.746 ( 0.568 10.415 3.564) 11.022 14.087 ( 9.969 -0.728 -8.159) 12.903 14.531 ( 0.393 -0.749 -2.984) 3.102 14.809 ( 0.329 -4.004 -0.546) 4.054 15.190 ( 1.222 6.027 -1.281) 6.282 15.957 ( -7.904 2.161 -2.888) 8.689 20.643 ( -5.943 0.483 13.921) 15.144 21.087 ( -1.730 4.096 -0.404) 4.465 21.330 ( -1.193 -4.382 -5.599) 7.209 21.866 ( -1.817 5.460 -7.609) 9.540 21.999 ( 1.151 10.365 7.596) 12.902 22.608 ( 10.237 -6.340 -3.653) 12.583 24.196 ( -2.483 1.394 -12.106) 12.436 24.624 ( 7.295 -1.242 9.197) 11.804 25.141 ( 0.167 0.665 2.115) 2.223 25.772 ( -4.706 -2.406 1.126) 5.404 ======================= Grid point 327 (158/227) ======================= q-point: (-0.30 0.10 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -4.027 7.749 14.042) 16.536 2.201 ( -0.005 14.997 7.983) 16.989 2.432 ( 4.721 4.202 6.463) 9.040 2.760 ( -6.346 14.414 3.319) 16.095 3.073 ( 6.652 10.142 8.122) 14.597 3.537 ( -10.112 15.244 8.190) 20.043 3.755 ( -7.238 1.536 7.800) 10.751 4.400 ( 6.728 12.259 8.048) 16.134 4.602 ( -4.275 3.439 -1.390) 5.660 4.979 ( -2.190 4.225 5.332) 7.147 5.226 ( -2.364 5.342 -0.169) 5.844 5.477 ( -17.741 -1.830 -11.307) 21.117 5.688 ( 12.431 -2.397 -1.741) 12.779 5.894 ( -16.262 -3.726 -14.217) 21.919 6.076 ( -3.356 -8.723 -4.099) 10.206 6.404 ( 8.414 -3.714 4.372) 10.183 6.849 ( 7.354 -4.288 2.310) 8.821 6.906 ( 0.391 -2.894 5.598) 6.313 7.390 ( 2.660 -8.147 -0.011) 8.570 7.526 ( 10.326 -6.584 -3.382) 12.704 7.846 ( 1.723 4.936 -3.909) 6.528 7.948 ( 1.947 10.181 1.241) 10.439 8.318 ( -1.749 0.103 -6.480) 6.713 8.416 ( -9.125 -4.703 5.385) 11.592 8.938 ( 1.921 -4.871 15.583) 16.439 9.350 ( 2.793 0.323 12.541) 12.852 9.705 ( -1.337 2.065 -7.532) 7.923 9.879 ( 11.803 4.872 -7.744) 14.933 12.006 ( 11.103 -4.765 -1.599) 12.187 12.144 ( 9.370 -5.624 0.010) 10.929 12.924 ( -11.384 -1.422 3.279) 11.932 13.104 ( -12.961 -4.577 -1.168) 13.795 13.646 ( -0.662 11.679 4.024) 12.370 14.155 ( 9.892 4.413 -11.201) 15.582 14.525 ( -0.258 -2.363 -3.002) 3.829 14.845 ( -0.927 -4.458 -2.650) 5.269 15.142 ( 4.079 7.533 -0.857) 8.609 15.736 ( -13.480 5.224 -2.622) 14.693 20.667 ( -5.260 -1.018 16.709) 17.547 21.009 ( -2.348 3.850 0.465) 4.534 21.311 ( 2.716 1.979 -7.240) 7.982 21.676 ( -9.265 3.587 -3.814) 10.641 21.991 ( 3.365 8.276 6.496) 11.046 22.788 ( 6.218 -5.247 -5.910) 10.056 24.142 ( 7.822 -0.902 -8.037) 11.251 24.753 ( 1.643 -0.507 5.272) 5.545 25.189 ( 3.699 -1.000 3.471) 5.170 25.704 ( -7.442 -0.601 0.541) 7.486 ======================= Grid point 328 (159/227) ======================= q-point: (-0.20 0.10 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 4.058 9.570 22.522) 24.805 2.072 ( 3.691 25.686 15.052) 29.999 2.512 ( -7.991 9.668 -0.501) 12.553 2.531 ( 7.037 3.917 9.893) 12.756 3.127 ( 6.949 8.567 5.831) 12.477 3.273 ( -9.632 13.172 8.416) 18.361 3.564 ( -12.457 10.289 7.999) 18.028 4.355 ( -5.230 11.267 -2.205) 12.615 4.581 ( 0.164 0.221 3.139) 3.151 4.742 ( -14.885 8.972 6.254) 18.471 5.220 ( 1.033 -5.028 -0.088) 5.134 5.311 ( -4.301 -7.032 -5.559) 9.942 5.702 ( 0.481 -8.631 -14.343) 16.747 5.954 ( 13.295 -3.137 2.072) 13.816 6.061 ( -6.785 -9.089 -6.789) 13.219 6.496 ( -0.062 0.421 -0.873) 0.971 7.003 ( 5.014 0.370 1.249) 5.180 7.017 ( 0.189 -6.672 6.682) 9.445 7.457 ( 0.235 8.633 -2.681) 9.043 7.608 ( -0.013 -4.708 -4.929) 6.816 7.699 ( -0.642 4.259 -5.044) 6.633 7.946 ( 5.778 5.055 2.137) 7.969 8.343 ( 1.643 -3.466 -1.324) 4.058 8.370 ( -3.396 -2.361 3.793) 5.612 9.157 ( -0.551 -9.242 17.872) 20.128 9.496 ( 6.171 -2.075 9.206) 11.275 9.634 ( -2.187 -0.405 -1.970) 2.971 9.959 ( 12.489 2.146 -11.055) 16.817 12.188 ( 11.386 -3.027 -1.981) 11.947 12.421 ( 14.012 -7.089 2.669) 15.929 12.776 ( -13.207 -2.191 -0.155) 13.389 12.934 ( -15.573 -5.587 -0.070) 16.545 13.529 ( -0.620 12.624 4.949) 13.574 14.088 ( 5.045 11.603 -16.278) 20.617 14.562 ( 2.560 -4.202 -0.564) 4.952 14.833 ( -4.588 -4.863 -4.052) 7.818 15.140 ( 8.622 9.693 -0.216) 12.974 15.430 ( -15.344 6.939 -0.634) 16.852 20.740 ( -4.765 -2.764 18.517) 19.319 20.956 ( 0.754 3.581 1.937) 4.141 21.255 ( 3.408 8.040 -7.148) 11.285 21.499 ( -10.580 -2.013 0.412) 10.778 21.988 ( 2.321 7.256 5.023) 9.125 22.764 ( -0.978 1.337 -16.635) 16.718 24.366 ( 18.620 -5.869 -0.067) 19.523 24.765 ( -4.412 -1.305 2.308) 5.147 25.310 ( 6.673 -1.933 3.527) 7.792 25.583 ( -9.440 -0.021 1.081) 9.501 ======================= Grid point 329 (160/227) ======================= q-point: (-0.10 0.10 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 2.769 25.380 22.194) 33.828 2.052 ( 10.027 12.072 16.753) 22.956 2.367 ( -1.188 1.252 0.198) 1.737 2.625 ( -0.966 5.981 2.704) 6.634 3.078 ( 8.906 7.314 -7.494) 13.747 3.195 ( -1.609 4.821 10.090) 11.298 3.429 ( -1.381 10.056 23.375) 25.484 3.946 ( -21.070 7.072 -7.598) 23.488 4.546 ( -5.567 3.930 4.545) 8.191 4.658 ( 2.319 3.559 6.416) 7.695 5.302 ( 0.327 -6.521 0.089) 6.530 5.366 ( 4.237 -7.232 -4.313) 9.426 5.850 ( 8.490 -12.981 -4.889) 16.263 5.964 ( -10.250 -11.778 -10.013) 18.549 6.220 ( 14.843 1.989 2.579) 15.196 6.393 ( -7.599 1.954 -4.582) 9.087 6.922 ( -12.607 8.237 0.633) 15.073 7.080 ( 1.024 1.391 -2.024) 2.660 7.310 ( 2.453 5.470 1.995) 6.318 7.575 ( -3.013 1.327 -8.029) 8.678 7.711 ( -0.331 -2.744 6.452) 7.019 7.977 ( 6.491 6.408 -3.967) 9.946 8.277 ( -11.349 -1.978 7.846) 13.938 8.543 ( 13.212 -4.977 -3.993) 14.672 9.310 ( -6.681 -4.834 18.249) 20.026 9.611 ( -3.840 -4.380 2.525) 6.349 9.719 ( 8.946 -8.520 -0.984) 12.393 10.029 ( 9.829 0.290 -14.493) 17.514 12.384 ( 6.743 -1.471 2.572) 7.365 12.510 ( -8.137 2.251 -3.966) 9.327 12.773 ( 7.885 -9.505 2.636) 12.628 12.820 ( -8.555 -9.491 -0.272) 12.781 13.419 ( 0.014 13.055 6.228) 14.465 13.841 ( -0.294 15.952 -16.156) 22.706 14.682 ( 5.684 -4.590 1.095) 7.387 14.781 ( -4.766 -4.470 -3.878) 7.598 15.093 ( -7.887 6.263 4.090) 10.870 15.240 ( 8.048 9.081 -3.175) 12.542 20.789 ( -6.429 0.034 13.793) 15.218 21.005 ( 2.683 -0.738 1.172) 3.019 21.178 ( 2.846 4.636 4.798) 7.253 21.424 ( -2.754 -1.854 -0.965) 3.457 21.955 ( -0.477 8.377 6.084) 10.364 22.579 ( 0.640 4.004 -22.237) 22.603 24.676 ( -1.346 -4.623 1.173) 4.956 24.713 ( 6.571 -2.428 -1.072) 7.086 25.449 ( 0.852 -2.074 3.193) 3.902 25.480 ( -1.739 -1.805 1.210) 2.783 ======================= Grid point 332 (161/227) ======================= q-point: ( 0.20 0.20 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 8.037 -0.000 -10.219) 13.001 2.250 ( -1.666 0.000 -1.596) 2.307 2.475 ( 11.014 -0.000 -5.384) 12.259 2.788 ( 17.252 -0.000 -5.872) 18.224 3.276 ( -2.228 0.000 -3.885) 4.478 3.380 ( 16.736 -0.000 15.602) 22.881 4.141 ( 9.339 -0.000 -3.764) 10.069 4.525 ( 17.764 -0.000 -5.488) 18.592 4.559 ( -16.513 0.000 14.943) 22.271 4.923 ( 3.032 -0.000 -3.626) 4.727 5.238 ( -6.926 0.000 -5.429) 8.800 5.433 ( 1.049 -0.000 -8.767) 8.830 5.637 ( 1.182 -0.000 6.593) 6.698 5.826 ( -13.268 0.000 -2.260) 13.459 6.229 ( 16.784 -0.000 13.726) 21.682 6.386 ( 2.202 -0.000 5.870) 6.270 6.825 ( -1.619 0.000 0.212) 1.633 7.121 ( 4.275 -0.000 -5.480) 6.951 7.142 ( -4.649 0.000 5.295) 7.046 7.258 ( -7.411 0.000 -5.684) 9.340 7.496 ( -12.865 0.000 -9.148) 15.786 7.819 ( -2.265 0.000 16.216) 16.373 8.230 ( 2.178 -0.000 6.258) 6.626 8.398 ( 1.353 -0.000 2.420) 2.773 9.078 ( -15.207 0.000 9.690) 18.031 9.617 ( -1.035 0.000 -19.015) 19.044 9.747 ( -0.126 0.000 -2.721) 2.724 9.890 ( 8.933 -0.000 -11.622) 14.659 11.935 ( -9.218 0.000 0.767) 9.250 12.134 ( -0.063 0.000 5.832) 5.832 13.087 ( -4.294 0.000 -5.856) 7.262 13.194 ( -3.462 0.000 6.948) 7.762 13.519 ( 8.387 -0.000 -9.770) 12.876 13.829 ( 10.717 -0.000 6.365) 12.465 14.580 ( -0.907 0.000 -1.285) 1.573 14.688 ( -2.798 0.000 2.620) 3.833 15.403 ( 7.608 -0.000 -8.893) 11.703 15.813 ( 8.607 -0.000 4.347) 9.642 20.798 ( -6.845 0.000 15.380) 16.835 21.025 ( 4.435 -0.000 -8.617) 9.691 21.413 ( 12.363 -0.000 -2.213) 12.559 21.509 ( -5.553 0.000 -2.235) 5.986 22.278 ( 6.055 -0.000 -18.228) 19.207 22.693 ( 5.031 -0.000 10.828) 11.940 23.965 ( -0.030 0.000 4.371) 4.371 24.708 ( -7.294 0.000 -3.508) 8.094 25.426 ( -1.162 0.000 -2.343) 2.615 25.497 ( -2.401 0.000 2.910) 3.773 ======================= Grid point 333 (162/227) ======================= q-point: ( 0.30 0.20 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -0.913 1.434 4.851) 5.141 2.270 ( 2.001 0.176 -3.907) 4.393 2.589 ( 15.348 5.359 -6.813) 17.627 2.993 ( 16.490 -0.085 -11.898) 20.335 3.120 ( -6.772 3.028 -11.603) 13.772 3.724 ( 14.171 1.032 13.982) 19.934 4.331 ( 15.531 -0.986 2.062) 15.698 4.382 ( -15.219 8.377 18.651) 25.488 4.788 ( 11.319 -11.300 -4.896) 16.727 4.969 ( 7.281 0.403 -3.452) 8.068 5.165 ( -0.941 -3.933 -0.444) 4.069 5.378 ( 1.419 3.690 -9.761) 10.531 5.548 ( -16.155 1.544 -2.638) 16.441 5.792 ( 8.066 -5.233 8.821) 13.048 6.343 ( -4.852 3.530 -1.877) 6.286 6.462 ( 0.757 -5.797 0.034) 5.846 6.875 ( -5.398 9.581 -3.708) 11.605 6.978 ( 4.521 5.103 -1.373) 6.954 7.048 ( -1.814 -3.076 -3.530) 5.021 7.194 ( -9.099 -9.062 0.824) 12.868 7.491 ( 5.694 -2.836 2.027) 6.676 7.889 ( -1.625 4.145 19.382) 19.887 8.269 ( -1.861 1.132 9.034) 9.292 8.495 ( 4.358 0.439 7.186) 8.416 8.931 ( -14.008 -5.503 6.024) 16.210 9.430 ( -4.082 2.428 -19.302) 19.878 9.758 ( 2.713 0.254 0.922) 2.877 9.944 ( 11.977 2.140 -14.724) 19.101 11.807 ( -5.176 2.869 -1.037) 6.008 12.128 ( -1.449 3.908 1.835) 4.554 12.996 ( -5.300 -3.774 -3.979) 7.627 13.197 ( -5.126 -2.335 7.645) 9.496 13.626 ( 10.498 -4.426 -8.815) 14.405 13.995 ( 8.482 3.673 6.046) 11.045 14.552 ( -1.103 0.150 -1.965) 2.259 14.673 ( -2.755 -1.891 1.853) 3.821 15.409 ( 4.755 3.622 -8.159) 10.114 15.959 ( 4.438 -2.566 3.381) 6.141 20.774 ( -8.298 2.687 14.498) 16.919 21.057 ( 4.071 -5.021 -8.142) 10.396 21.366 ( -1.667 6.486 -1.663) 6.900 21.660 ( 11.787 -5.936 -0.171) 13.198 22.243 ( 5.931 0.263 -17.546) 18.523 22.716 ( -3.571 3.430 1.356) 5.134 24.101 ( 10.667 1.850 12.136) 16.263 24.564 ( -8.902 -0.959 -4.875) 10.194 25.327 ( -1.421 7.067 -1.321) 7.329 25.556 ( -2.258 -8.778 2.324) 9.357 ======================= Grid point 334 (163/227) ======================= q-point: ( 0.40 0.20 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -6.002 0.261 -2.197) 6.397 2.268 ( -3.036 -0.304 6.017) 6.746 2.689 ( 11.737 11.383 -5.015) 17.102 2.933 ( 2.263 0.704 -7.046) 7.434 3.167 ( 16.598 1.517 -9.677) 19.273 3.920 ( 7.207 6.735 10.896) 14.697 4.141 ( -12.346 17.727 15.717) 26.715 4.599 ( 7.974 -1.411 8.349) 11.631 4.979 ( 7.803 -3.599 -11.568) 14.410 5.073 ( 7.257 -1.524 2.589) 7.854 5.238 ( -6.672 -0.041 1.541) 6.848 5.293 ( 4.871 -2.315 -7.615) 9.331 5.422 ( 2.909 -5.678 4.219) 7.648 6.037 ( 4.723 -5.761 3.471) 8.218 6.185 ( -1.267 5.608 -5.244) 7.781 6.469 ( -3.647 -1.671 -6.823) 7.915 6.687 ( -7.863 -5.469 -3.369) 10.153 6.816 ( -8.850 -3.546 -7.553) 12.164 7.086 ( -2.506 -0.519 1.805) 3.132 7.262 ( 3.754 6.727 4.793) 9.072 7.598 ( 4.405 -2.808 1.825) 5.533 7.959 ( 1.557 3.352 14.361) 14.829 8.311 ( -5.749 -3.040 16.721) 17.941 8.519 ( -2.121 4.425 3.322) 5.926 8.939 ( -3.390 -9.158 6.474) 11.716 9.196 ( -4.905 3.533 -15.996) 17.100 9.824 ( 4.606 0.943 2.745) 5.444 9.987 ( 13.272 4.793 -16.732) 21.888 11.721 ( -0.338 2.854 -1.051) 3.060 12.060 ( -0.620 3.439 -2.558) 4.331 12.951 ( -7.302 -6.761 -0.628) 9.971 13.191 ( -6.569 -2.734 6.441) 9.598 13.784 ( 11.563 -3.971 -7.754) 14.477 14.078 ( 5.640 7.059 5.089) 10.370 14.525 ( -0.531 -0.916 -3.153) 3.326 14.674 ( -2.686 -3.838 1.087) 4.809 15.368 ( 3.138 4.444 -6.622) 8.570 16.030 ( -0.396 -1.292 1.796) 2.247 20.709 ( -8.560 2.742 13.320) 16.069 21.130 ( 2.289 -7.258 -6.055) 9.726 21.269 ( -1.204 4.772 -1.430) 5.125 21.892 ( 11.257 -1.255 3.414) 11.830 22.208 ( 6.632 0.998 -16.730) 18.024 22.593 ( -3.170 6.799 -1.391) 7.630 24.335 ( 8.250 2.379 6.715) 10.900 24.418 ( -4.615 -1.998 -0.569) 5.061 25.232 ( -1.342 4.788 -0.898) 5.054 25.630 ( -3.175 -8.179 2.273) 9.064 ======================= Grid point 335 (164/227) ======================= q-point: (-0.50 0.20 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -9.623 0.842 -0.569) 9.676 2.267 ( -4.096 -0.608 7.709) 8.750 2.644 ( 6.007 10.133 -1.274) 11.849 3.033 ( 9.938 5.465 5.985) 12.824 3.348 ( 16.907 0.141 -8.690) 19.010 3.831 ( -5.653 18.340 2.340) 19.334 4.000 ( -1.040 11.076 20.857) 23.638 4.632 ( -2.112 5.552 5.642) 8.192 4.981 ( -0.115 4.960 -12.787) 13.716 5.080 ( 0.659 5.543 -3.598) 6.641 5.225 ( 4.876 -1.399 2.167) 5.516 5.429 ( 5.200 -5.857 6.361) 10.090 5.662 ( 4.325 -9.550 5.723) 11.945 6.007 ( -1.766 1.094 -7.021) 7.321 6.149 ( 1.776 3.559 -6.529) 7.645 6.299 ( -11.994 1.216 -6.124) 13.522 6.682 ( -3.170 -6.721 -5.440) 9.209 6.798 ( 0.669 -8.394 0.843) 8.463 7.122 ( -2.574 -7.332 3.795) 8.648 7.168 ( 3.065 9.747 2.883) 10.617 7.734 ( 5.963 -3.480 2.031) 7.196 8.046 ( 2.104 -0.639 5.950) 6.343 8.340 ( -10.531 -3.398 11.946) 16.283 8.485 ( -2.665 0.139 6.790) 7.295 8.870 ( -6.650 1.713 -12.169) 13.973 9.184 ( 4.708 -2.812 9.616) 11.070 9.883 ( 3.650 3.608 1.098) 5.248 9.993 ( 12.726 7.394 -16.672) 22.239 11.747 ( 6.223 -0.387 1.165) 6.343 12.019 ( 1.901 0.514 -4.757) 5.149 12.909 ( -9.828 -7.120 2.169) 12.328 13.139 ( -8.901 -2.329 3.085) 9.705 13.919 ( 9.087 2.679 -3.818) 10.214 14.098 ( 5.129 4.381 0.947) 6.811 14.510 ( -0.139 -1.352 -4.367) 4.573 14.696 ( -1.939 -5.501 -0.120) 5.834 15.321 ( 3.513 5.068 -5.041) 7.964 15.995 ( -5.561 1.274 0.643) 5.741 20.656 ( -8.612 0.939 14.597) 16.974 21.151 ( -2.835 -1.515 -3.494) 4.747 21.245 ( 4.780 0.181 -3.165) 5.736 21.982 ( 1.274 4.264 -4.428) 6.278 22.217 ( 7.503 6.473 -0.394) 9.917 22.523 ( 5.033 0.458 -4.599) 6.833 24.228 ( -4.946 1.002 -8.226) 9.650 24.602 ( 8.669 -0.562 9.559) 12.917 25.173 ( -0.549 2.322 0.137) 2.390 25.666 ( -5.106 -6.475 1.754) 8.430 ======================= Grid point 336 (165/227) ======================= q-point: (-0.40 0.20 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -2.721 2.921 8.667) 9.542 2.269 ( -4.445 -1.051 8.218) 9.401 2.644 ( 6.798 9.061 3.984) 12.008 3.100 ( 1.789 11.548 12.327) 16.986 3.446 ( 12.256 18.564 -3.001) 22.447 3.655 ( -0.318 0.614 -1.324) 1.493 3.966 ( -2.279 15.925 19.379) 25.187 4.613 ( 3.767 5.813 4.942) 8.510 4.756 ( -6.814 7.727 -9.620) 14.095 5.001 ( -0.924 2.185 -4.664) 5.233 5.275 ( -0.651 0.022 -0.485) 0.812 5.586 ( -9.262 -0.592 1.716) 9.438 5.687 ( 5.719 6.894 -3.805) 9.732 5.848 ( -19.787 2.454 -11.477) 23.005 5.929 ( -1.946 -4.509 -4.319) 6.540 6.344 ( 11.476 -1.869 5.862) 13.021 6.737 ( 3.891 -4.253 1.683) 6.005 6.862 ( -0.018 -1.965 3.626) 4.125 7.161 ( 0.864 -9.961 -1.421) 10.099 7.346 ( 8.700 -7.520 1.588) 11.609 7.870 ( 5.864 -3.077 1.943) 6.902 8.115 ( 1.980 -0.384 3.689) 4.204 8.284 ( -10.096 -5.584 3.249) 11.986 8.368 ( -9.186 6.493 -5.734) 12.626 8.804 ( -3.301 -6.602 8.465) 11.231 9.353 ( 5.689 -0.065 9.108) 10.739 9.835 ( 2.098 8.336 -5.466) 10.187 10.002 ( 11.162 6.108 -10.356) 16.406 11.920 ( 11.790 -3.190 1.914) 12.363 12.056 ( 6.106 -2.553 -2.962) 7.251 12.841 ( -12.007 -5.912 3.460) 13.824 13.018 ( -12.091 -2.347 -0.831) 12.345 13.906 ( 1.673 11.006 2.995) 11.528 14.187 ( 10.202 -0.609 -5.825) 11.764 14.483 ( -1.184 -1.527 -5.187) 5.535 14.724 ( -2.369 -5.990 -2.639) 6.961 15.303 ( 6.854 6.212 -3.415) 9.861 15.845 ( -10.821 4.321 0.212) 11.653 20.639 ( -8.343 -1.180 16.811) 18.804 21.092 ( -1.089 2.769 -1.179) 3.201 21.304 ( 5.661 -0.907 -5.031) 7.627 21.826 ( -4.817 8.044 -8.861) 12.901 22.215 ( 2.932 10.963 7.527) 13.618 22.659 ( 9.633 -5.675 -5.278) 12.363 24.139 ( 2.655 0.237 -6.906) 7.403 24.740 ( 1.838 -0.655 4.257) 4.683 25.182 ( 3.205 0.275 2.150) 3.869 25.642 ( -7.919 -4.391 1.286) 9.146 ======================= Grid point 337 (166/227) ======================= q-point: (-0.30 0.20 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 6.173 3.673 14.900) 16.541 2.265 ( -5.066 -0.389 8.824) 10.182 2.683 ( 4.236 8.493 8.730) 12.895 2.994 ( 1.221 22.950 14.372) 27.106 3.405 ( 11.917 16.831 -0.295) 20.625 3.608 ( -0.631 8.882 -3.666) 9.630 3.836 ( -7.947 17.955 19.341) 27.561 4.523 ( -9.468 3.029 -2.094) 10.159 4.656 ( 8.461 7.266 -5.114) 12.270 4.978 ( -5.769 2.016 1.379) 6.264 5.060 ( -22.833 0.356 -10.023) 24.939 5.262 ( -0.367 4.500 -1.063) 4.638 5.572 ( -4.973 -3.272 -12.600) 13.935 5.802 ( -1.400 -5.221 -4.010) 6.731 6.024 ( 12.517 0.998 4.648) 13.389 6.496 ( 2.116 -0.300 1.201) 2.451 6.847 ( -2.344 -5.205 10.240) 11.723 6.994 ( 8.369 -3.047 1.815) 9.089 7.303 ( 1.732 -11.865 2.060) 12.166 7.548 ( 9.085 -7.245 -5.781) 12.978 7.918 ( -2.892 10.261 -5.156) 11.843 8.066 ( -3.565 4.203 8.755) 10.346 8.228 ( -8.356 -5.937 -1.911) 10.427 8.252 ( 3.389 -6.828 -4.128) 8.669 8.937 ( -4.288 -10.002 16.177) 19.496 9.459 ( 2.764 -0.454 2.289) 3.618 9.740 ( 2.658 8.787 -1.191) 9.257 10.026 ( 9.315 4.111 -10.984) 14.978 12.135 ( 13.011 -1.832 -0.308) 13.143 12.259 ( 13.021 -6.972 3.135) 15.100 12.729 ( -13.152 -3.593 2.239) 13.817 12.826 ( -15.526 -3.118 -3.370) 16.191 13.809 ( -0.547 12.056 5.395) 13.219 14.262 ( 8.031 4.484 -11.439) 14.678 14.466 ( 0.605 -4.007 -2.322) 4.670 14.713 ( -4.361 -5.664 -4.966) 8.704 15.342 ( 11.411 7.733 -2.521) 14.014 15.591 ( -14.694 7.043 0.992) 16.324 20.669 ( -7.409 -3.301 18.422) 20.129 21.049 ( 1.127 4.346 0.444) 4.512 21.360 ( 6.892 0.636 -5.961) 9.134 21.575 ( -8.218 9.085 -6.167) 13.715 22.188 ( 2.878 10.032 6.647) 12.374 22.756 ( 3.076 -2.067 -10.302) 10.948 24.251 ( 13.429 -4.151 -1.105) 14.099 24.732 ( -5.844 -1.616 0.107) 6.064 25.284 ( 7.067 -0.750 2.820) 7.646 25.550 ( -10.698 -2.443 1.603) 11.090 ======================= Grid point 338 (167/227) ======================= q-point: (-0.20 0.20 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 4.184 3.646 11.982) 13.204 2.287 ( 1.538 -0.832 10.428) 10.574 2.578 ( -6.812 19.091 9.722) 22.481 2.963 ( 10.204 21.402 17.104) 29.235 3.298 ( 3.175 11.840 -15.802) 19.999 3.448 ( -0.411 19.476 7.142) 20.748 3.716 ( 5.161 13.842 17.615) 22.990 4.149 ( -24.462 10.356 -7.602) 27.630 4.609 ( -4.971 1.065 3.781) 6.335 4.769 ( 1.102 5.719 3.228) 6.659 5.091 ( 0.716 -13.727 -5.906) 14.961 5.227 ( 2.282 -0.530 -5.262) 5.760 5.592 ( 1.903 -9.111 -3.033) 9.790 5.759 ( -2.155 -5.102 -8.593) 10.224 6.265 ( 15.735 1.999 4.385) 16.456 6.431 ( -8.464 1.502 -3.517) 9.288 6.946 ( -3.212 -7.742 8.692) 12.075 7.055 ( -2.769 2.489 1.083) 3.878 7.471 ( -1.886 -3.920 0.237) 4.357 7.617 ( 5.821 5.374 -7.200) 10.705 7.704 ( -2.653 3.800 3.953) 6.092 8.092 ( 5.006 4.238 -3.873) 7.618 8.157 ( -12.224 -8.891 5.309) 16.021 8.399 ( 8.417 -7.517 -3.732) 11.886 9.106 ( -5.357 -11.743 17.246) 21.541 9.493 ( -0.013 -2.841 -1.194) 3.082 9.716 ( 3.762 5.439 2.489) 7.066 10.029 ( 6.589 0.843 -14.487) 15.937 12.352 ( 5.491 -1.377 4.693) 7.354 12.549 ( -0.845 -0.781 -3.576) 3.756 12.567 ( 2.186 -7.590 0.902) 7.950 12.649 ( -6.938 -5.607 -0.390) 8.929 13.703 ( -1.491 11.981 7.105) 14.009 14.144 ( 1.367 10.447 -15.271) 18.553 14.572 ( 6.240 -5.024 0.059) 8.011 14.667 ( -4.930 -5.372 -5.085) 8.889 15.275 ( -13.849 8.932 3.943) 16.945 15.440 ( 13.261 8.191 -3.820) 16.048 20.737 ( -6.838 -4.424 17.869) 19.637 21.038 ( 2.983 3.876 1.055) 5.004 21.322 ( -8.790 6.956 -2.481) 11.481 21.421 ( 9.369 2.260 -5.162) 10.933 22.167 ( 2.937 10.001 7.098) 12.611 22.667 ( 0.095 3.176 -16.855) 17.152 24.538 ( 6.960 -7.087 2.642) 10.278 24.641 ( -2.880 -3.742 -2.954) 5.570 25.413 ( -6.618 -0.970 3.156) 7.396 25.434 ( 3.436 -2.053 1.753) 4.370 ======================= Grid point 339 (168/227) ======================= q-point: (-0.10 0.20 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.148 -0.294 7.207) 7.215 2.293 ( -6.228 17.011 6.321) 19.186 2.442 ( 7.567 5.521 10.856) 14.339 2.819 ( 2.189 24.263 0.668) 24.371 3.101 ( -9.068 5.670 -12.427) 16.395 3.329 ( 1.434 11.183 -2.262) 11.500 3.744 ( 2.598 8.876 15.968) 18.453 3.963 ( 15.624 9.925 15.210) 23.958 4.557 ( -2.675 2.533 5.680) 6.770 4.776 ( 3.945 4.475 3.440) 6.886 5.213 ( 1.484 -8.230 -3.143) 8.934 5.301 ( 3.997 -9.747 -5.193) 11.745 5.596 ( -7.657 -9.204 -7.549) 14.154 5.896 ( 11.400 -9.492 -2.115) 14.985 6.190 ( -14.667 2.252 -7.085) 16.444 6.453 ( 6.997 1.562 1.041) 7.244 6.861 ( -10.443 11.886 4.817) 16.539 7.034 ( -4.391 -5.602 7.630) 10.434 7.411 ( -0.691 -3.118 -3.930) 5.064 7.551 ( 2.061 12.988 -5.518) 14.261 7.739 ( -0.898 -0.570 8.567) 8.633 8.014 ( -4.870 -2.008 -7.853) 9.456 8.157 ( -3.036 -0.148 5.339) 6.144 8.584 ( 5.744 -8.038 -4.591) 10.894 9.252 ( -7.188 -8.438 16.852) 20.171 9.528 ( 0.385 -4.249 -0.061) 4.267 9.749 ( 3.473 -0.837 -1.681) 3.948 10.001 ( 3.301 -1.804 -16.570) 16.991 12.187 ( -17.678 -1.210 -0.751) 17.735 12.450 ( -12.675 -3.244 1.066) 13.127 12.768 ( 16.191 -4.565 -1.267) 16.870 12.899 ( 14.958 -6.334 2.516) 16.437 13.591 ( -2.769 11.355 7.304) 13.782 13.904 ( 0.230 14.808 -13.326) 19.923 14.623 ( -3.769 -4.434 -3.581) 6.833 14.741 ( 6.883 -5.507 0.373) 8.823 15.039 ( -9.236 5.176 4.615) 11.549 15.527 ( 15.153 10.028 -4.269) 18.666 20.788 ( -6.754 -1.793 15.512) 17.014 21.031 ( 0.018 3.736 -1.413) 3.994 21.178 ( -2.859 -1.044 -0.688) 3.120 21.537 ( 12.626 1.855 -1.067) 12.806 22.145 ( 3.049 12.195 10.399) 16.314 22.506 ( 2.367 4.398 -20.017) 20.630 24.426 ( -17.119 -6.300 -2.406) 18.399 24.838 ( 9.560 -3.009 -1.418) 10.122 25.317 ( -8.408 -4.106 3.384) 9.950 25.571 ( 6.806 -0.631 1.651) 7.031 ======================= Grid point 343 (169/227) ======================= q-point: ( 0.30 0.30 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -5.620 0.000 -5.022) 7.537 2.259 ( -4.047 0.000 7.819) 8.805 2.848 ( 19.012 -0.000 -2.888) 19.230 2.899 ( -4.639 0.000 -12.554) 13.383 3.209 ( 16.662 -0.000 -14.116) 21.837 4.035 ( 12.830 -0.000 10.359) 16.490 4.343 ( -15.081 0.000 33.099) 36.373 4.632 ( 11.356 -0.000 -0.320) 11.360 4.802 ( 6.353 -0.000 1.942) 6.643 5.101 ( 4.982 -0.000 5.459) 7.391 5.141 ( 10.262 -0.000 -12.979) 16.546 5.309 ( -2.871 0.000 -6.923) 7.495 5.419 ( 0.030 -0.000 -3.979) 3.979 5.942 ( 8.666 -0.000 6.348) 10.742 6.310 ( -3.498 0.000 -6.465) 7.351 6.359 ( 1.757 -0.000 -5.051) 5.348 6.695 ( -14.380 0.000 -5.972) 15.570 6.774 ( -10.599 0.000 -12.624) 16.484 7.037 ( -6.353 0.000 4.195) 7.613 7.357 ( 15.597 -0.000 6.284) 16.816 7.559 ( 2.406 -0.000 1.857) 3.039 8.004 ( -4.526 0.000 17.314) 17.896 8.274 ( -7.386 0.000 14.331) 16.123 8.692 ( -14.047 0.000 1.059) 14.087 8.707 ( 10.043 -0.000 12.821) 16.286 9.241 ( -5.569 0.000 -17.018) 17.906 9.833 ( 5.149 -0.000 2.823) 5.873 10.045 ( 14.542 -0.000 -17.067) 22.422 11.761 ( -1.841 0.000 -1.007) 2.099 12.106 ( -3.341 0.000 -3.260) 4.668 12.867 ( -6.135 0.000 -1.466) 6.308 13.155 ( -6.443 0.000 7.886) 10.183 13.733 ( 14.069 -0.000 -7.612) 15.996 14.171 ( 6.710 -0.000 5.315) 8.560 14.507 ( -2.133 0.000 -3.473) 4.075 14.626 ( -3.314 0.000 0.938) 3.444 15.422 ( 3.228 -0.000 -9.281) 9.827 16.013 ( 0.569 -0.000 4.136) 4.175 20.754 ( -11.956 0.000 17.843) 21.478 21.033 ( 6.249 -0.000 -11.357) 12.963 21.330 ( -2.936 0.000 -1.788) 3.437 21.868 ( 15.012 -0.000 3.252) 15.360 22.218 ( 7.197 -0.000 -17.566) 18.983 22.681 ( -3.730 0.000 -0.506) 3.764 24.369 ( 11.839 -0.000 12.099) 16.928 24.390 ( -9.089 0.000 -4.855) 10.304 25.333 ( -2.771 0.000 -3.125) 4.177 25.485 ( -1.781 0.000 3.892) 4.280 ======================= Grid point 344 (170/227) ======================= q-point: ( 0.40 0.30 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -8.508 0.386 -1.079) 8.584 2.250 ( -4.478 -0.641 7.258) 8.553 2.800 ( 1.893 3.455 -3.827) 5.492 3.102 ( 15.258 1.035 0.733) 15.311 3.334 ( 14.611 -0.077 -14.421) 20.530 4.185 ( 6.971 9.263 5.470) 12.818 4.286 ( -13.825 12.315 33.416) 38.202 4.665 ( -3.207 -0.962 -0.719) 3.424 4.985 ( 7.777 -5.184 1.366) 9.446 5.129 ( -7.887 -1.985 7.758) 11.240 5.261 ( 13.177 3.775 -6.885) 15.340 5.325 ( 10.140 0.184 -15.262) 18.324 5.488 ( 10.282 -5.304 4.142) 12.288 6.014 ( -2.874 -0.188 -5.864) 6.534 6.262 ( 5.260 4.313 -2.841) 7.372 6.353 ( -5.914 3.857 -7.174) 10.066 6.502 ( -2.306 -7.633 -2.227) 8.279 6.647 ( 3.392 -3.822 -6.468) 8.243 6.984 ( -7.432 -4.072 4.359) 9.530 7.451 ( 0.407 11.682 2.541) 11.962 7.632 ( 2.319 -5.358 2.148) 6.221 7.991 ( -7.233 -2.855 5.245) 9.380 8.271 ( -12.236 -2.136 18.434) 22.228 8.529 ( -4.357 2.891 5.655) 7.702 8.857 ( -4.520 -2.301 -8.407) 9.818 9.151 ( 6.331 -0.132 5.789) 8.579 9.932 ( 5.407 0.914 2.944) 6.224 10.128 ( 15.227 3.625 -18.105) 23.933 11.756 ( 2.521 0.683 0.871) 2.754 12.028 ( -1.487 0.084 -5.467) 5.666 12.786 ( -7.345 -3.104 0.383) 7.983 13.100 ( -8.615 -1.049 5.648) 10.355 13.912 ( 15.335 -0.955 -6.587) 16.717 14.244 ( 2.729 5.885 3.664) 7.451 14.464 ( -1.134 -2.642 -4.776) 5.575 14.593 ( -3.757 -2.825 0.558) 4.734 15.401 ( 4.006 1.869 -7.714) 8.891 16.014 ( -3.939 0.388 3.023) 4.981 20.682 ( -12.573 0.991 17.672) 21.711 21.072 ( 6.217 -2.707 -10.567) 12.555 21.295 ( 0.515 1.786 0.560) 1.942 22.042 ( 3.721 1.138 0.126) 3.893 22.263 ( 15.461 -0.114 -12.308) 19.762 22.609 ( -2.065 3.835 -0.660) 4.405 24.236 ( -6.976 -0.069 -4.584) 8.347 24.598 ( 9.054 0.071 8.434) 12.373 25.243 ( -2.566 3.307 -1.583) 4.475 25.518 ( -2.996 -5.425 3.053) 6.909 ======================= Grid point 345 (171/227) ======================= q-point: (-0.50 0.30 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -1.667 0.950 7.072) 7.327 2.244 ( -4.507 -1.022 7.514) 8.822 2.806 ( 5.246 5.208 3.130) 8.028 3.263 ( 7.594 3.513 4.385) 9.447 3.466 ( 11.974 -3.940 -11.814) 17.276 4.059 ( -2.736 21.583 13.006) 25.347 4.267 ( -1.692 10.357 21.871) 24.258 4.637 ( -0.303 -2.670 -0.073) 2.688 4.900 ( -9.805 6.347 -9.558) 15.092 5.127 ( 0.959 3.828 -3.694) 5.405 5.302 ( 2.589 0.659 -4.102) 4.895 5.465 ( 8.847 -2.963 2.658) 9.702 5.723 ( 4.108 -3.288 -2.790) 5.956 5.844 ( -5.888 -2.807 -9.741) 11.723 6.069 ( -10.508 10.423 -9.060) 17.353 6.341 ( 11.400 2.564 4.728) 12.605 6.648 ( 10.091 -4.066 -1.257) 10.952 6.798 ( 5.939 -3.272 2.889) 7.371 6.979 ( -5.839 -7.657 2.764) 10.018 7.323 ( 0.563 7.374 2.397) 7.774 7.710 ( -2.071 -9.378 0.280) 9.608 7.991 ( -4.873 -8.453 2.177) 9.997 8.200 ( -8.941 -2.342 3.149) 9.764 8.523 ( -6.296 5.444 8.912) 12.194 8.675 ( -7.746 -4.235 -3.787) 9.605 9.357 ( 8.881 0.439 9.835) 13.259 9.987 ( 3.224 4.106 1.113) 5.338 10.157 ( 13.224 7.050 -16.689) 22.430 11.858 ( 8.369 -2.310 3.491) 9.358 12.014 ( 3.321 -1.393 -3.605) 5.096 12.712 ( -9.129 -4.576 0.735) 10.239 12.987 ( -11.647 -0.742 1.641) 11.786 14.092 ( 13.006 3.027 -4.094) 13.967 14.198 ( 0.429 4.714 1.064) 4.851 14.447 ( -0.711 -1.978 -5.990) 6.348 14.590 ( -3.450 -5.643 -0.692) 6.650 15.409 ( 7.171 3.174 -5.137) 9.375 15.922 ( -8.692 2.429 1.907) 9.225 20.622 ( -11.525 -0.383 18.270) 21.605 21.111 ( 5.250 -0.610 -8.598) 10.092 21.316 ( 3.854 1.623 1.113) 4.327 21.978 ( -1.768 4.949 -8.243) 9.776 22.422 ( 8.221 5.394 1.636) 9.968 22.572 ( 5.760 -0.705 -4.452) 7.314 24.140 ( -1.431 -0.153 -3.421) 3.712 24.726 ( 1.996 -0.505 2.190) 3.006 25.200 ( 1.116 1.249 1.537) 2.273 25.534 ( -5.395 -4.631 2.461) 7.524 ======================= Grid point 346 (172/227) ======================= q-point: (-0.40 0.30 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 5.790 1.274 10.666) 12.203 2.240 ( -4.971 -1.179 7.725) 9.262 2.869 ( 6.476 7.726 9.679) 13.975 3.320 ( 1.212 6.846 11.313) 13.279 3.591 ( 8.219 -3.544 -9.178) 12.820 3.902 ( 4.402 22.197 11.326) 25.306 4.236 ( -4.586 12.502 18.013) 22.401 4.592 ( -13.740 1.893 -10.635) 17.477 4.725 ( 7.433 -1.523 -1.107) 7.668 4.944 ( -6.765 8.730 -9.557) 14.606 5.268 ( -0.917 6.071 -7.228) 9.484 5.447 ( -13.956 8.808 -0.305) 16.506 5.546 ( -6.156 0.528 -10.875) 12.508 5.760 ( -0.270 1.541 -7.059) 7.231 6.040 ( 13.556 0.552 7.150) 15.335 6.504 ( 5.066 1.984 3.785) 6.627 6.815 ( 3.900 2.066 7.214) 8.457 6.903 ( 6.492 -4.439 -0.935) 7.920 7.042 ( 0.537 -10.155 3.354) 10.708 7.374 ( 4.409 -6.379 -0.373) 7.764 7.847 ( -1.192 -13.150 4.662) 14.003 8.044 ( -1.217 -9.539 -1.760) 9.776 8.108 ( -6.429 -0.885 -5.808) 8.709 8.291 ( -9.748 6.040 -3.987) 12.141 8.738 ( -5.220 -6.490 18.270) 20.079 9.488 ( 5.430 2.482 1.351) 6.121 9.951 ( 2.085 8.477 -0.179) 8.731 10.143 ( 8.785 6.324 -12.947) 16.876 12.090 ( 13.345 -4.049 3.974) 14.501 12.117 ( 8.195 -3.822 1.500) 9.166 12.624 ( -10.235 -4.690 0.183) 11.260 12.795 ( -14.326 -0.345 -2.755) 14.592 14.058 ( -1.542 9.978 3.968) 10.848 14.300 ( 11.794 -0.842 -5.222) 12.926 14.402 ( -1.836 -1.455 -5.976) 6.419 14.586 ( -3.498 -5.550 -4.373) 7.884 15.476 ( 11.208 4.253 -3.114) 12.386 15.730 ( -12.956 5.096 1.649) 14.020 20.605 ( -10.106 -2.265 19.111) 21.737 21.128 ( 5.132 2.356 -5.332) 7.766 21.373 ( 5.481 1.375 -0.693) 5.693 21.792 ( -4.080 8.828 -9.459) 13.567 22.407 ( 1.694 8.885 4.917) 10.295 22.689 ( 7.003 -3.412 -7.261) 10.650 24.180 ( 7.260 -2.305 -0.002) 7.617 24.695 ( -6.654 -1.589 -2.874) 7.420 25.270 ( 5.689 -0.515 3.270) 6.582 25.492 ( -7.914 -2.512 2.358) 8.632 ======================= Grid point 347 (173/227) ======================= q-point: (-0.30 0.30 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -3.538 -0.257 7.735) 8.510 2.251 ( 4.956 -1.175 6.941) 8.609 2.920 ( 2.489 12.207 14.857) 19.389 3.329 ( 0.239 9.801 15.881) 18.663 3.604 ( 4.681 11.250 -8.808) 15.035 3.874 ( 10.161 13.063 6.498) 17.780 4.075 ( -6.481 18.277 9.935) 21.788 4.307 ( -14.015 2.880 -5.802) 15.440 4.665 ( -14.167 3.380 -6.650) 16.011 4.846 ( 9.009 -0.946 -5.617) 10.659 4.926 ( -10.597 9.175 1.875) 14.142 5.327 ( 5.010 7.431 -8.035) 12.037 5.469 ( 1.150 -2.464 -0.520) 2.769 5.710 ( -0.564 -0.417 -7.559) 7.591 6.302 ( 14.289 1.008 6.734) 15.828 6.474 ( -5.471 2.789 -2.306) 6.560 6.820 ( -4.565 -2.046 6.879) 8.505 7.036 ( 3.513 -4.320 -3.976) 6.842 7.272 ( 4.393 -9.733 10.718) 15.130 7.559 ( 7.699 -8.866 -2.843) 12.082 7.869 ( -12.601 4.475 -0.220) 13.374 7.913 ( -8.876 -9.312 -0.586) 12.878 8.166 ( -1.507 0.340 -2.343) 2.807 8.212 ( 7.635 -9.014 -2.640) 12.105 8.872 ( -5.221 -8.022 19.276) 21.521 9.496 ( 3.098 2.795 -5.611) 6.992 9.888 ( 1.880 8.676 1.484) 9.000 10.091 ( 4.077 4.611 -12.293) 13.748 12.314 ( 7.352 -2.337 5.545) 9.501 12.364 ( 3.477 -8.262 5.139) 10.332 12.531 ( -4.838 -2.432 -3.413) 6.401 12.575 ( -5.295 -1.142 -4.942) 7.333 13.944 ( -3.700 9.477 6.331) 11.983 14.307 ( 0.897 4.030 -10.142) 10.950 14.465 ( 6.117 -4.474 -1.055) 7.652 14.558 ( -1.197 -3.722 -6.668) 7.730 15.462 ( -15.114 7.338 2.787) 17.031 15.591 ( 13.781 5.198 -2.945) 15.021 20.633 ( -8.856 -4.233 18.923) 21.317 21.140 ( 5.305 4.303 -2.809) 7.386 21.412 ( 0.664 2.664 -1.185) 2.991 21.575 ( 1.205 9.385 -9.201) 13.198 22.378 ( 2.582 8.348 5.859) 10.521 22.706 ( 1.908 0.309 -11.421) 11.584 24.387 ( 8.631 -5.911 3.795) 11.128 24.560 ( -8.413 -3.257 -5.110) 10.369 25.387 ( -3.993 -1.486 3.033) 5.230 25.406 ( 1.594 -0.466 2.276) 2.817 ======================= Grid point 348 (174/227) ======================= q-point: (-0.20 0.30 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -5.135 -2.035 6.464) 8.502 2.372 ( 2.937 -1.317 1.732) 3.656 2.871 ( 0.650 18.859 16.855) 25.302 3.228 ( -12.124 8.914 -0.606) 15.061 3.389 ( -1.370 22.133 -1.582) 22.231 3.642 ( -7.498 15.070 -10.483) 19.830 4.064 ( 4.764 18.827 7.677) 20.883 4.170 ( 15.495 6.791 16.081) 23.341 4.453 ( -12.503 -8.443 1.079) 15.125 4.878 ( 0.822 0.381 9.184) 9.228 4.985 ( 10.135 -6.305 -6.740) 13.708 5.270 ( 6.543 6.214 -8.302) 12.261 5.494 ( -2.314 0.388 -2.130) 3.169 5.731 ( 7.343 -5.545 -4.828) 10.391 6.261 ( -12.590 4.115 -6.210) 14.629 6.486 ( 6.417 1.483 1.661) 6.792 6.865 ( -4.122 -6.935 7.721) 11.167 7.052 ( -1.565 2.720 1.561) 3.505 7.352 ( -7.303 -3.176 -1.607) 8.124 7.656 ( 0.185 -5.959 -8.643) 10.500 7.761 ( -3.980 2.710 12.747) 13.626 7.892 ( -4.878 -5.969 0.661) 7.737 8.175 ( 3.157 -0.904 -2.090) 3.893 8.379 ( 4.786 -7.984 -1.915) 9.504 9.027 ( -3.786 -9.233 16.775) 19.519 9.484 ( 3.429 -0.220 -6.035) 6.945 9.827 ( 0.482 6.456 0.144) 6.476 9.999 ( 1.049 2.458 -13.151) 13.420 12.185 ( -17.565 0.567 -1.109) 17.609 12.328 ( -13.529 -6.335 0.079) 14.939 12.705 ( 17.886 -4.231 0.946) 18.404 12.759 ( 15.262 -4.128 1.063) 15.846 13.820 ( -5.637 8.924 7.182) 12.767 14.175 ( 0.761 8.656 -10.786) 13.851 14.511 ( -2.967 -5.653 -4.313) 7.705 14.636 ( 8.672 -2.889 -1.468) 9.258 15.187 ( -13.423 7.168 4.788) 15.953 15.714 ( 14.498 6.545 -3.933) 16.386 20.689 ( -8.242 -5.592 17.346) 20.002 21.147 ( 4.459 5.700 -1.377) 7.367 21.258 ( -5.893 6.809 -3.418) 9.632 21.586 ( 11.495 2.687 -5.529) 13.035 22.380 ( 3.945 8.290 7.874) 12.095 22.605 ( 1.013 3.927 -15.233) 15.763 24.297 ( -18.241 -4.478 -2.985) 19.018 24.721 ( 12.123 -6.817 0.718) 13.927 25.275 ( -9.335 -0.085 3.457) 9.955 25.540 ( 6.948 -1.956 2.006) 7.492 ======================= Grid point 349 (175/227) ======================= q-point: (-0.10 0.30 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -3.065 -4.117 3.502) 6.213 2.364 ( -1.258 5.685 -0.184) 5.825 2.675 ( -12.007 18.892 -0.303) 22.387 2.904 ( -4.199 7.013 -2.092) 8.437 3.165 ( 5.824 17.539 -1.620) 18.551 3.394 ( -5.722 8.375 2.532) 10.454 4.079 ( 9.169 9.556 4.409) 13.958 4.309 ( 2.754 4.858 8.072) 9.815 4.592 ( 8.497 -7.318 7.265) 13.361 4.997 ( 5.750 1.578 9.869) 11.530 5.194 ( 13.810 -5.516 0.172) 14.872 5.258 ( 5.758 6.471 -3.529) 9.354 5.437 ( 0.304 -2.318 -6.507) 6.915 5.887 ( -3.211 -6.328 -4.155) 8.223 5.999 ( -2.549 1.016 -3.121) 4.155 6.438 ( -10.642 1.919 -0.317) 10.818 6.881 ( -5.632 -0.586 1.956) 5.991 7.009 ( -1.591 3.499 7.901) 8.786 7.290 ( -3.407 -4.497 -2.733) 6.270 7.610 ( -4.166 -3.032 -7.777) 9.329 7.712 ( -6.144 1.698 5.451) 8.387 7.953 ( 3.650 0.627 5.566) 6.685 8.155 ( -2.394 3.369 -2.640) 4.905 8.506 ( -0.696 -7.259 0.403) 7.304 9.176 ( -4.059 -7.633 13.333) 15.890 9.518 ( 4.722 -2.547 -6.936) 8.769 9.769 ( -0.037 1.879 -3.029) 3.565 9.897 ( -0.482 -0.099 -13.284) 13.294 11.943 ( -12.948 -0.747 0.198) 12.972 12.196 ( -12.696 -5.971 -0.809) 14.053 12.979 ( 14.138 0.842 -0.287) 14.166 13.058 ( 14.340 -8.114 1.890) 16.585 13.675 ( -6.667 8.305 5.832) 12.142 13.999 ( 1.227 12.778 -8.633) 15.470 14.512 ( -1.202 -4.598 -2.596) 5.415 14.779 ( 4.248 -3.290 0.070) 5.373 15.014 ( -4.573 2.750 5.243) 7.481 15.812 ( 13.365 7.820 -4.560) 16.142 20.746 ( -8.088 -5.367 15.958) 18.679 21.070 ( -1.703 6.189 -0.743) 6.462 21.174 ( 3.866 3.208 -5.017) 7.100 21.707 ( 10.262 0.679 -3.652) 10.914 22.423 ( 6.256 8.774 10.217) 14.849 22.465 ( 2.585 4.347 -17.037) 17.772 24.051 ( -18.945 -6.027 -2.610) 20.051 24.904 ( 4.961 -1.943 -2.589) 5.924 25.192 ( -6.257 -3.068 3.783) 7.929 25.663 ( 4.719 -0.954 2.383) 5.372 ======================= Grid point 354 (176/227) ======================= q-point: ( 0.40 -0.60 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -1.323 0.000 6.784) 6.912 2.230 ( -4.285 0.000 7.090) 8.284 2.865 ( 5.362 -0.000 2.810) 6.054 3.292 ( 8.448 -0.000 -0.371) 8.456 3.420 ( 11.499 -0.000 -13.224) 17.525 4.384 ( 6.192 -0.000 6.946) 9.306 4.390 ( -16.108 0.000 37.737) 41.031 4.562 ( -4.399 0.000 -2.282) 4.956 4.986 ( -12.011 0.000 -5.774) 13.327 5.086 ( 3.126 -0.000 8.600) 9.150 5.320 ( 6.145 -0.000 -13.636) 14.957 5.508 ( 20.433 -0.000 -11.058) 23.233 5.635 ( 10.489 -0.000 0.031) 10.489 5.811 ( -13.353 0.000 -12.157) 18.058 6.190 ( -10.091 0.000 -6.121) 11.802 6.412 ( 12.967 -0.000 1.119) 13.015 6.585 ( 16.158 -0.000 -1.002) 16.189 6.766 ( 14.448 -0.000 2.714) 14.700 6.860 ( -10.398 0.000 5.231) 11.639 7.533 ( -8.382 0.000 -1.823) 8.578 7.534 ( -4.438 0.000 2.950) 5.328 7.842 ( -9.248 0.000 2.173) 9.500 8.171 ( -9.056 0.000 5.019) 10.354 8.586 ( -3.076 0.000 20.160) 20.393 8.627 ( -11.184 0.000 -15.801) 19.359 9.364 ( 10.088 -0.000 10.789) 14.771 10.029 ( 4.148 -0.000 2.093) 4.646 10.248 ( 13.978 -0.000 -17.687) 22.543 11.829 ( 5.145 -0.000 3.921) 6.469 11.996 ( 3.003 -0.000 -3.576) 4.670 12.659 ( -7.739 0.000 -0.362) 7.747 12.979 ( -11.087 0.000 2.362) 11.336 14.100 ( 15.529 -0.000 -5.595) 16.506 14.328 ( -0.171 0.000 1.578) 1.587 14.382 ( -0.820 0.000 -5.877) 5.934 14.515 ( -4.807 0.000 0.407) 4.824 15.444 ( 7.098 -0.000 -5.718) 9.115 15.950 ( -7.854 0.000 2.420) 8.218 20.618 ( -13.136 0.000 19.154) 23.225 21.099 ( 8.989 -0.000 -11.915) 14.926 21.340 ( 2.323 -0.000 3.712) 4.379 22.034 ( -0.888 0.000 -6.927) 6.984 22.450 ( 15.986 -0.000 -6.231) 17.158 22.602 ( -1.468 0.000 -0.097) 1.471 24.137 ( -2.886 0.000 -1.566) 3.283 24.720 ( 1.975 -0.000 1.134) 2.277 25.221 ( -1.022 0.000 1.147) 1.536 25.472 ( -2.886 0.000 3.277) 4.367 ======================= Grid point 356 (177/227) ======================= q-point: (-0.50 0.40 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 5.346 0.479 9.703) 11.089 2.220 ( -4.255 -0.520 7.060) 8.259 3.004 ( 9.824 3.697 10.224) 14.653 3.359 ( 1.200 -1.208 0.436) 1.757 3.514 ( 10.259 -2.085 -9.405) 14.073 4.329 ( -12.729 11.017 29.943) 34.351 4.395 ( -2.134 7.908 4.293) 9.247 4.634 ( 1.331 -7.133 2.703) 7.743 4.680 ( -14.168 4.053 -6.935) 16.286 5.133 ( -1.820 2.802 -2.263) 4.035 5.322 ( 6.738 1.740 -9.263) 11.586 5.508 ( -12.839 -1.183 -5.861) 14.164 5.647 ( 9.120 7.664 -10.468) 15.859 5.785 ( 4.705 -2.839 -12.619) 13.764 6.076 ( 6.052 2.192 1.157) 6.540 6.614 ( 8.120 6.715 6.227) 12.239 6.752 ( -2.837 -6.056 0.727) 6.727 6.840 ( 10.777 -1.724 6.559) 12.733 6.989 ( 8.659 2.732 3.181) 9.621 7.324 ( -8.374 1.894 -2.081) 8.834 7.559 ( -1.002 -9.374 4.121) 10.288 7.804 ( -5.077 -9.226 -0.155) 10.532 8.083 ( -5.118 -1.201 -2.766) 5.940 8.339 ( -13.447 -0.528 -13.883) 19.335 8.687 ( -4.740 0.546 25.523) 25.965 9.537 ( 7.193 1.363 3.027) 7.922 10.074 ( 2.144 2.495 1.337) 3.551 10.278 ( 8.611 4.137 -15.702) 18.380 11.980 ( 7.959 -3.280 6.589) 10.841 12.086 ( 9.500 -0.579 1.179) 9.590 12.548 ( -7.368 -1.807 -1.904) 7.822 12.795 ( -13.730 0.152 -2.283) 13.920 14.237 ( -1.899 3.933 0.239) 4.374 14.278 ( 7.633 1.455 -1.761) 7.967 14.384 ( 3.350 -0.615 -7.612) 8.340 14.469 ( -3.270 -4.517 -1.905) 5.893 15.537 ( 10.436 1.333 -2.975) 10.933 15.809 ( -11.602 1.842 1.600) 11.856 20.571 ( -11.617 -0.759 19.486) 22.699 21.155 ( 9.313 0.345 -11.443) 14.758 21.411 ( 3.927 1.322 5.088) 6.561 21.934 ( -2.648 3.406 -9.089) 10.061 22.557 ( 0.623 4.127 0.890) 4.267 22.624 ( 8.885 -2.123 -6.238) 11.061 24.145 ( 3.646 -0.815 1.891) 4.187 24.668 ( -6.885 -0.674 -4.682) 8.353 25.262 ( 3.707 -0.151 4.043) 5.487 25.448 ( -4.593 -1.132 2.678) 5.436 ======================= Grid point 357 (178/227) ======================= q-point: (-0.40 0.40 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -4.769 -0.430 6.531) 8.098 2.240 ( 5.455 -0.040 5.991) 8.102 3.149 ( 5.490 8.418 11.950) 15.614 3.423 ( 2.761 -1.486 5.211) 6.082 3.651 ( 10.900 -2.889 -1.290) 11.350 4.136 ( -14.637 7.777 -5.672) 17.519 4.241 ( -16.820 1.786 14.504) 22.282 4.442 ( 2.177 10.345 5.749) 12.034 4.799 ( 1.537 -1.629 0.998) 2.452 4.924 ( -3.025 12.709 -4.004) 13.663 5.247 ( -9.251 12.401 -8.539) 17.671 5.404 ( 3.235 -2.883 3.995) 5.893 5.528 ( 5.283 9.973 -15.038) 18.802 5.711 ( -0.989 0.358 -8.742) 8.805 6.307 ( 15.072 -0.237 7.343) 16.768 6.536 ( -7.238 0.484 -2.730) 7.751 6.874 ( -3.975 -1.305 0.430) 4.206 6.917 ( 3.047 4.579 -0.406) 5.515 7.095 ( 8.234 -6.053 11.211) 15.170 7.365 ( 4.771 -6.979 0.046) 8.454 7.654 ( -7.426 -8.884 4.069) 12.273 7.921 ( 2.047 -9.926 -6.467) 12.022 7.987 ( -4.588 -2.273 -2.387) 5.649 8.121 ( -5.020 -4.801 -6.351) 9.412 8.782 ( -6.078 -0.389 25.962) 26.666 9.582 ( 4.550 3.750 -6.404) 8.705 10.058 ( 0.914 5.688 1.076) 5.861 10.211 ( 3.241 5.288 -12.309) 13.783 12.200 ( 5.727 -5.624 8.539) 11.719 12.254 ( 3.674 -2.906 3.415) 5.796 12.495 ( 1.874 -0.785 -2.214) 3.005 12.558 ( -10.095 -0.467 -6.830) 12.197 14.122 ( -5.648 6.425 4.092) 9.482 14.320 ( -1.469 -2.421 -3.607) 4.586 14.381 ( -1.049 -2.496 -2.341) 3.579 14.522 ( 11.182 0.056 -9.088) 14.410 15.592 ( -14.227 4.143 1.707) 14.916 15.674 ( 12.269 2.253 -1.605) 12.576 20.560 ( -10.163 -2.231 19.151) 21.795 21.206 ( 8.850 1.524 -9.943) 13.398 21.482 ( 3.837 3.223 4.473) 6.717 21.764 ( -2.752 6.696 -9.834) 12.211 22.522 ( 0.326 4.360 2.404) 4.990 22.693 ( 4.293 -1.061 -8.283) 9.389 24.287 ( 8.133 -2.951 4.955) 9.970 24.503 ( -10.578 -1.720 -6.165) 12.364 25.360 ( 2.365 -0.869 3.711) 4.485 25.396 ( -3.622 -0.436 2.086) 4.203 ======================= Grid point 358 (179/227) ======================= q-point: (-0.30 0.40 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -5.188 -0.341 5.346) 7.458 2.339 ( 2.952 -1.295 2.446) 4.046 3.158 ( -1.742 7.260 11.688) 13.869 3.390 ( -5.748 6.172 -7.079) 11.012 3.749 ( -9.591 4.915 0.766) 10.804 3.936 ( 2.997 8.649 -3.953) 9.971 4.081 ( -8.137 -4.955 15.714) 18.377 4.440 ( 1.917 9.555 7.799) 12.482 4.568 ( -2.476 17.832 -2.520) 18.178 4.925 ( -4.533 9.679 2.203) 10.913 4.980 ( 8.081 1.627 2.448) 8.599 5.421 ( 4.247 5.838 -9.688) 12.082 5.563 ( 10.871 1.202 1.872) 11.097 5.638 ( -0.651 -0.686 -7.751) 7.809 6.352 ( -11.208 2.047 -7.209) 13.483 6.517 ( 6.278 1.427 2.881) 7.053 6.767 ( -4.176 -0.808 3.058) 5.238 7.030 ( 6.441 -2.575 -2.358) 7.327 7.251 ( -6.506 -5.489 5.357) 10.058 7.437 ( -5.215 -10.160 -8.103) 14.003 7.694 ( -4.212 -7.127 8.198) 11.652 7.868 ( 1.650 1.473 4.942) 5.415 8.021 ( -0.858 -9.063 -5.312) 10.540 8.263 ( 7.914 -6.587 0.461) 10.307 8.885 ( -4.870 -3.285 22.509) 23.263 9.525 ( 3.571 3.667 -12.868) 13.849 9.989 ( -0.857 7.281 -0.357) 7.340 10.100 ( 0.094 5.513 -9.135) 10.670 12.195 ( -14.115 -0.902 -1.840) 14.263 12.206 ( -13.390 -3.175 1.214) 13.815 12.548 ( 12.405 -7.422 0.141) 14.456 12.728 ( 18.157 -0.598 1.536) 18.232 13.986 ( -8.131 5.843 5.695) 11.520 14.280 ( -0.212 1.270 -5.151) 5.309 14.382 ( -2.067 -5.320 -2.758) 6.339 14.629 ( 11.798 1.839 -7.182) 13.934 15.334 ( -14.652 5.617 3.270) 16.029 15.820 ( 12.644 3.029 -1.983) 13.152 20.579 ( -9.196 -3.872 17.863) 20.461 21.244 ( 7.984 2.760 -8.268) 11.820 21.442 ( -4.415 8.734 0.314) 9.792 21.659 ( 6.608 3.543 -6.348) 9.824 22.509 ( 0.966 3.320 3.387) 4.840 22.666 ( 1.503 1.500 -10.322) 10.538 24.244 ( -14.963 -0.293 -2.986) 15.261 24.566 ( 10.867 -6.450 3.185) 13.032 25.291 ( -7.540 1.145 2.495) 8.024 25.489 ( 5.315 -2.445 2.241) 6.265 ======================= Grid point 359 (180/227) ======================= q-point: (-0.20 0.40 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -3.607 -1.481 3.578) 5.292 2.388 ( 0.372 -1.040 1.007) 1.495 3.028 ( -15.008 7.784 -13.082) 21.377 3.137 ( -4.378 11.011 10.102) 15.571 3.553 ( -11.094 7.305 8.158) 15.588 3.605 ( -4.179 20.367 -7.730) 22.182 4.148 ( -13.495 -4.715 -0.347) 14.299 4.460 ( 5.562 11.477 7.059) 14.577 4.519 ( 12.884 1.252 13.032) 18.368 4.944 ( 7.045 -1.164 0.706) 7.175 5.141 ( 11.189 2.041 8.937) 14.465 5.385 ( 5.903 2.927 -7.618) 10.072 5.589 ( 8.190 8.696 -0.965) 11.984 5.736 ( 6.619 -4.091 -0.715) 7.814 6.085 ( -11.597 3.892 -7.998) 14.615 6.466 ( -10.205 0.881 -2.645) 10.579 6.773 ( -5.354 -4.847 3.059) 7.843 7.093 ( 3.316 0.846 -3.712) 5.048 7.202 ( -5.551 -3.964 1.789) 7.052 7.403 ( -4.935 -9.922 -8.986) 14.267 7.747 ( -8.047 -3.665 9.702) 13.127 7.923 ( 2.788 0.826 7.842) 8.364 8.187 ( 7.327 -6.296 2.199) 9.907 8.375 ( 1.621 -1.270 0.293) 2.080 9.021 ( -1.963 -5.552 16.271) 17.304 9.465 ( 4.016 -1.293 -15.396) 15.963 9.862 ( -3.561 6.124 -4.219) 8.245 9.973 ( -0.983 5.880 -6.603) 8.896 11.949 ( -13.600 0.732 -0.964) 13.654 12.076 ( -11.208 -4.284 -1.732) 12.123 12.851 ( 12.910 -9.783 2.082) 16.331 13.001 ( 16.405 0.622 0.818) 16.437 13.830 ( -9.548 5.307 5.248) 12.119 14.211 ( 0.919 5.695 -6.134) 8.420 14.405 ( -0.177 -4.746 -2.077) 5.183 14.729 ( 8.066 -0.099 -4.257) 9.121 15.110 ( -10.650 4.814 5.892) 13.089 15.943 ( 11.531 3.957 -3.326) 12.636 20.617 ( -8.436 -5.273 15.966) 18.812 21.249 ( -3.431 7.460 -3.426) 8.897 21.269 ( 5.602 5.905 -4.453) 9.278 21.726 ( 9.141 1.119 -4.417) 10.214 22.517 ( 0.226 1.139 1.726) 2.080 22.579 ( 1.735 3.962 -10.682) 11.524 23.994 ( -15.101 1.061 -0.540) 15.147 24.805 ( 8.152 -6.112 0.909) 10.229 25.179 ( -7.546 1.191 2.595) 8.068 25.613 ( 4.714 -3.198 2.429) 6.193 ======================= Grid point 360 (181/227) ======================= q-point: (-0.10 0.40 -0.62) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -0.666 -2.640 1.350) 3.039 2.392 ( -0.250 0.986 0.217) 1.040 2.545 ( -17.131 14.110 -9.307) 24.066 3.021 ( -1.782 10.000 2.192) 10.391 3.366 ( 0.500 8.190 -12.765) 15.175 3.426 ( -5.075 7.481 19.550) 21.539 4.003 ( -9.850 -6.159 -3.422) 12.111 4.482 ( 0.458 2.926 5.957) 6.652 4.744 ( 8.755 0.306 4.773) 9.976 5.059 ( 6.787 -0.926 -4.324) 8.101 5.294 ( 2.906 2.663 1.558) 4.239 5.431 ( 7.554 1.824 1.180) 7.861 5.722 ( 7.443 11.746 -0.629) 13.919 5.789 ( 13.299 -0.539 7.393) 15.225 5.948 ( -3.599 -4.932 -1.415) 6.267 6.244 ( -12.935 -1.803 0.854) 13.088 6.734 ( -7.342 -4.062 -2.432) 8.736 7.066 ( -0.139 3.608 -2.799) 4.568 7.219 ( -0.943 -2.355 4.227) 4.929 7.405 ( -2.610 -10.558 -8.540) 13.829 7.673 ( -8.489 2.090 5.846) 10.517 8.037 ( -0.659 -2.214 10.842) 11.085 8.202 ( 0.992 11.984 -2.546) 12.292 8.441 ( -0.701 -5.149 4.176) 6.667 9.145 ( -2.714 -4.522 10.888) 12.098 9.460 ( 4.208 -5.870 -17.186) 18.642 9.730 ( -2.075 0.601 -6.956) 7.284 9.854 ( -0.814 5.541 -4.851) 7.409 11.793 ( -7.606 -0.750 1.633) 7.815 11.963 ( -8.451 -4.462 -1.484) 9.671 13.152 ( 10.587 -9.859 0.988) 14.501 13.187 ( 11.004 3.194 -0.635) 11.475 13.669 ( -8.721 4.373 5.334) 11.119 14.089 ( 0.840 10.011 -7.264) 12.397 14.453 ( 1.048 -3.999 -0.330) 4.147 14.790 ( 0.729 -0.833 -0.506) 1.217 15.035 ( -0.149 0.189 5.713) 5.718 16.021 ( 9.215 4.891 -4.402) 11.323 20.665 ( -7.693 -5.914 14.271) 17.258 21.107 ( -1.523 5.581 -0.813) 5.841 21.271 ( 6.207 5.601 -4.623) 9.554 21.813 ( 6.878 0.657 -4.125) 8.047 22.435 ( 1.013 4.016 -14.514) 15.093 22.561 ( -0.731 -2.071 1.135) 2.472 23.812 ( -7.687 1.895 5.281) 9.517 24.898 ( -0.579 -0.658 -5.065) 5.140 25.117 ( -3.163 -2.543 3.988) 5.690 25.721 ( 2.855 -1.986 3.210) 4.732 ======================= Grid point 366 (182/227) ======================= q-point: (-0.50 0.50 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -4.110 -0.000 6.176) 7.419 2.241 ( 4.845 -0.000 5.868) 7.610 3.306 ( -4.695 -0.000 -1.446) 4.913 3.316 ( 15.105 -0.000 12.427) 19.560 3.615 ( 11.499 -0.000 -0.384) 11.505 4.205 ( -22.643 -0.000 -17.895) 28.861 4.287 ( -18.226 -0.000 25.153) 31.062 4.659 ( -0.441 0.000 3.801) 3.826 4.687 ( 7.346 -0.000 13.112) 15.030 5.096 ( -5.360 -0.000 -3.796) 6.568 5.328 ( -6.981 -0.000 6.175) 9.321 5.390 ( 8.543 0.000 -10.520) 13.552 5.704 ( 0.182 0.000 -10.647) 10.648 5.721 ( 7.308 -0.000 -23.599) 24.704 6.307 ( 18.269 -0.000 5.985) 19.224 6.475 ( -16.966 -0.000 -0.116) 16.966 6.901 ( -8.980 -0.000 6.244) 10.938 6.941 ( 11.987 -0.000 7.248) 14.008 7.152 ( 4.310 0.000 0.350) 4.324 7.226 ( -0.844 -0.000 -2.871) 2.992 7.577 ( 6.129 -0.000 7.483) 9.673 7.709 ( 0.351 -0.000 -0.664) 0.751 7.986 ( -2.088 -0.000 -5.313) 5.709 8.044 ( -11.594 -0.000 -12.284) 16.892 8.791 ( -7.411 -0.000 28.707) 29.649 9.628 ( 4.983 -0.000 -5.673) 7.551 10.122 ( 1.245 -0.000 1.258) 1.770 10.280 ( 2.531 -0.000 -13.116) 13.358 12.132 ( 7.384 -0.000 9.353) 11.917 12.217 ( 0.893 -0.000 2.766) 2.907 12.487 ( 7.120 -0.000 -1.750) 7.332 12.554 ( -13.950 -0.000 -7.289) 15.739 14.225 ( -8.254 -0.000 2.487) 8.620 14.254 ( -0.313 -0.000 -1.012) 1.059 14.355 ( -3.499 -0.000 -3.178) 4.727 14.527 ( 15.459 -0.000 -9.149) 17.963 15.640 ( -13.828 -0.000 1.128) 13.874 15.697 ( 11.619 -0.000 -0.892) 11.654 20.535 ( -10.582 -0.000 19.169) 21.896 21.220 ( 10.225 -0.000 -12.729) 16.327 21.524 ( 4.259 -0.000 7.083) 8.265 21.844 ( -3.514 -0.000 -9.691) 10.309 22.571 ( -1.156 -0.000 0.295) 1.193 22.677 ( 5.481 -0.000 -7.411) 9.217 24.255 ( 8.016 -0.000 5.569) 9.761 24.484 ( -11.154 -0.000 -6.322) 12.820 25.350 ( 4.200 -0.000 3.931) 5.752 25.391 ( -5.051 -0.000 2.076) 5.461 ======================= Grid point 368 (183/227) ======================= q-point: (-0.40 0.50 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -4.458 0.086 4.506) 6.340 2.322 ( 2.358 -0.245 2.493) 3.440 3.210 ( -6.838 -0.819 0.874) 6.942 3.492 ( 2.902 2.271 -4.447) 5.775 3.743 ( -18.465 -1.161 -16.072) 24.507 3.926 ( 14.353 -0.991 20.136) 24.748 4.179 ( -13.156 4.303 20.378) 24.634 4.608 ( -1.891 4.296 -0.315) 4.704 4.876 ( 1.016 8.322 3.243) 8.989 4.976 ( 1.391 -1.289 10.242) 10.416 5.249 ( -4.264 13.063 -3.680) 14.226 5.436 ( 1.084 -5.170 1.623) 5.526 5.604 ( 5.142 6.316 -18.217) 19.955 5.681 ( 7.581 0.814 -7.951) 11.016 6.278 ( -11.439 -6.251 -7.138) 14.862 6.591 ( 9.815 3.853 4.428) 11.436 6.744 ( -10.347 -1.984 2.827) 10.908 7.065 ( 3.451 4.972 2.428) 6.521 7.126 ( -5.748 -3.337 1.406) 6.793 7.248 ( -3.464 -8.336 -4.543) 10.105 7.635 ( 1.032 4.872 3.728) 6.220 7.831 ( 4.991 -8.037 -2.622) 9.817 7.891 ( 0.847 0.514 -0.758) 1.247 8.057 ( 7.816 -8.865 0.142) 11.819 8.863 ( -8.901 0.282 28.669) 30.020 9.604 ( 2.897 2.301 -14.103) 14.580 10.119 ( -0.293 3.469 -0.094) 3.483 10.199 ( -0.428 2.617 -8.824) 9.214 12.137 ( -8.995 -1.390 -1.607) 9.242 12.196 ( -14.404 -0.478 2.697) 14.662 12.423 ( 8.522 -3.066 -2.681) 9.445 12.718 ( 18.559 -0.255 2.515) 18.731 14.080 ( -10.856 2.447 3.558) 11.684 14.263 ( -0.257 -1.952 -0.351) 2.000 14.307 ( -0.763 -1.021 -3.300) 3.537 14.673 ( 13.658 1.321 -9.522) 16.702 15.424 ( -14.656 2.154 1.758) 14.917 15.859 ( 11.061 0.753 -0.190) 11.088 20.521 ( -9.672 -1.317 18.088) 20.553 21.278 ( 9.814 0.598 -12.654) 16.025 21.606 ( 1.336 4.851 5.258) 7.278 21.716 ( -1.087 1.041 -8.396) 8.530 22.543 ( -2.199 0.362 -0.039) 2.229 22.682 ( 2.395 0.171 -7.686) 8.053 24.266 ( -11.205 1.461 -4.129) 12.031 24.451 ( 9.312 -3.299 5.908) 11.511 25.317 ( -5.839 0.967 1.666) 6.148 25.439 ( 3.544 -1.600 2.747) 4.761 ======================= Grid point 369 (184/227) ======================= q-point: (-0.30 0.50 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -4.157 -0.211 2.582) 4.898 2.362 ( 0.656 -0.903 1.272) 1.692 3.125 ( -9.493 -1.691 -3.159) 10.147 3.241 ( -12.848 4.043 -8.422) 15.886 3.578 ( -4.908 -3.031 -6.940) 9.025 3.964 ( -19.934 6.343 23.098) 31.163 4.232 ( 5.834 13.149 3.119) 14.720 4.588 ( 7.419 3.198 8.880) 12.005 4.697 ( -8.929 8.637 4.110) 13.085 5.022 ( 0.442 7.755 -3.679) 8.595 5.217 ( 15.386 3.524 12.606) 20.201 5.484 ( 5.071 5.349 -8.910) 11.563 5.540 ( 0.291 -5.668 -1.170) 5.794 5.794 ( 11.198 1.472 -1.982) 11.467 6.104 ( -10.827 -1.713 -9.906) 14.775 6.484 ( -11.384 0.718 -2.749) 11.733 6.707 ( -8.913 -2.413 -1.234) 9.316 7.018 ( -6.173 -4.887 -3.488) 8.611 7.095 ( 0.053 -5.356 -3.837) 6.589 7.325 ( 5.487 1.189 1.838) 5.907 7.620 ( -2.496 -2.630 3.706) 5.185 7.952 ( 3.707 -0.689 4.879) 6.166 8.036 ( 12.225 -3.781 4.129) 13.446 8.289 ( 5.035 -7.779 4.108) 10.136 8.935 ( -6.572 -2.061 24.213) 25.174 9.487 ( 1.764 2.479 -19.922) 20.153 10.016 ( -4.230 6.594 -4.348) 8.960 10.099 ( -1.236 4.396 -5.320) 7.011 11.960 ( -13.982 0.239 -1.446) 14.059 12.006 ( -8.855 -2.127 -2.525) 9.450 12.652 ( 11.299 -7.114 2.313) 13.551 13.007 ( 17.291 0.025 1.783) 17.383 13.910 ( -11.834 1.993 3.316) 12.450 14.270 ( 0.557 0.421 -1.529) 1.681 14.315 ( 0.750 -2.778 -0.604) 2.940 14.766 ( 10.416 2.371 -9.755) 14.466 15.204 ( -12.802 3.238 4.551) 13.968 15.998 ( 9.489 1.216 -1.058) 9.625 20.526 ( -8.896 -2.762 16.586) 19.023 21.321 ( 8.199 1.561 -10.941) 13.761 21.471 ( -3.713 8.864 -4.180) 10.480 21.746 ( 5.153 0.111 -0.189) 5.158 22.496 ( -5.057 -2.101 -1.495) 5.677 22.642 ( 1.171 1.881 -7.754) 8.064 24.066 ( -8.825 4.132 -0.329) 9.750 24.670 ( 8.082 -5.175 4.289) 10.511 25.220 ( -6.330 2.064 1.414) 6.807 25.533 ( 3.109 -3.529 2.136) 5.166 ======================= Grid point 370 (185/227) ======================= q-point: (-0.20 -0.50 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -1.083 -1.681 1.545) 2.527 2.382 ( -0.690 -1.002 1.316) 1.792 2.806 ( -14.313 8.566 -11.725) 20.389 3.112 ( -10.419 -3.375 3.032) 11.364 3.449 ( -6.797 0.053 -8.413) 10.815 3.710 ( -14.584 13.445 16.063) 25.524 4.041 ( -6.911 12.907 2.574) 14.866 4.536 ( -7.696 3.191 7.765) 11.389 4.768 ( 7.815 1.462 5.297) 9.554 5.028 ( 5.498 -0.439 -3.697) 6.640 5.400 ( 5.881 6.062 -6.411) 10.603 5.535 ( 14.491 5.032 9.785) 18.195 5.674 ( 5.886 -8.234 5.186) 11.373 5.825 ( -8.817 -2.417 -9.097) 12.897 5.958 ( 4.642 3.932 1.761) 6.333 6.246 ( -14.456 1.559 -2.738) 14.796 6.619 ( -3.941 -6.001 -2.616) 7.641 7.016 ( -2.987 -12.136 -6.246) 13.972 7.167 ( 3.833 -2.488 -0.045) 4.570 7.296 ( -0.571 6.860 -3.373) 7.666 7.670 ( -2.291 -2.191 5.075) 5.984 8.046 ( 3.487 2.364 9.837) 10.701 8.289 ( 8.269 -4.398 6.682) 11.505 8.390 ( -0.488 1.087 4.635) 4.785 9.046 ( -2.930 -4.262 16.112) 16.922 9.360 ( 2.112 -1.828 -22.042) 22.218 9.804 ( -7.210 5.543 -8.799) 12.655 9.992 ( -1.201 5.606 -3.900) 6.934 11.788 ( -8.748 0.077 0.459) 8.760 11.903 ( -5.703 -1.411 -0.762) 5.924 12.920 ( 9.928 -9.899 1.526) 14.102 13.235 ( 13.219 1.107 -0.221) 13.267 13.736 ( -11.661 1.548 3.120) 12.170 14.242 ( 0.693 3.695 -3.772) 5.325 14.370 ( 1.622 -3.223 1.016) 3.749 14.791 ( 4.223 1.535 -7.322) 8.591 15.072 ( -5.645 2.184 7.455) 9.603 16.093 ( 7.220 1.716 -2.876) 7.959 20.548 ( -7.840 -4.159 15.009) 17.436 21.263 ( -3.499 7.406 -2.358) 8.524 21.377 ( 7.920 3.752 -8.926) 12.510 21.821 ( 5.535 0.023 -1.595) 5.760 22.408 ( -10.018 -5.637 -5.002) 12.536 22.574 ( 1.280 3.469 -7.858) 8.685 23.931 ( -2.447 7.239 5.800) 9.593 24.831 ( 3.381 -4.608 -1.567) 5.926 25.115 ( -5.552 1.971 2.733) 6.494 25.641 ( 2.802 -4.797 2.612) 6.139 ======================= Grid point 371 (186/227) ======================= q-point: (-0.10 -0.50 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 2.621 -1.744 1.638) 3.549 2.365 ( -7.201 1.329 1.500) 7.474 2.431 ( -7.436 9.363 -6.415) 13.568 2.979 ( -11.654 -1.864 -0.060) 11.802 3.291 ( -3.843 0.421 -13.685) 14.220 3.562 ( -6.307 4.809 19.072) 20.656 3.846 ( -7.475 5.736 3.094) 9.917 4.459 ( -8.281 -0.428 7.341) 11.075 4.883 ( 5.780 -0.738 1.727) 6.078 5.080 ( 3.130 -2.431 -6.340) 7.477 5.316 ( -0.195 4.774 -6.879) 8.376 5.573 ( -9.184 -0.201 -5.436) 10.674 5.809 ( 2.578 3.997 4.681) 6.674 5.832 ( 8.870 2.024 6.482) 11.171 6.006 ( -4.682 -7.650 -1.396) 9.077 6.204 ( 10.049 -3.673 11.264) 15.535 6.684 ( 8.038 0.742 0.272) 8.077 7.058 ( -1.979 -4.581 -6.191) 7.952 7.144 ( -7.638 -4.123 -3.736) 9.450 7.284 ( 6.822 0.506 -0.231) 6.845 7.621 ( -6.785 3.228 3.600) 8.331 8.089 ( -1.963 6.225 5.446) 8.501 8.344 ( -1.606 7.317 6.880) 10.171 8.434 ( 1.952 -1.457 5.355) 5.883 9.126 ( -3.601 -2.755 7.446) 8.718 9.300 ( 1.606 -6.258 -18.586) 19.677 9.640 ( -1.968 -1.990 -7.950) 8.428 9.891 ( 0.154 5.630 -4.304) 7.088 11.693 ( -5.128 -0.802 -0.077) 5.191 11.873 ( -0.292 -0.365 2.387) 2.432 13.171 ( 6.807 -10.123 -0.079) 12.199 13.356 ( 7.228 3.841 -1.960) 8.416 13.594 ( -8.996 -0.399 5.481) 10.541 14.145 ( 0.234 7.411 -7.608) 10.623 14.443 ( 2.146 -2.973 1.585) 3.995 14.785 ( 0.354 -0.280 -0.831) 0.945 15.079 ( 0.584 -0.522 5.655) 5.709 16.131 ( 4.320 2.261 -4.506) 6.639 20.593 ( -6.515 -5.034 13.509) 15.820 21.134 ( -2.228 4.873 -0.707) 5.405 21.403 ( 7.754 4.792 -4.833) 10.317 21.872 ( 3.264 0.829 -3.081) 4.564 22.264 ( -12.033 -8.197 -9.237) 17.242 22.507 ( 1.742 2.834 -7.259) 7.985 23.931 ( 5.553 7.132 11.216) 14.405 24.803 ( -5.083 0.027 -8.509) 9.912 25.093 ( -1.167 -1.632 4.530) 4.954 25.747 ( 1.835 -3.672 3.314) 5.276 ======================= Grid point 378 (187/227) ======================= q-point: (-0.40 -0.40 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -4.722 0.000 1.786) 5.049 2.353 ( 0.733 -0.000 1.146) 1.360 3.068 ( -9.579 0.000 -1.401) 9.681 3.325 ( -17.138 0.000 -14.566) 22.492 3.509 ( 0.177 -0.000 -7.270) 7.272 4.029 ( -20.564 0.000 31.732) 37.812 4.438 ( 18.956 -0.000 11.943) 22.404 4.581 ( -0.563 0.000 -3.546) 3.591 4.814 ( -11.499 0.000 6.105) 13.019 5.156 ( -7.391 0.000 -1.262) 7.498 5.275 ( 13.383 -0.000 9.224) 16.254 5.431 ( 0.068 -0.000 8.487) 8.487 5.666 ( 9.860 -0.000 -21.149) 23.334 5.693 ( 3.653 -0.000 -8.841) 9.566 6.078 ( -2.629 0.000 -4.551) 5.256 6.504 ( -16.313 0.000 1.563) 16.388 6.650 ( -15.127 0.000 -2.496) 15.331 6.972 ( -11.798 0.000 -6.632) 13.534 7.028 ( 3.452 -0.000 -3.234) 4.731 7.301 ( 11.523 -0.000 7.986) 14.019 7.683 ( 1.370 -0.000 -4.323) 4.534 7.914 ( 9.361 -0.000 3.059) 9.848 8.011 ( 11.134 -0.000 3.513) 11.675 8.144 ( 7.229 -0.000 7.468) 10.394 8.917 ( -10.206 0.000 28.620) 30.385 9.523 ( 0.736 -0.000 -20.243) 20.256 10.103 ( -3.552 0.000 -4.230) 5.523 10.147 ( -1.628 0.000 -5.763) 5.989 11.964 ( -13.739 0.000 -1.240) 13.795 11.979 ( -8.293 0.000 -3.503) 9.002 12.567 ( 10.764 -0.000 2.670) 11.090 13.007 ( 17.393 -0.000 2.151) 17.526 13.930 ( -12.791 0.000 2.097) 12.962 14.262 ( 0.188 -0.000 1.945) 1.954 14.292 ( 1.464 -0.000 -1.670) 2.221 14.797 ( 11.245 -0.000 -11.383) 16.000 15.242 ( -13.279 0.000 3.593) 13.756 16.009 ( 8.548 -0.000 0.114) 8.549 20.495 ( -9.070 0.000 16.864) 19.148 21.336 ( 9.455 -0.000 -12.851) 15.954 21.598 ( -2.944 0.000 -10.722) 11.119 21.730 ( 2.121 -0.000 7.113) 7.423 22.466 ( -6.924 0.000 -2.926) 7.517 22.663 ( 1.321 -0.000 -6.003) 6.146 24.123 ( -6.047 0.000 -1.240) 6.173 24.606 ( 7.625 -0.000 5.946) 9.669 25.250 ( -5.327 0.000 1.081) 5.435 25.485 ( 1.859 -0.000 2.050) 2.767 ======================= Grid point 379 (188/227) ======================= q-point: (-0.30 -0.40 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -4.165 -1.529 0.566) 4.473 2.367 ( 0.057 -0.192 1.141) 1.159 2.901 ( -11.107 -0.555 -7.425) 13.372 3.045 ( -11.072 0.569 -2.184) 11.300 3.415 ( -6.597 -1.962 -11.535) 13.432 3.897 ( -23.079 4.086 31.412) 39.193 4.440 ( -0.785 16.958 -0.689) 16.990 4.624 ( -10.602 2.666 4.830) 11.951 4.742 ( 1.895 -4.907 3.345) 6.234 5.069 ( -1.739 3.048 4.326) 5.571 5.492 ( -0.964 -3.965 2.571) 4.822 5.548 ( 8.619 4.369 -12.075) 15.466 5.601 ( 14.637 1.142 10.259) 17.911 5.717 ( -1.052 -5.524 -15.037) 16.054 6.079 ( 2.007 5.885 3.351) 7.063 6.260 ( -15.601 1.039 -1.160) 15.679 6.429 ( -9.394 -11.498 -2.831) 15.115 6.793 ( -7.643 -4.104 -6.580) 10.888 7.111 ( 6.980 -1.880 -2.499) 7.648 7.478 ( 4.087 4.078 2.985) 6.500 7.659 ( 3.130 2.808 -1.550) 4.482 8.083 ( 10.300 0.608 3.478) 10.888 8.229 ( 11.280 -0.413 6.971) 13.267 8.327 ( 3.236 -4.966 12.182) 13.547 8.971 ( -7.793 -1.866 23.799) 25.112 9.365 ( -0.117 0.957 -23.662) 23.682 9.931 ( -9.113 4.287 -10.842) 14.797 10.074 ( -2.306 1.477 -4.763) 5.494 11.806 ( -7.222 1.583 1.559) 7.556 11.867 ( -4.929 -2.048 -1.267) 5.485 12.754 ( 8.992 -4.118 1.919) 10.075 13.245 ( 13.640 0.050 -0.103) 13.641 13.750 ( -12.739 0.043 1.325) 12.808 14.275 ( -0.727 -0.029 1.546) 1.709 14.324 ( 2.797 -0.689 0.696) 2.963 14.835 ( 6.157 1.486 -13.151) 14.597 15.111 ( -7.843 0.998 7.549) 10.932 16.111 ( 5.699 0.226 -1.035) 5.796 20.486 ( -8.282 -1.405 15.821) 17.913 21.374 ( 4.976 1.736 -7.859) 9.463 21.468 ( 1.697 4.100 -12.616) 13.374 21.801 ( 0.920 -1.516 4.720) 5.042 22.306 ( -12.342 -2.494 -5.582) 13.774 22.636 ( 0.921 1.552 -4.406) 4.761 24.070 ( 0.729 3.927 3.480) 5.298 24.738 ( 3.891 -2.713 1.709) 5.042 25.174 ( -4.455 2.327 1.895) 5.371 25.536 ( 1.077 -3.527 1.651) 4.041 ======================= Grid point 380 (189/227) ======================= q-point: (-0.20 -0.40 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -1.847 -5.456 2.261) 6.188 2.371 ( -1.356 0.468 2.195) 2.622 2.652 ( -9.856 7.728 -6.325) 14.032 2.895 ( -12.869 -2.656 0.628) 13.156 3.218 ( -10.465 -4.511 -14.464) 18.414 3.709 ( -20.385 6.248 28.032) 35.219 4.166 ( -7.515 18.281 4.740) 20.326 4.506 ( -6.657 4.909 5.766) 10.083 4.810 ( -4.207 -7.139 0.492) 8.301 5.008 ( -4.611 -3.076 -1.492) 5.741 5.455 ( 1.868 2.143 -11.188) 11.543 5.520 ( -5.638 3.554 -7.772) 10.238 5.677 ( -0.335 -9.442 -3.081) 9.937 5.884 ( 11.051 1.440 5.414) 12.390 6.033 ( 1.298 3.697 7.340) 8.320 6.155 ( 2.165 -0.411 6.323) 6.696 6.588 ( 6.106 -13.420 0.943) 14.774 6.756 ( -0.011 -6.965 -6.160) 9.298 7.209 ( 4.303 -0.521 -2.741) 5.129 7.391 ( -0.556 8.620 -2.416) 8.969 7.665 ( -1.330 0.950 -0.105) 1.638 8.227 ( 8.088 4.800 4.251) 10.321 8.360 ( -2.431 0.243 12.542) 12.778 8.510 ( 5.883 2.371 9.631) 11.532 9.051 ( -4.485 -3.869 14.309) 15.487 9.204 ( 1.690 -1.606 -23.985) 24.098 9.649 ( -9.935 2.311 -11.875) 15.654 9.984 ( -2.212 2.206 -5.224) 6.087 11.714 ( -2.964 2.761 0.684) 4.108 11.874 ( 1.226 -0.729 4.456) 4.679 12.949 ( 6.856 -8.239 0.514) 10.731 13.403 ( 9.108 0.592 -2.418) 9.442 13.579 ( -11.760 -0.829 1.860) 11.935 14.245 ( -2.239 1.694 -2.289) 3.623 14.393 ( 3.405 -1.231 2.206) 4.240 14.794 ( 1.710 1.132 -7.421) 7.699 15.088 ( -1.782 0.789 7.024) 7.289 16.156 ( 2.765 0.332 -3.234) 4.268 20.501 ( -7.051 -2.891 14.941) 16.773 21.271 ( -3.874 6.526 -2.385) 7.955 21.468 ( 10.463 1.312 -12.092) 16.044 21.861 ( 0.934 -2.898 1.557) 3.420 22.090 ( -16.135 -4.703 -6.954) 18.188 22.596 ( 1.542 3.679 -3.509) 5.313 24.100 ( 6.082 6.804 7.707) 11.945 24.772 ( -2.003 -2.428 -6.924) 7.606 25.109 ( -2.611 2.949 5.019) 6.380 25.624 ( 1.331 -6.565 2.194) 7.049 ======================= Grid point 381 (190/227) ======================= q-point: (-0.10 -0.40 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -7.471 -8.182 2.918) 11.457 2.310 ( -3.110 6.616 2.749) 7.810 2.403 ( -5.792 5.666 -4.237) 9.143 2.742 ( -10.654 -4.152 0.269) 11.437 3.066 ( -7.224 -7.625 -10.692) 14.988 3.604 ( -11.665 0.186 23.386) 26.134 3.917 ( -7.905 14.232 8.972) 18.588 4.355 ( -11.237 0.244 2.559) 11.527 4.846 ( -5.482 -10.942 2.404) 12.472 4.959 ( -8.897 -5.988 -1.243) 10.796 5.337 ( 2.495 7.168 -12.681) 14.779 5.455 ( 5.557 3.063 -0.391) 6.357 5.708 ( -6.668 -12.884 -5.378) 15.472 5.975 ( 5.010 6.290 6.887) 10.587 6.137 ( 9.975 5.126 3.665) 11.798 6.387 ( 12.238 -5.688 8.941) 16.189 6.760 ( -4.101 -15.914 -2.801) 16.671 6.892 ( 12.303 0.365 2.382) 12.537 7.073 ( -9.323 6.836 -6.758) 13.392 7.403 ( 6.363 1.074 -2.386) 6.880 7.607 ( -1.441 2.469 1.222) 3.109 8.193 ( -0.317 14.117 -4.759) 14.901 8.382 ( -5.481 -0.175 13.852) 14.898 8.541 ( 0.006 4.723 7.838) 9.151 9.035 ( -4.533 -1.662 -11.208) 12.203 9.183 ( 0.814 -3.829 0.261) 3.924 9.531 ( 0.528 -6.128 -5.661) 8.360 9.896 ( -0.676 2.087 -6.570) 6.926 11.673 ( 1.426 3.198 0.913) 3.618 11.944 ( 4.485 2.214 4.265) 6.574 13.132 ( 3.229 -9.150 -1.122) 9.768 13.414 ( -4.730 0.741 -0.458) 4.810 13.520 ( 0.217 -2.049 2.802) 3.478 14.146 ( -1.487 3.523 -7.837) 8.720 14.472 ( 3.134 -1.140 1.900) 3.838 14.786 ( 1.459 -0.641 -1.245) 2.022 15.111 ( -0.785 -0.222 5.269) 5.332 16.140 ( -0.497 0.404 -5.283) 5.322 20.548 ( -5.457 -4.044 14.016) 15.575 21.141 ( -3.148 4.574 -0.874) 5.621 21.530 ( 8.741 2.713 -7.106) 11.587 21.856 ( -12.040 -1.943 -4.630) 13.045 21.916 ( -3.062 -8.188 -2.557) 9.108 22.561 ( 3.832 5.171 -3.045) 7.120 24.198 ( 8.794 6.421 9.327) 14.337 24.645 ( -6.452 0.101 -11.702) 13.363 25.103 ( -1.130 0.463 5.307) 5.446 25.736 ( 1.103 -6.107 2.596) 6.726 ======================= Grid point 389 (191/227) ======================= q-point: (-0.30 -0.30 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -6.101 0.000 2.827) 6.724 2.381 ( 0.598 -0.000 1.717) 1.818 2.719 ( -7.725 0.000 -3.441) 8.456 2.907 ( -8.098 0.000 0.956) 8.154 3.146 ( -15.416 0.000 -16.086) 22.280 3.788 ( -25.649 0.000 34.344) 42.865 4.508 ( -7.774 0.000 -2.912) 8.302 4.563 ( -14.203 0.000 9.302) 16.978 4.624 ( 0.458 -0.000 0.963) 1.067 4.967 ( -15.173 0.000 -1.792) 15.279 5.457 ( 0.145 -0.000 -1.164) 1.173 5.504 ( -1.361 0.000 -9.176) 9.276 5.689 ( 9.297 -0.000 -18.268) 20.498 5.908 ( 14.929 -0.000 7.219) 16.583 6.069 ( -10.282 0.000 6.084) 11.947 6.152 ( -0.362 0.000 2.301) 2.330 6.329 ( 5.064 -0.000 7.844) 9.336 6.718 ( 6.985 -0.000 -5.362) 8.806 7.189 ( 7.192 -0.000 -3.593) 8.039 7.503 ( -5.698 0.000 -0.727) 5.744 7.677 ( 0.427 -0.000 -3.790) 3.814 8.264 ( 10.952 -0.000 -2.474) 11.228 8.408 ( -2.796 0.000 20.883) 21.069 8.506 ( 14.666 -0.000 10.762) 18.191 8.998 ( -6.628 0.000 18.304) 19.467 9.197 ( 0.235 -0.000 -25.212) 25.213 9.690 ( -13.308 0.000 -15.312) 20.287 10.000 ( -3.573 0.000 -5.400) 6.475 11.783 ( -0.712 0.000 -2.075) 2.194 11.832 ( 1.493 -0.000 9.299) 9.418 12.851 ( 6.094 -0.000 0.509) 6.116 13.405 ( 9.250 -0.000 -2.749) 9.650 13.568 ( -12.313 0.000 0.488) 12.323 14.255 ( -3.628 0.000 1.340) 3.868 14.383 ( 4.104 -0.000 1.808) 4.484 14.812 ( 2.269 -0.000 -11.092) 11.322 15.099 ( -2.363 0.000 7.349) 7.719 16.158 ( 2.077 -0.000 -2.364) 3.147 20.469 ( -7.498 0.000 15.617) 17.324 21.364 ( -2.699 0.000 -4.055) 4.871 21.481 ( 11.385 -0.000 -16.893) 20.371 21.792 ( -6.321 0.000 4.959) 8.034 22.055 ( -12.234 0.000 -5.480) 13.405 22.641 ( 1.042 -0.000 -1.017) 1.455 24.185 ( 6.624 -0.000 5.553) 8.644 24.735 ( -1.118 0.000 -4.929) 5.054 25.167 ( -1.860 0.000 4.878) 5.221 25.525 ( -0.287 0.000 1.089) 1.126 ======================= Grid point 390 (192/227) ======================= q-point: (-0.20 -0.30 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -12.199 -6.314 6.361) 15.138 2.400 ( 0.765 1.877 2.945) 3.575 2.606 ( -7.159 8.190 -2.299) 11.119 2.698 ( -13.679 1.585 -3.949) 14.325 2.890 ( -9.192 -8.248 -5.391) 13.475 3.624 ( -24.408 1.048 31.060) 39.517 4.209 ( -14.602 10.983 4.676) 18.860 4.424 ( -20.284 -2.162 -6.391) 21.377 4.608 ( -1.969 -1.249 9.025) 9.321 4.813 ( -10.843 -7.999 2.419) 13.690 5.411 ( -3.725 -3.162 -9.408) 10.601 5.515 ( 8.657 1.007 -0.596) 8.736 5.626 ( 6.628 8.570 -14.231) 17.885 6.077 ( 7.009 3.594 9.524) 12.359 6.133 ( 2.400 -7.126 -5.210) 9.148 6.243 ( 8.063 -6.521 7.123) 12.581 6.524 ( 8.409 -2.305 9.124) 12.620 6.882 ( 14.761 -0.464 -0.043) 14.768 7.190 ( -7.837 2.368 -5.793) 10.029 7.395 ( 1.320 -0.278 -4.304) 4.510 7.633 ( -2.407 0.031 -4.289) 4.918 8.359 ( 4.782 0.786 -3.232) 5.825 8.474 ( -5.220 5.496 23.934) 25.106 8.670 ( -0.135 6.213 1.027) 6.298 9.000 ( -6.023 -2.019 -1.630) 6.559 9.113 ( 9.677 -1.676 -11.597) 15.197 9.426 ( -9.572 -2.824 -5.264) 11.284 9.909 ( -3.173 -0.339 -6.086) 6.872 11.777 ( 4.518 4.650 0.602) 6.511 11.975 ( 6.490 -0.128 9.312) 11.352 12.949 ( 3.516 -5.263 -0.536) 6.352 13.401 ( -10.667 -0.706 0.789) 10.719 13.491 ( 4.834 -1.062 -4.015) 6.373 14.180 ( -5.550 0.322 -2.487) 6.090 14.461 ( 4.218 -0.085 2.128) 4.725 14.782 ( 2.125 0.156 -5.902) 6.275 15.118 ( -1.512 0.348 6.091) 6.286 16.139 ( -1.416 -0.167 -4.851) 5.056 20.482 ( -6.366 -1.608 15.667) 16.988 21.262 ( -3.126 4.885 -3.635) 6.845 21.552 ( 11.464 0.016 -13.355) 17.600 21.663 ( -16.190 -7.352 -2.136) 17.910 21.924 ( -3.149 1.494 1.156) 3.672 22.654 ( 2.523 2.492 1.752) 3.955 24.324 ( 8.684 3.660 6.672) 11.546 24.633 ( -5.161 -0.814 -12.281) 13.346 25.165 ( -1.052 4.080 6.852) 8.044 25.568 ( -0.059 -6.928 1.478) 7.084 ======================= Grid point 391 (193/227) ======================= q-point: (-0.10 -0.30 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -19.464 -10.529 5.809) 22.879 2.210 ( -19.550 0.804 -7.632) 21.002 2.407 ( 1.299 4.913 4.773) 6.972 2.678 ( -1.242 -1.133 7.200) 7.394 2.862 ( -3.108 -3.901 0.132) 4.990 3.528 ( -17.838 -5.592 25.358) 31.504 3.941 ( -13.211 5.600 6.680) 15.828 4.136 ( -14.988 -3.599 -0.047) 15.414 4.655 ( -5.317 -4.559 5.293) 8.779 4.807 ( -5.120 -7.704 6.895) 11.537 5.295 ( -3.612 0.242 -9.576) 10.237 5.566 ( 5.155 3.537 -8.660) 10.681 5.698 ( 15.453 3.116 1.771) 15.863 6.086 ( -4.188 -2.832 -6.128) 7.944 6.271 ( 10.761 2.495 4.916) 12.091 6.540 ( 10.389 -6.486 3.434) 12.720 6.713 ( 7.174 0.530 9.113) 11.610 6.873 ( -16.381 4.471 -9.810) 19.610 7.102 ( 12.725 -0.355 2.625) 12.998 7.461 ( 4.492 -0.322 -4.318) 6.239 7.583 ( -0.436 -5.343 -3.632) 6.475 8.292 ( -1.711 16.206 -14.674) 21.929 8.383 ( -5.707 0.487 6.688) 8.806 8.613 ( -5.427 1.599 17.654) 18.539 8.840 ( -6.926 -1.871 -12.845) 14.713 9.228 ( 1.063 1.316 10.173) 10.313 9.474 ( 7.552 -8.262 -1.987) 11.368 9.836 ( -1.446 -0.512 -6.974) 7.141 11.821 ( 8.861 6.841 1.917) 11.358 12.098 ( 6.508 4.934 3.845) 9.026 13.053 ( -0.082 -7.168 -1.065) 7.247 13.299 ( -7.361 -3.719 3.547) 8.977 13.527 ( 0.838 -1.760 -2.072) 2.845 14.073 ( -2.859 -0.746 -8.179) 8.696 14.527 ( 3.183 0.371 0.953) 3.343 14.794 ( 2.325 -1.139 -1.746) 3.123 15.121 ( -2.665 0.376 4.597) 5.327 16.052 ( -5.497 -0.715 -7.078) 8.990 20.534 ( -4.708 -3.123 15.573) 16.566 21.131 ( -4.432 4.683 -1.124) 6.545 21.475 ( -10.990 -6.026 -8.819) 15.325 21.664 ( 7.292 -3.474 -4.930) 9.463 21.887 ( -2.887 1.341 2.552) 4.080 22.692 ( 6.219 4.925 2.928) 8.457 24.368 ( -2.350 4.322 -9.643) 10.825 24.527 ( 3.906 0.023 0.845) 3.997 25.149 ( -0.940 3.632 6.269) 7.306 25.676 ( 0.091 -8.710 1.743) 8.883 ======================= Grid point 400 (194/227) ======================= q-point: (-0.20 -0.20 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -21.926 0.000 10.936) 24.502 2.231 ( -28.414 0.000 -9.714) 30.028 2.475 ( 1.046 -0.000 3.709) 3.854 2.662 ( -2.714 0.000 4.267) 5.057 2.825 ( 2.489 -0.000 7.049) 7.476 3.455 ( -24.600 0.000 27.893) 37.191 3.988 ( -20.807 0.000 2.957) 21.016 4.105 ( -15.768 0.000 -3.997) 16.267 4.652 ( -6.118 0.000 8.273) 10.290 4.666 ( -3.355 0.000 10.896) 11.401 5.291 ( -1.758 0.000 -5.853) 6.111 5.674 ( 7.408 -0.000 -14.612) 16.382 5.754 ( 16.794 -0.000 0.097) 16.795 5.958 ( -4.410 0.000 -9.619) 10.582 6.329 ( 12.666 -0.000 10.663) 16.557 6.429 ( 13.429 -0.000 4.097) 14.040 6.757 ( 10.731 -0.000 12.016) 16.110 6.932 ( -18.951 0.000 -9.420) 21.163 7.095 ( 13.086 -0.000 0.716) 13.105 7.417 ( 6.245 -0.000 -6.748) 9.194 7.528 ( -6.050 0.000 -6.497) 8.878 8.374 ( -0.553 0.000 -2.874) 2.927 8.572 ( -7.446 0.000 -17.147) 18.694 8.604 ( -5.968 0.000 26.264) 26.934 8.801 ( -10.306 0.000 -11.000) 15.074 9.300 ( 18.435 -0.000 -2.994) 18.676 9.311 ( -6.395 0.000 13.058) 14.540 9.824 ( -2.106 0.000 -5.604) 5.987 11.924 ( 10.407 -0.000 0.484) 10.418 12.163 ( 8.695 -0.000 8.134) 11.907 12.945 ( 1.158 -0.000 0.113) 1.163 13.256 ( -9.055 0.000 2.547) 9.407 13.493 ( 1.142 -0.000 -5.992) 6.099 14.061 ( -7.035 0.000 -4.836) 8.537 14.533 ( 3.597 -0.000 1.368) 3.848 14.782 ( 2.452 -0.000 -3.967) 4.664 15.129 ( -2.762 0.000 5.237) 5.921 16.042 ( -5.965 0.000 -7.545) 9.618 20.496 ( -5.427 0.000 16.843) 17.696 21.234 ( -1.217 0.000 -5.075) 5.219 21.344 ( -17.263 0.000 -1.266) 17.309 21.629 ( 9.926 -0.000 -11.407) 15.121 21.913 ( -2.323 0.000 3.357) 4.083 22.752 ( 5.304 -0.000 5.636) 7.739 24.433 ( -6.987 0.000 -16.909) 18.295 24.519 ( 8.558 -0.000 5.921) 10.407 25.239 ( -0.249 0.000 7.836) 7.840 25.518 ( -0.921 0.000 1.184) 1.500 ======================= Grid point 401 (195/227) ======================= q-point: (-0.10 -0.20 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -22.405 -7.314 14.246) 27.540 1.814 ( -24.789 -6.097 3.950) 25.831 2.495 ( -0.494 3.001 4.071) 5.082 2.627 ( -5.383 -2.046 0.383) 5.772 2.894 ( -3.048 1.686 12.319) 12.802 3.335 ( -18.096 -4.378 20.641) 27.797 3.830 ( -10.476 -0.354 2.138) 10.698 3.893 ( -7.171 -6.933 5.832) 11.554 4.633 ( -4.418 1.285 8.593) 9.747 4.725 ( -3.954 -5.477 10.958) 12.873 5.244 ( 0.892 2.329 -2.711) 3.684 5.638 ( 4.770 2.387 -11.607) 12.774 5.837 ( -2.720 1.999 -7.754) 8.457 6.038 ( 15.143 -2.395 -0.193) 15.332 6.413 ( -13.909 1.981 -13.464) 19.459 6.592 ( 13.192 5.017 5.039) 14.986 6.722 ( 1.796 1.483 -2.923) 3.738 6.969 ( 9.216 2.154 10.675) 14.266 7.273 ( 8.566 -3.921 -0.181) 9.422 7.421 ( -2.147 -1.196 -1.217) 2.743 7.501 ( 6.667 -7.105 -6.184) 11.541 8.246 ( -10.534 7.985 -12.098) 17.919 8.337 ( 0.033 2.125 -6.908) 7.228 8.536 ( -9.114 -4.181 -8.466) 13.123 8.811 ( 0.107 0.853 28.336) 28.349 9.324 ( -3.700 2.197 15.564) 16.148 9.559 ( 13.289 -4.058 -1.917) 14.027 9.774 ( 0.479 -0.075 -5.762) 5.782 12.074 ( 13.180 5.857 0.578) 14.434 12.267 ( 4.925 5.039 -0.316) 7.053 12.990 ( -0.010 -2.006 2.432) 3.152 13.189 ( -5.535 -3.228 4.789) 7.999 13.456 ( -3.937 -3.539 -3.847) 6.544 13.938 ( -3.546 -3.637 -9.451) 10.729 14.578 ( 2.247 0.718 -0.121) 2.362 14.807 ( 3.019 -1.273 -1.805) 3.741 15.102 ( -4.610 0.658 3.472) 5.809 15.859 ( -11.611 -1.188 -8.980) 14.726 20.559 ( -3.493 -1.778 17.963) 18.385 21.079 ( -9.618 3.598 -0.115) 10.270 21.227 ( -4.140 -5.702 -5.383) 8.868 21.687 ( 4.992 -2.106 -8.250) 9.870 21.889 ( -2.958 2.211 4.441) 5.776 22.867 ( 6.950 2.695 1.939) 7.703 24.222 ( -2.867 1.583 -14.740) 15.099 24.667 ( 6.383 0.418 5.299) 8.307 25.245 ( 0.098 6.165 6.948) 9.290 25.577 ( -0.961 -8.994 1.649) 9.194 ======================= Grid point 411 (196/227) ======================= q-point: (-0.10 -0.10 0.38) 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -17.294 0.000 24.112) 29.673 1.542 ( -14.462 0.000 21.371) 25.805 2.506 ( -8.907 0.000 -0.169) 8.909 2.514 ( -2.047 0.000 4.677) 5.105 2.921 ( -4.276 0.000 14.397) 15.019 3.222 ( -11.035 0.000 10.437) 15.189 3.569 ( -18.627 0.000 1.954) 18.730 3.988 ( 10.155 -0.000 8.025) 12.943 4.619 ( -6.742 0.000 8.324) 10.712 4.695 ( -7.478 0.000 9.899) 12.406 5.295 ( 3.382 -0.000 2.335) 4.110 5.546 ( -7.227 0.000 -8.787) 11.377 5.834 ( 4.840 -0.000 -3.586) 6.024 6.071 ( -0.332 0.000 -19.939) 19.942 6.308 ( 8.098 -0.000 -0.889) 8.146 6.659 ( 1.213 -0.000 -11.738) 11.800 6.918 ( -6.206 0.000 -7.971) 10.102 6.969 ( 8.037 -0.000 8.332) 11.577 7.329 ( 2.293 -0.000 6.201) 6.611 7.485 ( 7.221 -0.000 -9.653) 12.055 7.570 ( 8.525 -0.000 9.288) 12.608 8.066 ( -8.451 0.000 -10.087) 13.159 8.333 ( 3.815 -0.000 -6.314) 7.378 8.347 ( -5.903 0.000 1.916) 6.206 9.103 ( 10.887 -0.000 25.929) 28.122 9.398 ( -1.368 0.000 16.945) 17.000 9.659 ( 2.715 -0.000 -0.137) 2.718 9.803 ( 9.343 -0.000 -6.891) 11.610 12.294 ( -0.070 0.000 -5.865) 5.865 12.324 ( 14.266 -0.000 0.015) 14.266 13.050 ( 1.835 -0.000 4.053) 4.449 13.148 ( -2.718 0.000 6.568) 7.108 13.285 ( -10.650 0.000 -4.713) 11.647 13.783 ( -2.810 0.000 -11.427) 11.768 14.609 ( 1.894 -0.000 -0.289) 1.916 14.840 ( 4.416 -0.000 -1.176) 4.570 15.043 ( -6.316 0.000 1.759) 6.557 15.574 ( -17.086 0.000 -7.362) 18.605 20.649 ( -0.805 0.000 20.848) 20.863 20.946 ( -8.996 0.000 1.556) 9.130 21.141 ( -0.411 0.000 -6.070) 6.084 21.657 ( -1.383 0.000 -4.665) 4.866 21.889 ( -3.133 0.000 4.429) 5.425 22.891 ( -1.297 0.000 -14.086) 14.145 24.235 ( 12.694 -0.000 -2.706) 12.979 24.770 ( 2.799 -0.000 3.723) 4.657 25.351 ( 1.086 -0.000 6.680) 6.768 25.510 ( -1.071 0.000 1.856) 2.143 ======================= Grid point 412 (197/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -1.226 0.000 -12.018) 12.080 1.964 ( 1.226 -0.000 12.018) 12.080 2.410 ( -6.425 0.000 -7.796) 10.102 2.410 ( 6.425 -0.000 7.796) 10.102 3.096 ( -11.733 0.000 -9.497) 15.095 3.096 ( 11.733 -0.000 9.497) 15.095 3.715 ( -4.833 0.000 -10.181) 11.270 3.715 ( 4.833 -0.000 10.181) 11.270 4.619 ( 7.418 -0.000 -6.374) 9.780 4.619 ( -7.418 0.000 6.374) 9.780 5.407 ( 3.563 -0.000 -1.270) 3.783 5.407 ( -3.563 0.000 1.270) 3.783 6.005 ( -9.020 0.000 -1.378) 9.125 6.005 ( 9.020 -0.000 1.378) 9.125 6.259 ( -1.356 0.000 -4.997) 5.178 6.259 ( 1.356 -0.000 4.997) 5.178 6.821 ( -16.448 0.000 3.614) 16.841 6.821 ( 16.448 -0.000 -3.614) 16.841 7.476 ( 8.283 -0.000 -7.062) 10.885 7.476 ( -8.283 0.000 7.062) 10.885 7.788 ( 1.578 -0.000 -5.338) 5.566 7.788 ( -1.578 0.000 5.338) 5.566 8.475 ( 12.735 -0.000 -8.752) 15.453 8.475 ( -12.735 0.000 8.752) 15.453 9.685 ( 7.737 -0.000 -14.754) 16.660 9.685 ( -7.737 0.000 14.754) 16.660 9.789 ( 5.232 -0.000 -6.500) 8.344 9.789 ( -5.232 0.000 6.500) 8.344 12.431 ( -11.302 0.000 -1.967) 11.471 12.431 ( 11.302 -0.000 1.967) 11.471 12.966 ( -6.602 0.000 1.742) 6.828 12.966 ( 6.602 -0.000 -1.742) 6.828 13.363 ( 0.700 -0.000 -10.769) 10.792 13.363 ( -0.700 0.000 10.769) 10.792 14.790 ( -6.774 0.000 -2.277) 7.147 14.790 ( 6.774 -0.000 2.277) 7.147 15.067 ( -9.493 0.000 -1.014) 9.548 15.067 ( 9.493 -0.000 1.014) 9.548 20.924 ( 1.251 -0.000 -5.475) 5.616 20.924 ( -1.251 0.000 5.475) 5.616 21.392 ( -10.239 0.000 -8.587) 13.363 21.392 ( 10.239 -0.000 8.587) 13.363 22.081 ( 4.673 -0.000 -19.970) 20.509 22.081 ( -4.673 0.000 19.970) 20.509 24.735 ( -10.677 0.000 0.289) 10.681 24.735 ( 10.677 -0.000 -0.289) 10.681 25.509 ( -1.491 0.000 -0.546) 1.588 25.509 ( 1.491 -0.000 0.546) 1.588 ======================= Grid point 414 (198/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -1.249 -12.710 -21.496) 25.004 2.054 ( 3.858 -8.484 -11.249) 14.609 2.382 ( 4.052 -0.114 1.984) 4.513 2.630 ( 4.213 -1.572 4.376) 6.275 2.832 ( -8.075 -3.102 2.191) 8.923 3.205 ( 0.546 -3.683 -2.290) 4.371 3.727 ( 11.934 -0.590 -10.415) 15.851 4.020 ( 14.231 -5.967 10.022) 18.401 4.622 ( 2.729 -1.940 6.699) 7.489 4.706 ( 7.808 -1.756 -4.987) 9.430 5.348 ( -0.729 3.829 0.664) 3.954 5.406 ( 1.250 3.967 -3.307) 5.314 5.746 ( -13.078 9.845 2.362) 16.539 5.994 ( -10.515 -2.541 -2.588) 11.123 6.216 ( 7.127 12.056 2.847) 14.291 6.405 ( 3.707 -4.917 2.007) 6.476 6.722 ( -8.429 -8.922 8.841) 15.126 7.072 ( 11.070 -5.900 -0.617) 12.559 7.353 ( -8.215 2.839 3.272) 9.287 7.504 ( 0.367 0.633 0.031) 0.732 7.800 ( 0.758 -2.582 -2.640) 3.770 7.826 ( 0.329 -1.021 -0.174) 1.087 8.317 ( -12.194 1.175 6.088) 13.680 8.534 ( 4.542 0.638 -10.111) 11.103 9.618 ( -5.792 5.156 -0.994) 7.818 9.656 ( -1.391 2.352 -3.933) 4.789 9.718 ( -6.088 -0.433 3.547) 7.059 9.767 ( 1.877 2.474 -8.074) 8.651 12.232 ( -11.038 2.650 0.429) 11.360 12.489 ( -7.793 -1.154 1.350) 7.993 12.932 ( 9.088 10.286 0.650) 13.741 13.056 ( 10.625 3.979 0.223) 11.348 13.377 ( 1.369 -9.743 -8.343) 12.900 13.515 ( 0.422 -11.567 11.244) 16.137 14.665 ( -4.819 2.887 -1.930) 5.940 14.860 ( 0.390 1.191 3.020) 3.270 15.000 ( 0.663 -1.325 -1.744) 2.288 15.283 ( 14.064 -5.504 0.257) 15.105 20.923 ( 1.259 -1.277 -2.428) 3.019 20.962 ( -1.076 -1.791 7.528) 7.813 21.181 ( -4.971 2.456 -13.507) 14.601 21.563 ( 8.955 1.386 0.816) 9.099 22.052 ( 4.282 -1.654 -13.986) 14.720 22.256 ( 3.599 -6.040 23.634) 24.657 24.505 ( -17.255 3.250 -1.803) 17.650 24.832 ( 4.369 0.390 -1.876) 4.771 25.439 ( -3.386 4.850 -1.496) 6.101 25.558 ( 3.224 -3.127 -0.408) 4.510 ======================= Grid point 415 (199/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.977 -15.376 -17.881) 23.603 2.099 ( 5.043 -6.540 -19.521) 21.196 2.491 ( -2.533 -0.314 2.352) 3.471 2.556 ( 4.714 -5.899 -3.286) 8.236 3.041 ( 7.005 -2.930 8.159) 11.145 3.276 ( 4.771 -8.009 -0.124) 9.323 3.890 ( 15.943 -3.199 -11.766) 20.071 4.225 ( -0.356 -10.004 -0.991) 10.060 4.717 ( 4.578 3.483 -5.096) 7.685 4.901 ( 10.234 -9.076 -0.294) 13.682 5.277 ( -3.261 6.924 -2.596) 8.082 5.402 ( 7.265 3.171 3.579) 8.698 5.580 ( 0.466 7.079 14.036) 15.727 5.811 ( -8.144 -0.284 -1.175) 8.233 6.214 ( 0.954 8.415 3.036) 8.997 6.442 ( -1.943 0.705 5.824) 6.180 6.798 ( -4.775 -6.186 2.961) 8.357 7.100 ( -5.649 3.640 0.461) 6.736 7.368 ( 1.221 -7.177 -1.002) 7.349 7.492 ( -4.270 -1.920 5.456) 7.190 7.754 ( -1.665 2.384 -8.051) 8.560 7.827 ( -2.097 -1.289 3.781) 4.512 8.229 ( -3.892 0.479 4.956) 6.320 8.504 ( -0.799 -2.573 -4.832) 5.533 9.422 ( -1.948 6.161 -15.858) 17.124 9.552 ( -9.023 3.651 7.044) 12.015 9.661 ( -0.287 1.182 -6.888) 6.995 9.724 ( 0.080 -0.185 -3.476) 3.482 12.061 ( -7.494 6.452 3.881) 10.623 12.309 ( -12.388 3.971 -0.216) 13.011 12.979 ( 8.235 3.545 -1.017) 9.023 13.194 ( 11.078 2.125 -1.121) 11.336 13.483 ( 3.425 -9.910 -4.641) 11.466 13.718 ( -2.389 -11.607 11.040) 16.196 14.575 ( -1.582 3.177 -0.620) 3.603 14.845 ( -3.921 -1.453 2.490) 4.867 15.051 ( 6.352 1.862 -0.802) 6.668 15.574 ( 14.403 -6.996 0.224) 16.014 20.942 ( -1.047 -2.891 -4.322) 5.304 21.026 ( 4.295 1.708 -8.247) 9.453 21.042 ( -2.060 -0.715 7.985) 8.278 21.656 ( 4.855 -1.169 -1.113) 5.117 22.039 ( 3.526 -2.216 -12.884) 13.540 22.572 ( 7.353 -4.405 19.404) 21.212 24.164 ( -17.355 6.127 -1.484) 18.464 24.842 ( -0.443 -0.542 -3.637) 3.703 25.313 ( -3.072 5.752 -1.952) 6.807 25.654 ( 3.343 -4.702 0.195) 5.772 ======================= Grid point 416 (200/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 2.964 -11.166 -13.257) 17.584 2.133 ( 4.467 -5.309 -7.639) 10.320 2.439 ( -2.650 1.721 0.692) 3.235 2.746 ( 7.325 -8.965 -1.885) 11.730 3.087 ( -0.410 0.090 -9.745) 9.755 3.518 ( 8.382 -7.661 8.195) 14.003 4.000 ( 3.456 0.899 -8.667) 9.374 4.378 ( 11.107 -12.158 -8.764) 18.655 4.667 ( 0.649 2.447 -4.051) 4.777 5.005 ( -2.925 -2.117 -3.680) 5.156 5.206 ( 0.770 -3.793 -1.871) 4.299 5.459 ( -3.425 -0.703 4.952) 6.062 5.640 ( 6.589 2.062 5.644) 8.918 6.021 ( 11.929 -0.958 12.952) 17.634 6.068 ( -0.164 4.396 4.455) 6.261 6.447 ( 3.163 10.821 3.674) 11.858 6.687 ( -12.472 -3.274 -1.606) 12.994 6.987 ( -3.860 2.337 -3.254) 5.564 7.378 ( -6.478 -0.742 4.022) 7.661 7.446 ( -3.611 3.651 -4.007) 6.514 7.720 ( -3.594 -8.185 -0.456) 8.950 7.819 ( -3.412 -0.770 3.174) 4.723 8.261 ( 2.921 -0.803 7.629) 8.208 8.521 ( 0.212 -1.873 1.697) 2.536 9.222 ( 1.375 5.821 -22.538) 23.318 9.427 ( -8.822 1.885 5.671) 10.655 9.602 ( 0.844 1.135 -6.600) 6.749 9.723 ( 0.043 -1.703 -0.215) 1.717 11.903 ( -7.991 6.008 1.931) 10.182 12.089 ( -7.107 7.207 0.754) 10.150 13.080 ( 6.435 -3.103 -1.942) 7.403 13.296 ( 6.346 1.584 -0.628) 6.570 13.611 ( 3.841 -7.522 -3.499) 9.142 13.839 ( -4.439 -6.679 9.216) 12.217 14.533 ( -0.005 2.508 0.556) 2.569 14.823 ( -3.121 -1.326 1.861) 3.868 15.117 ( 5.574 1.920 -0.165) 5.898 15.838 ( 10.699 -5.495 0.458) 12.037 20.866 ( -2.127 0.250 -8.018) 8.299 21.043 ( 4.578 1.275 -1.857) 5.102 21.159 ( 2.528 -3.892 10.171) 11.180 21.730 ( 2.379 -3.717 -0.828) 4.490 22.030 ( 3.150 -3.418 -12.997) 13.803 22.717 ( -2.069 4.329 5.557) 7.342 23.958 ( -3.921 2.324 8.558) 9.696 24.778 ( -4.922 -0.689 -6.004) 7.795 25.212 ( -1.142 3.928 -1.802) 4.470 25.750 ( 2.085 -4.035 1.059) 4.664 ======================= Grid point 417 (201/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 7.356 -6.098 -2.233) 9.812 2.219 ( 3.186 -3.485 -0.987) 4.824 2.377 ( -2.729 1.528 -1.544) 3.488 2.939 ( 2.012 -6.526 -10.829) 12.802 2.944 ( -2.619 -2.431 -1.285) 3.797 3.698 ( 2.928 2.075 1.638) 3.945 3.925 ( 0.697 4.280 -0.930) 4.435 4.601 ( 12.013 -9.201 -18.745) 24.090 4.693 ( -1.378 -1.948 11.398) 11.645 4.971 ( 2.465 -0.963 -3.008) 4.006 5.216 ( -2.784 -2.005 -1.925) 3.934 5.487 ( 0.255 -0.925 1.268) 1.591 5.717 ( -5.468 -5.632 1.632) 8.018 5.975 ( 3.170 -2.059 10.327) 10.997 6.206 ( -6.872 12.656 -5.847) 15.543 6.530 ( 21.736 4.422 10.302) 24.457 6.632 ( -2.948 -4.646 4.505) 7.111 6.916 ( -1.296 -2.658 -4.331) 5.244 7.236 ( -9.260 -1.357 -5.832) 11.027 7.321 ( -4.077 8.594 -0.655) 9.534 7.699 ( -5.140 2.318 5.166) 7.648 7.829 ( -2.834 -6.374 -0.244) 6.980 8.424 ( 5.732 -4.224 7.862) 10.607 8.560 ( 0.040 0.063 8.028) 8.028 9.011 ( -0.041 6.321 -22.121) 23.006 9.344 ( -4.864 -0.417 2.278) 5.387 9.573 ( 0.826 0.251 -3.579) 3.682 9.754 ( 0.612 -1.723 1.054) 2.110 11.727 ( -6.572 3.973 -1.452) 7.816 11.973 ( -1.971 4.435 2.434) 5.429 13.192 ( 4.149 -4.858 -2.399) 6.825 13.336 ( 2.398 3.029 1.083) 4.012 13.707 ( 2.328 -5.659 -3.548) 7.073 13.875 ( -3.392 -1.299 6.379) 7.340 14.518 ( 0.077 1.287 0.589) 1.418 14.809 ( -1.557 -0.581 1.044) 1.963 15.165 ( 3.093 0.985 0.043) 3.246 16.007 ( 5.388 -2.832 0.285) 6.094 20.795 ( -1.054 0.520 -4.043) 4.210 21.074 ( 1.831 0.332 -0.611) 1.959 21.320 ( 4.641 -2.259 8.383) 9.844 21.792 ( 0.541 -3.979 -0.750) 4.085 22.032 ( 2.409 -4.536 -11.234) 12.352 22.549 ( -7.623 8.935 -0.942) 11.783 24.082 ( 6.885 -1.209 13.971) 15.622 24.633 ( -7.708 0.173 -8.454) 11.442 25.165 ( 0.033 1.718 -1.056) 2.017 25.814 ( 0.872 -2.194 0.980) 2.557 ======================= Grid point 418 (202/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -0.000 0.000 0.000) 0.000 2.276 ( -0.000 0.000 -0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.824 ( -0.000 0.000 0.000) 0.000 3.062 ( -0.000 0.000 0.000) 0.000 3.653 ( -0.000 0.000 0.000) 0.000 3.933 ( -0.000 0.000 0.000) 0.000 4.703 ( 0.000 -0.000 -0.000) 0.000 4.708 ( -0.000 0.000 0.000) 0.000 5.010 ( -0.000 0.000 0.000) 0.000 5.224 ( -0.000 0.000 0.000) 0.000 5.406 ( 0.000 -0.000 0.000) 0.000 5.887 ( -0.000 0.000 -0.000) 0.000 5.901 ( 0.000 -0.000 0.000) 0.000 6.091 ( -0.000 0.000 0.000) 0.000 6.604 ( -0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.922 ( -0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.168 ( -0.000 -0.000 -0.000) 0.000 7.657 ( -0.000 0.000 0.000) 0.000 7.843 ( -0.000 0.000 0.000) 0.000 8.512 ( -0.000 0.000 0.000) 0.000 8.663 ( -0.000 0.000 0.000) 0.000 8.831 ( -0.000 0.000 -0.000) 0.000 9.320 ( -0.000 0.000 0.000) 0.000 9.566 ( -0.000 0.000 -0.000) 0.000 9.776 ( -0.000 0.000 0.000) 0.000 11.645 ( -0.000 0.000 0.000) 0.000 11.945 ( -0.000 0.000 0.000) 0.000 13.253 ( -0.000 -0.000 0.000) 0.000 13.331 ( -0.000 0.000 0.000) 0.000 13.747 ( -0.000 0.000 0.000) 0.000 13.875 ( -0.000 -0.000 -0.000) 0.000 14.513 ( -0.000 0.000 0.000) 0.000 14.804 ( -0.000 0.000 0.000) 0.000 15.183 ( -0.000 0.000 0.000) 0.000 16.064 ( -0.000 0.000 0.000) 0.000 20.771 ( -0.000 0.000 0.000) 0.000 21.083 ( -0.000 0.000 0.000) 0.000 21.408 ( -0.000 0.000 0.000) 0.000 21.817 ( -0.000 0.000 0.000) 0.000 22.041 ( -0.000 0.000 0.000) 0.000 22.415 ( -0.000 0.000 0.000) 0.000 24.242 ( -0.000 0.000 0.000) 0.000 24.498 ( -0.000 0.000 -0.000) 0.000 25.153 ( -0.000 0.000 0.000) 0.000 25.836 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 425 (203/227) ======================= q-point: ( 0.10 0.10 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 11.947 -0.000 -25.996) 28.610 1.973 ( 7.062 -0.000 -21.066) 22.218 2.487 ( 7.442 -0.000 2.079) 7.727 2.511 ( -6.890 0.000 1.122) 6.981 3.034 ( 12.537 -0.000 18.125) 22.039 3.164 ( 3.509 -0.000 -8.984) 9.645 3.875 ( 19.276 -0.000 -15.196) 24.545 4.079 ( -3.091 0.000 -1.325) 3.364 4.766 ( 6.900 -0.000 -6.859) 9.729 4.782 ( 8.167 -0.000 4.590) 9.369 5.377 ( -3.167 0.000 -5.973) 6.761 5.436 ( 6.703 -0.000 2.161) 7.043 5.688 ( -4.852 0.000 15.261) 16.014 5.806 ( -9.710 0.000 -0.692) 9.735 6.300 ( -7.182 0.000 0.478) 7.198 6.434 ( -0.835 0.000 11.103) 11.134 6.769 ( 11.036 -0.000 6.433) 12.774 7.089 ( -4.051 0.000 -3.787) 5.546 7.298 ( -6.861 0.000 9.534) 11.746 7.438 ( -4.241 0.000 -5.130) 6.656 7.757 ( -2.506 0.000 -9.785) 10.100 7.874 ( 2.253 -0.000 8.990) 9.268 8.229 ( -4.586 0.000 5.646) 7.273 8.455 ( -3.879 0.000 -8.305) 9.166 9.515 ( -4.070 0.000 -17.099) 17.577 9.570 ( -12.591 0.000 11.383) 16.974 9.669 ( 3.309 -0.000 -12.002) 12.450 9.746 ( -0.656 0.000 -3.603) 3.662 12.185 ( -2.222 0.000 4.999) 5.471 12.313 ( -14.046 0.000 1.303) 14.107 13.119 ( 1.010 -0.000 -3.342) 3.491 13.195 ( 8.694 -0.000 4.415) 9.751 13.295 ( 3.695 -0.000 -8.850) 9.590 13.569 ( 5.948 -0.000 10.751) 12.286 14.616 ( -2.468 0.000 -1.075) 2.692 14.809 ( -4.944 0.000 2.338) 5.469 15.098 ( 9.513 -0.000 -4.116) 10.365 15.480 ( 14.727 -0.000 3.339) 15.101 20.909 ( 0.086 -0.000 -4.386) 4.387 20.989 ( -1.862 0.000 9.780) 9.956 21.098 ( 5.879 -0.000 -14.579) 15.719 21.624 ( -0.090 0.000 -0.271) 0.286 22.036 ( 5.159 -0.000 -12.121) 13.174 22.506 ( 10.128 -0.000 24.368) 26.389 24.246 ( -16.957 0.000 -2.717) 17.173 24.833 ( -1.576 0.000 -2.845) 3.253 25.442 ( -1.129 0.000 -3.164) 3.360 25.535 ( 0.287 -0.000 -0.592) 0.658 ======================= Grid point 426 (204/227) ======================= q-point: ( 0.20 0.10 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 16.627 -0.422 -19.388) 25.545 2.023 ( 12.328 -5.427 -16.302) 21.147 2.475 ( -2.238 1.050 4.439) 5.081 2.621 ( 7.572 -2.565 0.458) 8.008 3.137 ( 4.211 3.334 -10.194) 11.522 3.362 ( 12.178 -5.066 10.502) 16.860 3.989 ( 5.101 0.098 -8.533) 9.942 4.130 ( 16.340 -8.349 -15.007) 23.705 4.768 ( 1.518 4.322 -5.182) 6.917 4.874 ( 0.883 -5.784 -2.295) 6.285 5.244 ( -5.162 4.443 -2.885) 7.396 5.448 ( -5.116 -1.102 4.724) 7.050 5.708 ( -0.493 2.525 5.463) 6.038 5.961 ( 5.705 -3.227 12.052) 13.719 6.168 ( 1.543 3.888 6.316) 7.576 6.511 ( -2.716 -4.366 9.579) 10.871 6.790 ( -3.577 13.005 -5.330) 14.503 7.042 ( -2.206 -1.745 2.322) 3.647 7.279 ( -3.764 -3.562 -1.161) 5.311 7.384 ( -4.568 -7.773 3.107) 9.536 7.560 ( -11.966 -1.181 -11.638) 16.734 7.967 ( 3.113 6.547 14.175) 15.922 8.251 ( 2.035 0.136 4.758) 5.177 8.430 ( 1.207 -4.626 1.574) 5.034 9.327 ( 0.571 3.118 -23.438) 23.651 9.435 ( -15.034 -0.641 8.157) 17.117 9.631 ( 4.170 0.968 -13.321) 13.992 9.723 ( 0.469 0.596 -0.522) 0.921 12.065 ( -10.365 6.989 1.821) 12.633 12.211 ( -3.934 1.751 4.064) 5.921 13.056 ( -0.242 1.686 -3.812) 4.176 13.274 ( 4.049 -0.399 -1.350) 4.287 13.404 ( 2.132 -10.715 -1.618) 11.044 13.758 ( 7.844 -0.659 8.984) 11.945 14.578 ( -1.170 1.265 -0.342) 1.757 14.773 ( -3.617 -1.872 2.008) 4.541 15.181 ( 7.801 2.399 -4.807) 9.472 15.733 ( 12.222 -3.056 4.471) 13.368 20.859 ( 0.756 -0.190 -11.141) 11.168 21.043 ( -1.275 -2.155 8.576) 8.934 21.151 ( 10.839 2.963 -3.227) 11.691 21.613 ( -3.713 -4.608 0.244) 5.923 22.023 ( 4.453 0.914 -10.696) 11.622 22.764 ( 3.726 0.498 12.520) 13.072 24.039 ( -5.905 3.159 4.232) 7.922 24.760 ( -5.340 -0.622 -4.327) 6.901 25.343 ( -0.914 7.342 -3.457) 8.167 25.597 ( 0.104 -8.415 -0.317) 8.422 ======================= Grid point 427 (205/227) ======================= q-point: ( 0.30 0.10 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 18.005 -1.927 -9.254) 20.336 2.171 ( 11.136 -0.737 -3.308) 11.641 2.436 ( -2.559 3.107 0.975) 4.141 2.771 ( 7.806 -4.862 -2.833) 9.623 3.007 ( -4.000 3.771 -13.242) 14.338 3.665 ( 12.198 -3.008 6.084) 13.959 4.055 ( 10.426 2.495 -4.352) 11.570 4.392 ( 19.863 -8.405 -19.593) 29.138 4.677 ( -3.048 3.317 2.787) 5.297 4.929 ( 1.437 -4.180 -3.497) 5.636 5.179 ( 0.853 -0.414 0.385) 1.023 5.411 ( -4.744 -2.153 6.144) 8.056 5.723 ( -11.092 3.263 -0.517) 11.574 5.896 ( 0.513 -5.604 10.030) 11.500 6.402 ( -8.545 3.284 -3.440) 9.780 6.500 ( 4.719 -2.821 4.880) 7.352 6.689 ( 12.653 6.537 7.543) 16.116 6.905 ( -7.440 3.401 -7.704) 11.237 7.180 ( -12.804 -3.500 -4.630) 14.058 7.397 ( -5.700 -1.358 0.607) 5.891 7.519 ( 0.926 -10.520 2.392) 10.828 7.995 ( 1.664 12.415 15.172) 19.675 8.353 ( 4.800 -1.957 6.526) 8.335 8.546 ( 2.467 -1.722 8.747) 9.250 9.137 ( 1.652 4.444 -25.088) 25.532 9.280 ( -14.128 -3.858 5.569) 15.668 9.598 ( 5.944 1.446 -13.570) 14.885 9.744 ( 1.895 0.160 2.603) 3.224 11.848 ( -8.630 6.083 -0.937) 10.600 12.118 ( -3.338 7.291 1.442) 8.148 13.061 ( -0.323 -5.741 -1.900) 6.056 13.336 ( 1.797 -1.714 1.651) 2.982 13.522 ( 1.522 -9.402 -3.804) 10.256 13.912 ( 6.327 2.842 8.214) 10.751 14.544 ( -1.245 1.010 -0.821) 1.801 14.764 ( -2.903 -2.597 1.685) 4.244 15.215 ( 5.245 2.640 -4.913) 7.656 15.943 ( 7.347 -2.604 3.949) 8.738 20.799 ( 1.357 0.279 -9.976) 10.072 21.100 ( 1.309 -0.491 2.769) 3.102 21.279 ( 5.817 1.513 8.534) 10.438 21.644 ( -0.212 -8.453 -1.947) 8.677 22.003 ( 3.901 0.932 -9.959) 10.737 22.734 ( -5.774 6.380 -0.329) 8.611 24.099 ( 7.373 2.232 14.156) 16.116 24.630 ( -7.912 -0.349 -6.231) 10.077 25.239 ( -0.125 5.288 -3.244) 6.205 25.691 ( -0.540 -8.358 0.278) 8.380 ======================= Grid point 428 (206/227) ======================= q-point: ( 0.40 0.10 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 7.655 -3.911 -3.136) 9.151 2.309 ( 9.124 5.091 4.334) 11.311 2.362 ( 0.346 4.848 -1.910) 5.222 2.822 ( 0.861 -0.808 -8.876) 8.954 2.962 ( 7.112 -4.567 1.010) 8.512 3.781 ( 3.826 6.139 -2.563) 7.674 4.086 ( 6.120 13.555 1.138) 14.916 4.571 ( 15.170 -5.090 -20.844) 26.277 4.757 ( 0.779 -3.287 13.298) 13.720 4.997 ( 6.053 -2.080 -3.667) 7.377 5.170 ( -0.870 0.135 1.235) 1.517 5.461 ( -8.422 3.144 -0.711) 9.018 5.576 ( 2.511 -14.215 8.420) 16.711 6.087 ( 3.812 -0.191 5.155) 6.414 6.128 ( -10.172 5.913 -6.113) 13.259 6.513 ( -7.251 -4.398 -3.527) 9.185 6.788 ( -2.336 -10.016 -5.706) 11.762 6.926 ( 9.771 3.832 7.496) 12.897 6.984 ( -8.577 0.839 -5.831) 10.405 7.343 ( -4.991 1.851 3.962) 6.636 7.606 ( -0.245 -3.197 0.511) 3.247 7.986 ( 3.717 11.345 12.430) 17.235 8.485 ( 3.553 -1.812 1.928) 4.430 8.640 ( -1.347 -0.055 15.543) 15.601 8.925 ( -1.089 5.730 -19.349) 20.209 9.223 ( -6.273 -7.547 3.618) 10.459 9.590 ( 7.095 1.661 -12.208) 14.218 9.797 ( 2.597 1.203 3.740) 4.710 11.691 ( -2.928 3.889 -1.191) 5.011 12.004 ( -2.147 4.769 -1.606) 5.471 13.117 ( -2.843 -8.515 0.099) 8.978 13.362 ( -2.880 0.209 4.438) 5.295 13.623 ( 5.153 -7.131 -7.454) 11.531 13.993 ( 4.203 6.435 7.783) 10.939 14.510 ( -1.261 -0.195 -1.958) 2.337 14.766 ( -2.276 -2.876 1.073) 3.821 15.213 ( 2.756 2.156 -4.908) 6.027 16.055 ( 2.070 -0.687 3.007) 3.715 20.763 ( 1.680 -0.160 -6.263) 6.487 21.128 ( 2.781 2.492 -0.027) 3.734 21.351 ( -6.272 -3.095 9.166) 11.530 21.792 ( 9.462 -4.360 1.453) 10.519 21.985 ( 3.108 -1.091 -8.744) 9.344 22.547 ( -4.999 8.608 -0.941) 9.998 24.282 ( 4.609 3.171 6.129) 8.299 24.487 ( -3.381 -0.895 -0.803) 3.589 25.177 ( 0.147 2.477 -2.508) 3.528 25.762 ( -1.419 -6.435 -0.009) 6.589 ======================= Grid point 429 (207/227) ======================= q-point: (-0.50 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -7.502 0.260 -0.830) 7.553 2.358 ( 2.993 5.427 3.419) 7.078 2.377 ( 8.429 5.224 -0.377) 9.923 2.932 ( 11.361 -0.368 6.085) 12.893 3.116 ( 5.751 0.615 1.456) 5.964 3.677 ( -0.707 7.605 -1.893) 7.869 4.009 ( 3.288 10.247 -1.943) 10.935 4.680 ( 9.653 -1.370 -16.156) 18.870 4.785 ( -6.899 5.415 14.782) 17.188 4.995 ( -2.197 1.599 -1.620) 3.164 5.229 ( 1.899 -1.605 2.199) 3.320 5.467 ( 6.563 -1.925 5.539) 8.801 5.842 ( -2.963 -5.323 2.080) 6.437 5.936 ( 4.767 -2.692 -0.718) 5.522 6.032 ( -4.620 3.641 -7.509) 9.539 6.399 ( -10.722 -5.363 -8.566) 14.734 6.752 ( -10.736 1.707 -6.577) 12.706 6.945 ( 0.389 -7.805 4.040) 8.797 7.054 ( 7.878 -1.791 4.810) 9.403 7.269 ( -4.090 0.074 2.972) 5.057 7.662 ( 6.212 -0.119 -0.892) 6.277 8.020 ( 5.545 8.002 7.251) 12.139 8.493 ( -2.812 0.673 -0.999) 3.059 8.600 ( -4.697 4.809 -11.745) 13.533 8.882 ( 0.145 -4.603 16.045) 16.693 9.282 ( 0.888 -5.143 1.628) 5.467 9.596 ( 5.946 2.208 -8.006) 10.215 9.826 ( 2.078 3.924 2.440) 5.066 11.680 ( 4.380 -0.263 0.793) 4.459 11.938 ( 0.263 0.933 -3.649) 3.776 13.153 ( -6.538 -8.716 1.728) 11.032 13.305 ( -6.506 1.535 2.880) 7.279 13.723 ( 7.215 -2.541 -7.459) 10.684 14.007 ( 2.850 8.231 6.253) 10.722 14.487 ( -1.001 -1.471 -2.739) 3.266 14.776 ( -1.404 -3.059 0.250) 3.375 15.183 ( 0.918 2.061 -4.803) 5.307 16.060 ( -3.194 1.759 2.402) 4.366 20.770 ( 2.235 -1.237 -2.389) 3.498 21.127 ( 2.344 4.358 -0.352) 4.961 21.306 ( -9.341 -3.394 2.924) 10.359 21.870 ( 0.516 4.001 -2.200) 4.595 22.104 ( 8.743 -2.082 5.881) 10.741 22.439 ( 1.165 2.067 0.487) 2.422 24.150 ( -6.059 4.377 -11.217) 13.479 24.620 ( 7.402 -0.919 10.462) 12.849 25.150 ( 0.175 0.385 -1.518) 1.575 25.789 ( -2.483 -4.150 -0.909) 4.921 ======================= Grid point 430 (208/227) ======================= q-point: (-0.40 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -3.852 1.326 7.241) 8.309 2.353 ( 2.073 6.327 3.237) 7.403 2.444 ( 8.836 6.410 2.589) 11.219 3.050 ( 0.364 17.302 0.015) 17.306 3.131 ( 7.099 3.279 10.761) 13.302 3.626 ( -2.061 0.662 -3.833) 4.402 3.981 ( 5.931 3.970 2.877) 7.695 4.605 ( -5.383 7.271 -3.842) 9.828 4.711 ( -4.618 4.826 5.790) 8.840 4.976 ( 0.680 -2.578 1.700) 3.162 5.285 ( 1.335 0.456 0.778) 1.610 5.515 ( 0.554 5.381 -2.658) 6.027 5.698 ( -9.259 5.418 -2.103) 10.932 5.953 ( 2.098 -6.703 -3.612) 7.898 6.022 ( -21.026 0.080 -12.242) 24.330 6.255 ( 7.357 -5.195 0.840) 9.045 6.696 ( 7.075 -2.422 0.133) 7.479 6.974 ( -1.101 0.510 5.620) 5.750 7.253 ( 1.499 -9.693 2.748) 10.186 7.325 ( 4.889 -6.010 -0.941) 7.805 7.755 ( 7.982 1.401 -2.910) 8.611 8.059 ( 5.949 8.817 5.619) 12.029 8.308 ( -7.457 5.434 -11.030) 14.381 8.496 ( -3.810 -3.615 -1.589) 5.487 9.079 ( -0.699 -6.807 19.892) 21.036 9.360 ( 4.111 -3.442 -4.645) 7.094 9.611 ( 3.541 2.517 0.310) 4.355 9.812 ( 2.371 5.544 0.440) 6.046 11.811 ( 8.667 -2.573 0.332) 9.047 11.964 ( 5.605 -3.303 -2.050) 6.821 13.121 ( -10.698 -3.423 3.876) 11.883 13.194 ( -9.048 -2.904 -1.243) 9.584 13.766 ( 4.934 5.254 -3.007) 7.810 13.998 ( 4.559 7.209 0.627) 8.553 14.475 ( -1.143 -2.572 -2.425) 3.716 14.794 ( -1.129 -3.480 -0.763) 3.737 15.134 ( 0.973 2.956 -4.405) 5.393 15.953 ( -8.536 4.528 2.234) 9.917 20.824 ( 2.674 -2.598 1.435) 3.995 21.091 ( -0.404 4.810 0.836) 4.899 21.216 ( -4.603 0.292 -2.653) 5.321 21.781 ( -5.219 2.517 -1.178) 5.913 22.184 ( 0.827 8.627 11.530) 14.424 22.576 ( 7.483 -7.387 -0.495) 10.527 23.971 ( 0.929 3.211 -10.861) 11.363 24.781 ( 4.079 -0.528 7.273) 8.356 25.158 ( 1.615 -1.164 -0.456) 2.042 25.768 ( -4.029 -2.113 -1.493) 4.789 ======================= Grid point 431 (209/227) ======================= q-point: (-0.30 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.055 0.369 12.560) 12.609 2.321 ( 2.999 10.267 4.381) 11.559 2.550 ( 12.641 8.384 7.169) 16.778 2.821 ( -4.517 18.932 4.411) 19.957 3.177 ( 0.576 8.054 0.426) 8.086 3.486 ( -2.079 9.460 -4.529) 10.693 4.021 ( -7.210 7.478 10.231) 14.580 4.428 ( 1.149 6.560 -4.104) 7.822 4.635 ( -5.935 -1.192 2.724) 6.638 5.068 ( 1.277 -2.817 3.094) 4.375 5.223 ( -8.995 7.986 -0.811) 12.056 5.300 ( -14.898 -3.978 -5.885) 16.505 5.485 ( -7.228 0.716 -14.672) 16.371 5.809 ( 7.529 -1.253 3.196) 8.274 6.004 ( -5.350 -7.206 -3.031) 9.472 6.432 ( 8.661 -0.424 0.190) 8.673 6.890 ( 10.637 -0.824 1.155) 10.731 7.022 ( 0.732 -2.756 4.831) 5.610 7.375 ( 4.613 -5.184 -8.788) 11.197 7.455 ( 3.214 -6.659 6.318) 9.725 7.778 ( 1.958 6.507 -2.805) 7.351 8.006 ( -0.064 12.103 1.612) 12.210 8.187 ( 2.386 -3.441 -5.977) 7.298 8.485 ( -5.041 -5.190 2.310) 7.595 9.272 ( -0.737 -7.135 16.704) 18.179 9.424 ( 4.452 -6.218 -9.037) 11.839 9.653 ( 1.864 2.147 7.482) 8.004 9.790 ( 3.318 4.985 -1.706) 6.226 11.963 ( 10.380 -2.297 -2.007) 10.819 12.169 ( 12.612 -6.811 1.818) 14.448 12.969 ( -12.734 0.895 1.245) 12.826 13.083 ( -13.837 -7.107 -0.987) 15.586 13.723 ( 2.386 10.828 2.778) 11.430 13.963 ( 4.590 9.136 -6.769) 12.262 14.491 ( 0.134 -4.085 -0.377) 4.104 14.799 ( -3.399 -4.659 -1.952) 6.088 15.099 ( 4.544 5.116 -3.573) 7.720 15.741 ( -13.157 7.231 2.545) 15.227 20.921 ( 1.735 -4.259 4.732) 6.599 21.033 ( -1.460 4.393 3.575) 5.849 21.133 ( 1.802 4.310 -8.015) 9.277 21.655 ( -9.604 0.144 1.235) 9.684 22.169 ( -0.284 8.456 12.498) 15.092 22.636 ( -1.771 0.432 -10.161) 10.323 24.043 ( 15.309 -3.401 -2.175) 15.833 24.841 ( -2.123 -0.939 3.994) 4.620 25.225 ( 4.906 -2.209 0.227) 5.386 25.698 ( -6.146 -0.604 -1.185) 6.288 ======================= Grid point 432 (210/227) ======================= q-point: (-0.20 0.10 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 2.799 5.657 10.047) 11.865 2.314 ( 6.791 7.711 6.710) 12.271 2.518 ( -5.100 22.175 3.517) 23.024 2.733 ( 3.546 8.487 8.987) 12.860 2.988 ( 3.564 11.282 -7.984) 14.273 3.360 ( -0.452 10.062 0.368) 10.079 3.808 ( -9.868 7.555 7.522) 14.527 4.225 ( -15.093 10.940 -10.698) 21.492 4.642 ( 0.123 -2.067 1.154) 2.371 4.813 ( -10.600 7.946 -0.601) 13.262 5.205 ( -0.331 -7.325 -2.857) 7.870 5.239 ( -3.487 -10.526 0.644) 11.108 5.521 ( 9.819 -7.318 -1.900) 12.392 5.916 ( -11.975 -11.905 -4.333) 17.433 6.061 ( 15.801 2.662 5.929) 17.085 6.474 ( -2.793 1.897 -1.158) 3.570 6.961 ( 7.937 7.810 -4.662) 12.072 7.103 ( 0.195 -3.685 0.934) 3.807 7.400 ( 1.045 1.669 -2.497) 3.181 7.502 ( -2.821 5.458 -1.997) 6.461 7.789 ( 3.653 -3.255 8.480) 9.790 7.916 ( 1.793 6.231 -3.674) 7.452 8.267 ( 8.122 -3.254 -5.193) 10.175 8.480 ( -7.901 -5.182 6.053) 11.222 9.450 ( 0.550 -8.696 10.047) 13.299 9.517 ( 3.800 -9.206 -7.754) 12.622 9.710 ( -0.041 0.899 9.420) 9.462 9.773 ( 2.945 2.940 -4.301) 5.984 12.173 ( 15.705 -1.858 0.263) 15.817 12.455 ( 13.584 -5.170 0.813) 14.557 12.763 ( -15.827 -2.962 -0.619) 16.114 12.929 ( -15.394 -6.556 -0.754) 16.749 13.651 ( 1.939 13.146 6.878) 14.963 13.818 ( 0.710 12.940 -10.345) 16.582 14.573 ( 3.464 -4.903 1.690) 6.236 14.769 ( -6.132 -5.619 -2.514) 8.689 15.111 ( 9.356 7.218 -2.837) 12.152 15.456 ( -14.981 8.714 2.914) 17.574 20.962 ( -0.717 1.197 1.352) 1.943 21.016 ( -2.923 1.762 1.305) 3.654 21.136 ( 10.969 0.923 -0.606) 11.024 21.511 ( -12.559 -2.132 1.020) 12.779 22.165 ( -0.255 7.774 13.782) 15.825 22.428 ( -4.138 7.672 -17.344) 19.411 24.385 ( 19.303 -6.592 1.778) 20.475 24.806 ( -7.583 -2.240 1.956) 8.145 25.346 ( 7.087 -2.905 0.235) 7.663 25.591 ( -7.791 -0.200 -0.332) 7.801 ======================= Grid point 433 (211/227) ======================= q-point: (-0.10 0.10 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -0.453 16.704 -1.021) 16.741 2.213 ( 0.453 16.704 1.021) 16.741 2.443 ( -9.962 5.946 -13.458) 17.768 2.443 ( 9.962 5.946 13.458) 17.768 3.152 ( -12.689 5.027 -9.726) 16.759 3.152 ( 12.689 5.027 9.726) 16.759 3.792 ( -9.188 6.871 -11.703) 16.388 3.792 ( 9.188 6.871 11.703) 16.388 4.660 ( 3.524 3.390 -5.685) 7.499 4.660 ( -3.524 3.390 5.685) 7.499 5.310 ( -0.269 -8.189 -0.650) 8.219 5.310 ( 0.269 -8.189 0.650) 8.219 5.823 ( -13.332 -11.776 -3.209) 18.075 5.823 ( 13.332 -11.776 3.209) 18.075 6.299 ( -12.353 2.447 -4.963) 13.536 6.299 ( 12.353 2.447 4.963) 13.536 6.980 ( -1.671 9.539 -3.167) 10.189 6.980 ( 1.671 9.539 3.167) 10.189 7.422 ( -1.153 -1.626 -7.470) 7.732 7.422 ( 1.153 -1.626 7.470) 7.732 7.857 ( 3.209 3.594 -7.802) 9.170 7.857 ( -3.209 3.594 7.802) 9.170 8.431 ( 11.048 -3.982 -7.308) 13.832 8.431 ( -11.048 -3.982 7.308) 13.832 9.607 ( 2.957 -7.914 -9.215) 12.502 9.607 ( -2.957 -7.914 9.215) 12.502 9.754 ( 4.848 -0.532 -11.428) 12.425 9.754 ( -4.848 -0.532 11.428) 12.425 12.440 ( -14.165 0.609 -2.785) 14.449 12.440 ( 14.165 0.609 2.785) 14.449 12.807 ( -9.854 -9.406 -1.144) 13.671 12.807 ( 9.854 -9.406 1.144) 13.671 13.582 ( -0.270 14.092 -11.077) 17.926 13.582 ( 0.270 14.092 11.077) 17.926 14.718 ( -6.025 -5.085 -2.568) 8.292 14.718 ( 6.025 -5.085 2.568) 8.292 15.172 ( -5.893 7.706 -1.658) 9.842 15.172 ( 5.893 7.706 1.658) 9.842 20.954 ( 1.125 2.321 -5.266) 5.864 20.954 ( -1.125 2.321 5.266) 5.864 21.345 ( -8.395 -3.033 -7.354) 11.565 21.345 ( 8.395 -3.033 7.354) 11.565 22.180 ( 0.742 7.680 -17.829) 19.427 22.180 ( -0.742 7.680 17.829) 19.427 24.695 ( -12.508 -3.518 0.068) 12.993 24.695 ( 12.508 -3.518 -0.068) 12.993 25.486 ( -6.641 -1.757 -0.366) 6.879 25.486 ( 6.641 -1.757 0.366) 6.879 ======================= Grid point 437 (212/227) ======================= q-point: ( 0.20 0.20 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 18.338 -0.000 -16.476) 24.653 2.168 ( 18.896 -0.000 -2.712) 19.089 2.479 ( -1.569 0.000 2.193) 2.696 2.713 ( 8.026 -0.000 -2.206) 8.324 3.061 ( -4.842 0.000 -15.163) 15.918 3.619 ( 16.500 -0.000 7.727) 18.220 4.058 ( 15.265 -0.000 -4.373) 15.879 4.288 ( 22.374 -0.000 -18.226) 28.858 4.799 ( -3.340 0.000 2.064) 3.926 4.801 ( 3.317 -0.000 -7.565) 8.260 5.210 ( -2.592 0.000 2.095) 3.333 5.391 ( -6.801 0.000 8.898) 11.199 5.782 ( 3.673 -0.000 8.604) 9.355 5.784 ( -17.571 0.000 -2.017) 17.686 6.430 ( 0.932 -0.000 3.405) 3.530 6.455 ( -6.254 0.000 1.234) 6.375 6.799 ( 11.156 -0.000 1.561) 11.265 6.992 ( -8.717 0.000 -10.667) 13.776 7.132 ( -11.686 0.000 -4.373) 12.478 7.276 ( -4.881 0.000 7.833) 9.230 7.436 ( 3.404 -0.000 2.136) 4.019 8.172 ( 0.967 -0.000 19.709) 19.732 8.333 ( 4.354 -0.000 5.092) 6.700 8.505 ( 7.298 -0.000 9.356) 11.866 9.191 ( 1.691 -0.000 -25.781) 25.836 9.227 ( -18.428 0.000 5.696) 19.288 9.617 ( 7.131 -0.000 -16.547) 18.018 9.746 ( 1.744 -0.000 2.314) 2.898 11.934 ( -10.379 0.000 -0.498) 10.391 12.217 ( -3.711 0.000 1.881) 4.160 12.988 ( -3.395 0.000 -4.211) 5.409 13.347 ( -2.650 0.000 8.633) 9.030 13.352 ( 8.712 -0.000 -7.316) 11.376 13.951 ( 9.558 -0.000 6.333) 11.465 14.557 ( -1.964 0.000 -1.205) 2.305 14.729 ( -3.045 0.000 2.034) 3.662 15.250 ( 5.483 -0.000 -7.286) 9.119 15.910 ( 8.234 -0.000 6.049) 10.217 20.807 ( 4.114 -0.000 -14.657) 15.223 21.069 ( -3.146 0.000 12.406) 12.798 21.359 ( 16.643 -0.000 -2.578) 16.842 21.498 ( -7.920 0.000 2.119) 8.198 22.019 ( 3.437 -0.000 -8.887) 9.528 22.808 ( -4.171 0.000 1.033) 4.297 24.135 ( 6.882 -0.000 13.288) 14.964 24.624 ( -7.930 0.000 -5.092) 9.424 25.359 ( -0.787 0.000 -4.818) 4.882 25.528 ( -0.327 0.000 0.406) 0.521 ======================= Grid point 438 (213/227) ======================= q-point: ( 0.30 0.20 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 9.143 -2.484 -10.228) 13.942 2.374 ( 1.210 1.326 5.794) 6.065 2.526 ( 16.387 6.050 0.712) 17.483 2.789 ( 2.003 -1.189 -9.787) 10.061 2.914 ( 3.827 -0.802 -6.851) 7.888 3.892 ( 14.719 3.864 2.337) 15.396 4.332 ( 21.256 2.838 0.637) 21.454 4.495 ( 20.288 -2.427 -20.366) 28.849 4.691 ( -3.477 5.265 3.516) 7.222 4.901 ( 6.352 -7.531 -4.282) 10.743 5.227 ( 0.363 1.340 6.701) 6.843 5.357 ( -6.237 -2.710 10.427) 12.449 5.520 ( -13.193 1.780 -0.576) 13.325 5.969 ( 5.539 -7.446 9.636) 13.378 6.244 ( -7.852 5.747 -7.468) 12.266 6.392 ( -7.026 -6.898 -6.814) 11.974 6.724 ( -9.892 2.726 -11.041) 15.073 6.912 ( -14.337 -1.114 -2.922) 14.674 7.076 ( 12.379 2.397 5.376) 13.708 7.296 ( -1.094 -3.070 6.229) 7.030 7.551 ( 4.381 -1.493 4.088) 6.175 8.218 ( -3.644 6.026 12.578) 14.415 8.474 ( 5.854 0.944 12.674) 13.992 8.685 ( 3.566 3.880 12.107) 13.204 9.006 ( -11.977 -2.790 -7.439) 14.372 9.048 ( -1.854 -2.780 -9.993) 10.537 9.622 ( 10.434 0.926 -17.828) 20.678 9.810 ( 3.602 0.024 4.212) 5.542 11.787 ( -5.506 3.366 -0.818) 6.505 12.110 ( -5.387 3.334 -4.130) 7.562 12.949 ( -3.592 -4.907 -0.996) 6.162 13.350 ( -4.203 -0.457 7.703) 8.787 13.484 ( 9.868 -4.246 -5.454) 12.048 14.104 ( 7.553 2.868 5.203) 9.609 14.508 ( -2.709 -0.031 -2.581) 3.742 14.707 ( -3.247 -1.731 2.256) 4.316 15.255 ( 3.548 1.157 -7.895) 8.733 16.040 ( 3.481 -0.454 5.092) 6.185 20.774 ( 5.139 0.790 -13.540) 14.504 21.118 ( -3.660 -2.206 12.364) 13.082 21.368 ( -6.034 3.483 3.366) 7.738 21.652 ( 16.433 -5.675 -0.457) 17.391 22.001 ( 2.485 1.003 -7.720) 8.172 22.703 ( -4.731 4.088 -2.281) 6.655 24.354 ( 8.452 2.382 12.427) 15.217 24.465 ( -7.549 -0.864 -4.087) 8.627 25.273 ( -0.500 5.387 -4.347) 6.940 25.581 ( -0.874 -7.938 0.230) 7.989 ======================= Grid point 439 (214/227) ======================= q-point: ( 0.40 0.20 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -2.986 -2.649 -3.448) 5.275 2.369 ( -1.664 -0.043 2.807) 3.263 2.618 ( 8.561 9.895 -2.054) 13.244 2.898 ( 16.345 -1.808 1.541) 16.517 3.049 ( 9.828 -3.431 -0.017) 10.409 3.960 ( 8.305 13.449 -1.994) 15.932 4.355 ( 3.952 18.998 -2.373) 19.549 4.653 ( 16.073 -0.711 -15.737) 22.506 4.794 ( 0.947 -5.453 7.182) 9.068 5.025 ( 4.467 -0.862 -6.259) 7.738 5.217 ( -0.171 2.237 8.878) 9.157 5.395 ( 0.085 -2.815 6.951) 7.500 5.551 ( 3.544 -12.695 8.539) 15.705 6.000 ( -6.744 1.847 -5.733) 9.042 6.137 ( -0.455 4.197 -2.604) 4.960 6.311 ( -5.352 -3.662 -9.270) 11.312 6.632 ( 2.469 -11.133 -1.831) 11.550 6.696 ( -14.174 -3.957 -2.890) 14.997 7.146 ( -1.559 -0.528 3.727) 4.074 7.340 ( 0.815 7.951 3.162) 8.596 7.644 ( 4.142 -1.778 2.238) 5.032 8.161 ( -4.491 3.664 7.543) 9.513 8.534 ( -3.522 4.833 -2.379) 6.436 8.689 ( -3.640 1.674 12.100) 12.746 8.819 ( -5.648 -1.545 -5.426) 7.983 9.156 ( 6.016 -5.109 5.621) 9.690 9.658 ( 12.090 2.785 -14.675) 19.217 9.892 ( 3.902 1.568 4.309) 6.021 11.712 ( 1.196 2.745 0.116) 2.997 11.980 ( -2.624 1.900 -5.577) 6.450 12.951 ( -6.130 -7.802 0.245) 9.925 13.316 ( -8.140 -0.517 6.238) 10.268 13.653 ( 12.189 -2.994 -5.689) 13.781 14.174 ( 3.907 6.007 4.787) 8.618 14.454 ( -2.120 -1.326 -3.895) 4.629 14.702 ( -3.213 -2.978 2.490) 5.039 15.231 ( 2.962 1.810 -7.627) 8.379 16.086 ( -1.374 0.665 3.751) 4.049 20.761 ( 5.202 0.511 -9.885) 11.182 21.169 ( -5.274 -3.545 11.019) 12.720 21.269 ( -4.379 3.384 2.562) 6.098 21.957 ( 0.604 2.818 -5.783) 6.462 21.979 ( 17.464 -5.876 1.990) 18.533 22.574 ( -2.660 6.675 -0.380) 7.195 24.248 ( -7.069 3.652 -7.582) 10.990 24.598 ( 7.395 -0.934 10.922) 13.223 25.191 ( 0.017 3.439 -3.344) 4.797 25.649 ( -2.186 -7.590 -0.244) 7.902 ======================= Grid point 440 (215/227) ======================= q-point: (-0.50 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -2.917 -0.535 3.276) 4.419 2.369 ( -1.784 -0.845 2.922) 3.526 2.658 ( 10.269 8.548 3.553) 13.826 3.175 ( 15.035 -1.218 1.214) 15.133 3.236 ( 8.051 -1.636 4.633) 9.432 3.835 ( 2.993 20.555 0.131) 20.772 4.215 ( 7.522 14.793 -4.297) 17.143 4.719 ( 5.283 3.587 -10.046) 11.903 4.791 ( -5.619 1.144 4.864) 7.519 4.956 ( -3.821 2.449 -3.147) 5.522 5.282 ( 1.052 0.415 4.175) 4.325 5.608 ( 6.542 -2.979 10.149) 12.437 5.722 ( -4.206 -6.451 -0.428) 7.713 5.809 ( -7.886 -0.656 -11.967) 14.347 6.038 ( -4.916 2.918 -5.640) 8.030 6.224 ( 4.073 1.289 -0.993) 4.386 6.605 ( 0.865 -5.762 -1.750) 6.084 6.873 ( 2.180 -10.874 6.753) 12.984 7.164 ( -5.540 -5.050 0.949) 7.556 7.233 ( 3.864 7.947 3.501) 9.505 7.740 ( 4.709 -3.185 -1.891) 5.991 8.128 ( -2.244 -0.625 1.711) 2.890 8.389 ( -9.724 -3.005 -2.995) 10.609 8.517 ( -5.940 8.008 -8.938) 13.390 8.930 ( -1.455 -5.672 20.772) 21.582 9.301 ( 6.540 -1.494 -3.713) 7.667 9.713 ( 10.882 5.851 -5.108) 13.370 9.932 ( 2.872 4.455 2.488) 5.855 11.776 ( 7.929 -0.506 1.560) 8.097 11.934 ( 2.573 -0.228 -3.710) 4.521 12.935 ( -9.223 -9.066 0.250) 12.935 13.201 ( -11.722 0.410 3.031) 12.114 13.819 ( 12.602 0.084 -5.412) 13.716 14.161 ( 0.655 6.929 4.449) 8.260 14.422 ( -1.464 -2.201 -4.229) 4.988 14.707 ( -3.521 -3.649 1.884) 5.409 15.208 ( 4.630 3.010 -6.734) 8.709 16.034 ( -6.379 2.620 2.990) 7.516 20.785 ( 5.277 -0.728 -6.081) 8.085 21.152 ( -10.967 -3.012 8.803) 14.382 21.234 ( 3.823 5.038 1.610) 6.526 21.863 ( -2.773 4.133 -5.412) 7.352 22.296 ( 12.144 -2.071 6.277) 13.827 22.493 ( 0.997 3.409 1.139) 3.730 24.068 ( -2.069 4.630 -8.221) 9.659 24.754 ( 2.978 -1.727 6.260) 7.144 25.159 ( 1.967 1.341 -1.604) 2.871 25.675 ( -3.987 -5.659 -0.798) 6.968 ======================= Grid point 441 (216/227) ======================= q-point: (-0.40 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 2.198 -0.261 6.432) 6.802 2.372 ( -1.972 -0.891 2.922) 3.636 2.773 ( 11.578 8.590 10.498) 17.834 3.318 ( 9.550 11.811 -6.252) 16.425 3.337 ( 3.627 6.768 10.439) 12.959 3.675 ( 3.325 13.947 1.271) 14.394 4.202 ( 10.544 9.807 0.705) 14.417 4.576 ( -6.709 8.571 -5.741) 12.306 4.686 ( -6.884 3.155 -2.332) 7.924 4.915 ( -2.478 -5.806 -0.961) 6.385 5.256 ( -5.138 0.676 -0.136) 5.184 5.424 ( -11.541 6.028 -13.590) 18.821 5.636 ( -19.330 9.526 -5.304) 22.193 5.732 ( 0.259 -4.174 0.502) 4.212 5.946 ( 8.240 0.029 5.335) 9.817 6.416 ( 11.387 -0.826 2.515) 11.691 6.788 ( 10.483 -6.200 1.566) 12.280 6.970 ( -2.918 -2.322 7.637) 8.498 7.178 ( 1.078 -8.863 3.340) 9.532 7.341 ( 5.357 -4.077 -1.188) 6.836 7.858 ( 8.721 -2.630 -2.629) 9.481 8.092 ( -3.995 -2.978 -8.833) 10.142 8.261 ( -7.051 1.315 -3.923) 8.175 8.326 ( -8.154 -0.482 3.775) 8.999 9.110 ( -2.848 -6.625 19.861) 21.130 9.335 ( 4.815 -1.231 -12.975) 13.894 9.769 ( 7.245 7.517 3.205) 10.921 9.920 ( 2.761 6.006 -0.278) 6.617 11.939 ( 11.308 -0.471 0.234) 11.321 12.043 ( 10.551 -4.266 1.296) 11.455 12.878 ( -12.268 -8.837 -0.037) 15.120 13.006 ( -15.052 0.472 -0.184) 15.061 13.923 ( 9.188 6.266 -2.790) 11.465 14.125 ( 1.617 5.784 1.124) 6.110 14.405 ( -1.222 -3.321 -2.246) 4.191 14.692 ( -5.485 -4.308 -0.268) 6.980 15.219 ( 8.616 4.940 -5.272) 11.244 15.880 ( -11.181 5.063 2.998) 12.635 20.848 ( 5.123 -2.185 -2.865) 6.263 21.084 ( -7.712 -0.690 6.657) 10.211 21.242 ( 4.610 5.965 -0.368) 7.548 21.711 ( -6.969 4.724 -2.925) 8.913 22.368 ( 0.936 8.395 8.853) 12.237 22.589 ( 4.422 -3.978 -2.896) 6.615 24.029 ( 9.313 1.703 -4.148) 10.337 24.796 ( -4.287 -2.904 1.709) 5.453 25.204 ( 5.760 0.180 0.016) 5.763 25.645 ( -6.247 -3.625 -0.867) 7.274 ======================= Grid point 442 (217/227) ======================= q-point: (-0.30 0.20 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 5.138 -1.164 4.355) 6.835 2.365 ( -2.745 -0.577 2.401) 3.692 2.928 ( 6.498 8.896 16.863) 20.143 3.173 ( 8.238 24.301 -9.960) 27.525 3.294 ( 3.427 16.896 8.384) 19.170 3.627 ( 5.714 11.989 -0.811) 13.306 4.094 ( -9.509 18.324 5.188) 21.286 4.435 ( -16.934 2.976 -10.009) 19.895 4.522 ( 12.407 -3.015 -5.507) 13.905 4.924 ( -12.835 -7.983 -1.508) 15.190 5.059 ( -6.784 5.866 1.284) 9.060 5.151 ( -6.717 2.572 -6.635) 9.786 5.450 ( 4.666 0.770 1.020) 4.838 5.721 ( -7.478 -5.362 -3.254) 9.760 6.137 ( 14.342 3.819 6.634) 16.257 6.502 ( -1.638 0.839 -0.230) 1.855 6.972 ( 5.812 -5.198 -3.449) 8.526 7.009 ( -2.466 -3.998 5.813) 7.474 7.375 ( 8.843 -4.387 -1.026) 9.924 7.490 ( 5.172 -6.836 5.474) 10.171 7.864 ( -2.100 7.895 -0.333) 8.176 8.020 ( 0.962 0.228 -10.662) 10.707 8.189 ( 0.987 -3.955 -2.738) 4.910 8.295 ( -9.263 -8.342 6.454) 14.037 9.263 ( -3.858 -7.610 16.072) 18.196 9.336 ( 4.023 -5.150 -13.366) 14.878 9.797 ( 3.270 6.556 5.505) 9.164 9.877 ( 2.029 6.037 -3.369) 7.205 12.151 ( 16.484 -0.373 1.756) 16.581 12.311 ( 14.371 -6.540 2.012) 15.917 12.748 ( -18.118 0.178 -1.867) 18.214 12.768 ( -14.675 -7.751 -0.979) 16.625 13.922 ( 4.315 10.553 3.421) 11.903 14.057 ( 0.827 8.373 -5.861) 10.254 14.457 ( 2.485 -5.234 1.235) 5.924 14.644 ( -6.685 -5.226 -2.151) 8.754 15.276 ( 12.296 6.944 -4.335) 14.772 15.640 ( -14.440 7.351 3.634) 16.606 20.935 ( 4.108 -2.547 -0.957) 4.928 21.034 ( -5.204 -0.291 4.881) 7.140 21.243 ( 8.052 6.986 -3.112) 11.105 21.522 ( -10.749 3.682 0.356) 11.367 22.353 ( 0.946 8.261 11.024) 13.808 22.557 ( -1.975 3.457 -10.352) 11.091 24.253 ( 17.989 -4.444 1.379) 18.581 24.730 ( -10.315 -4.278 -0.311) 11.171 25.310 ( 7.946 -0.595 -0.186) 7.971 25.562 ( -8.430 -1.988 -0.312) 8.667 ======================= Grid point 443 (218/227) ======================= q-point: (-0.20 0.20 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -1.697 -0.765 -3.064) 3.585 2.332 ( 1.697 -0.765 3.064) 3.585 2.880 ( 2.925 22.805 -18.747) 29.666 2.880 ( -2.925 22.805 18.747) 29.666 3.352 ( -11.902 14.832 -13.507) 23.326 3.352 ( 11.902 14.832 13.507) 23.326 4.002 ( -13.733 10.753 -10.515) 20.367 4.002 ( 13.733 10.753 10.515) 20.367 4.730 ( -2.421 0.817 -6.713) 7.183 4.730 ( 2.421 0.817 6.713) 7.183 5.095 ( 2.735 -7.889 -6.700) 10.706 5.095 ( -2.735 -7.889 6.700) 10.706 5.617 ( -7.870 -5.558 -4.670) 10.707 5.617 ( 7.870 -5.558 4.670) 10.707 6.352 ( -12.752 2.333 -4.563) 13.743 6.352 ( 12.752 2.333 4.563) 13.743 7.053 ( 1.387 -2.992 -2.319) 4.031 7.053 ( -1.387 -2.992 2.319) 4.031 7.487 ( 8.624 4.248 -4.016) 10.418 7.487 ( -8.624 4.248 4.016) 10.418 7.902 ( -1.954 1.113 -12.249) 12.453 7.902 ( 1.954 1.113 12.249) 12.453 8.299 ( 8.655 -7.317 -6.654) 13.142 8.299 ( -8.655 -7.317 6.654) 13.142 9.394 ( 3.431 -9.226 -10.785) 14.602 9.394 ( -3.431 -9.226 10.785) 14.602 9.799 ( 1.220 4.499 -7.863) 9.141 9.799 ( -1.220 4.499 7.863) 9.141 12.447 ( -17.231 -0.194 -4.249) 17.748 12.447 ( 17.231 -0.194 4.249) 17.748 12.619 ( -13.940 -7.326 -1.794) 15.850 12.619 ( 13.940 -7.326 1.794) 15.850 13.882 ( 1.143 11.949 -11.771) 16.812 13.882 ( -1.143 11.949 11.771) 16.812 14.595 ( -5.627 -5.650 -2.486) 8.353 14.595 ( 5.627 -5.650 2.486) 8.353 15.360 ( -4.465 8.411 -0.542) 9.538 15.360 ( 4.465 8.411 0.542) 9.538 20.994 ( 3.529 0.346 -7.602) 8.388 20.994 ( -3.529 0.346 7.602) 8.388 21.323 ( -7.469 2.249 -0.953) 7.858 21.323 ( 7.469 2.249 0.953) 7.858 22.367 ( -1.917 8.100 -13.833) 16.144 22.367 ( 1.917 8.100 13.833) 16.144 24.588 ( -14.515 -5.638 -1.835) 15.679 24.588 ( 14.515 -5.638 1.835) 15.679 25.447 ( -9.055 -1.435 0.190) 9.170 25.447 ( 9.055 -1.435 -0.190) 9.170 ======================= Grid point 449 (219/227) ======================= q-point: ( 0.30 0.30 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.184 -0.000 -6.589) 6.592 2.368 ( -3.325 0.000 3.144) 4.577 2.731 ( 2.515 -0.000 -4.932) 5.536 2.901 ( 18.945 -0.000 8.599) 20.805 2.991 ( 11.550 -0.000 -8.011) 14.056 4.163 ( 13.707 -0.000 -0.149) 13.708 4.612 ( 11.102 -0.000 -0.271) 11.106 4.638 ( 17.724 -0.000 -19.417) 26.290 4.737 ( -0.500 0.000 0.080) 0.506 4.934 ( 12.686 -0.000 -0.031) 12.686 5.294 ( -8.813 0.000 13.510) 16.130 5.307 ( -0.566 0.000 11.125) 11.139 5.438 ( -1.233 0.000 3.692) 3.892 6.001 ( -2.483 0.000 -1.008) 2.680 6.203 ( -0.270 0.000 -4.301) 4.309 6.220 ( 3.640 -0.000 -8.653) 9.387 6.527 ( -7.403 0.000 -11.938) 14.047 6.654 ( -14.013 0.000 0.640) 14.027 7.115 ( -6.043 0.000 4.144) 7.328 7.460 ( 10.766 -0.000 3.951) 11.468 7.609 ( 0.771 -0.000 3.264) 3.354 8.191 ( -10.006 0.000 5.446) 11.392 8.655 ( -10.277 0.000 -3.647) 10.904 8.699 ( -6.583 0.000 25.226) 26.070 8.765 ( -2.641 0.000 -14.129) 14.374 9.096 ( 11.060 -0.000 6.572) 12.865 9.694 ( 14.846 -0.000 -16.638) 22.298 9.905 ( 4.751 -0.000 4.550) 6.579 11.757 ( -0.756 0.000 0.615) 0.974 12.000 ( -4.632 0.000 -7.659) 8.950 12.856 ( -5.054 0.000 -0.142) 5.056 13.305 ( -8.214 0.000 7.285) 10.979 13.615 ( 13.908 -0.000 -4.501) 14.618 14.248 ( 5.675 -0.000 2.404) 6.163 14.436 ( -3.539 0.000 -3.609) 5.055 14.665 ( -3.956 0.000 4.185) 5.759 15.252 ( 3.442 -0.000 -8.571) 9.236 16.093 ( -0.639 0.000 4.126) 4.176 20.774 ( 7.640 -0.000 -15.632) 17.399 21.110 ( -10.589 0.000 19.357) 22.064 21.325 ( -2.089 0.000 1.425) 2.528 21.897 ( 18.444 -0.000 -3.497) 18.772 21.996 ( 2.327 -0.000 -2.438) 3.370 22.658 ( -2.685 0.000 -1.664) 3.159 24.291 ( -8.146 0.000 -5.479) 9.817 24.586 ( 7.544 -0.000 10.216) 12.700 25.260 ( -1.259 0.000 -4.528) 4.700 25.529 ( -0.422 0.000 0.853) 0.952 ======================= Grid point 450 (220/227) ======================= q-point: ( 0.40 0.30 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -0.204 -0.854 0.930) 1.279 2.349 ( -2.523 -0.651 3.049) 4.011 2.786 ( 7.596 2.574 2.754) 8.480 3.113 ( 12.832 -1.274 -7.650) 14.994 3.203 ( 10.916 -1.386 8.679) 14.015 4.252 ( 9.607 12.803 -0.839) 16.029 4.543 ( 1.983 10.412 -7.973) 13.263 4.748 ( 7.797 -2.433 -12.230) 14.707 4.796 ( 2.510 2.427 3.448) 4.907 5.098 ( 4.435 8.289 -2.388) 9.699 5.283 ( -2.521 -1.049 7.969) 8.424 5.394 ( -2.900 -11.179 16.396) 20.055 5.545 ( 6.511 -5.653 0.969) 8.677 5.834 ( -11.032 0.476 -12.028) 16.328 6.184 ( -1.220 8.148 -6.559) 10.531 6.258 ( 7.150 1.637 -1.195) 7.431 6.428 ( 1.894 -10.203 -3.248) 10.874 6.667 ( 8.306 -4.554 5.859) 11.138 7.057 ( -6.959 -3.057 3.308) 8.290 7.491 ( -0.563 10.211 1.313) 10.310 7.650 ( -1.114 -3.875 -0.039) 4.032 8.069 ( -10.527 -3.328 3.193) 11.493 8.366 ( -14.869 0.531 -4.833) 15.644 8.587 ( -7.380 -1.138 -15.217) 16.951 8.880 ( 0.229 0.704 25.986) 25.996 9.288 ( 9.852 -0.048 -2.053) 10.064 9.826 ( 15.538 3.276 -7.030) 17.366 9.995 ( 3.849 1.179 3.676) 5.451 11.787 ( 4.901 1.028 2.158) 5.453 11.922 ( 0.630 -0.847 -5.308) 5.412 12.783 ( -7.528 -3.742 -0.862) 8.451 13.200 ( -11.868 -0.229 4.352) 12.643 13.806 ( 14.965 -0.627 -4.462) 15.629 14.287 ( 0.930 3.945 0.627) 4.102 14.375 ( -2.054 -1.979 -4.163) 5.046 14.647 ( -4.833 -1.512 6.139) 7.958 15.255 ( 5.896 1.131 -7.654) 9.727 16.072 ( -4.981 0.814 2.851) 5.797 20.786 ( 8.426 0.458 -14.185) 16.505 21.076 ( -13.069 -2.419 18.318) 22.632 21.335 ( 2.701 2.831 3.674) 5.367 21.930 ( 0.369 1.426 -8.439) 8.567 22.214 ( 15.764 -2.512 3.605) 16.365 22.602 ( -1.414 3.380 0.138) 3.666 24.148 ( -4.340 2.006 -4.515) 6.576 24.718 ( 2.514 -1.053 3.861) 4.726 25.210 ( 0.682 2.354 -1.878) 3.088 25.550 ( -1.755 -4.263 0.332) 4.622 ======================= Grid point 451 (221/227) ======================= q-point: (-0.50 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 3.343 -0.106 4.383) 5.513 2.345 ( -2.443 -1.190 3.096) 4.120 2.927 ( 10.772 4.883 10.117) 15.564 3.280 ( 11.044 -4.917 -7.225) 14.084 3.394 ( 5.208 -1.681 9.268) 10.763 4.167 ( 5.119 21.022 2.004) 21.729 4.454 ( 10.908 10.587 -14.004) 20.668 4.715 ( -7.196 -1.460 -2.682) 7.817 4.769 ( -4.507 8.451 5.918) 11.259 4.947 ( 0.030 9.434 -5.104) 10.726 5.269 ( -4.199 -0.713 2.257) 4.821 5.493 ( -10.928 0.117 -10.267) 14.995 5.649 ( 0.594 -3.178 -5.426) 6.316 5.699 ( -3.894 -6.786 4.081) 8.824 5.991 ( 0.977 5.317 0.899) 5.480 6.425 ( 13.851 2.344 3.541) 14.487 6.669 ( 13.726 -4.529 2.601) 14.686 6.891 ( 4.608 -3.655 6.971) 9.121 7.036 ( -3.892 -5.602 3.040) 7.468 7.351 ( -2.765 6.355 0.032) 6.930 7.679 ( 1.078 -9.504 -2.650) 9.925 8.011 ( -7.489 -6.152 -1.098) 9.754 8.153 ( -10.832 -2.154 -5.971) 12.555 8.393 ( -9.089 -1.637 -8.166) 12.328 9.037 ( -1.938 0.542 25.381) 25.460 9.349 ( 7.780 1.582 -14.321) 16.375 9.944 ( 10.418 6.973 -0.220) 12.538 10.033 ( 2.349 3.623 2.014) 4.764 11.923 ( 11.070 -1.012 2.928) 11.495 11.976 ( 7.111 -1.860 -0.141) 7.352 12.699 ( -10.008 -6.180 -1.999) 11.931 13.014 ( -15.675 0.155 0.862) 15.700 13.996 ( 14.738 0.914 -5.300) 15.689 14.236 ( -1.522 4.057 2.054) 4.795 14.347 ( -1.470 -1.996 -3.794) 4.532 14.620 ( -7.064 -2.090 4.585) 8.677 15.306 ( 10.052 2.729 -5.600) 11.826 15.965 ( -9.378 2.461 2.261) 9.956 20.822 ( 8.288 -0.321 -11.008) 13.783 21.036 ( -11.262 -2.565 14.561) 18.586 21.375 ( 4.332 5.086 4.605) 8.114 21.824 ( -3.134 4.345 -6.941) 8.768 22.462 ( 9.452 -2.461 2.082) 9.986 22.552 ( -0.069 3.700 1.992) 4.202 24.085 ( 3.615 2.512 -2.171) 4.908 24.729 ( -4.707 -2.671 -1.716) 5.677 25.225 ( 4.671 1.433 0.782) 4.948 25.556 ( -4.006 -3.870 -0.122) 5.571 ======================= Grid point 452 (222/227) ======================= q-point: (-0.40 0.30 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 5.248 -0.274 2.266) 5.723 2.338 ( -3.389 -1.340 2.586) 4.469 3.110 ( 10.019 7.307 14.910) 19.393 3.375 ( 3.275 0.764 -8.586) 9.222 3.573 ( 8.766 -0.492 11.510) 14.476 4.001 ( 3.098 19.863 -0.911) 20.124 4.364 ( -1.508 1.807 -11.959) 12.188 4.551 ( -9.775 18.400 5.951) 21.669 4.616 ( 4.746 3.889 -10.621) 12.266 4.831 ( -6.035 4.353 2.197) 7.759 5.195 ( -2.701 4.322 -6.230) 8.049 5.262 ( -7.100 4.898 -4.469) 9.715 5.528 ( -7.111 4.402 4.066) 9.299 5.645 ( -2.906 -2.474 -5.514) 6.706 6.195 ( 13.903 -0.024 8.782) 16.444 6.536 ( 0.918 3.109 0.319) 3.257 6.837 ( 4.864 -5.284 -3.798) 8.124 6.959 ( -4.517 0.899 5.422) 7.114 7.197 ( 9.252 -8.944 10.504) 16.611 7.356 ( 4.949 -5.380 -1.013) 7.380 7.878 ( 5.098 -11.115 -8.381) 14.825 7.937 ( -6.982 -7.727 0.914) 10.454 7.998 ( -5.434 -1.363 -6.483) 8.568 8.257 ( -9.343 -2.710 0.189) 9.730 9.160 ( -3.944 -0.607 22.911) 23.256 9.308 ( 5.759 1.868 -18.955) 19.898 9.970 ( 4.217 8.004 2.001) 9.266 10.016 ( 1.631 5.716 -0.661) 5.980 12.146 ( 14.792 -0.311 3.034) 15.103 12.179 ( 13.108 -5.033 3.137) 14.387 12.594 ( -11.941 -7.085 -3.098) 14.226 12.753 ( -18.517 0.181 -1.486) 18.578 14.110 ( 8.795 6.011 -3.797) 11.309 14.195 ( -0.080 4.045 0.571) 4.086 14.350 ( 1.189 -4.004 0.210) 4.182 14.549 ( -8.427 -3.039 0.861) 9.000 15.407 ( 13.190 4.598 -3.994) 14.528 15.774 ( -13.034 4.528 2.627) 14.046 20.886 ( 7.682 -1.570 -8.017) 11.214 21.001 ( -8.774 -2.191 10.495) 13.854 21.408 ( 5.664 7.104 3.381) 9.694 21.650 ( -6.253 6.584 -4.828) 10.284 22.509 ( 0.551 5.348 6.225) 8.225 22.583 ( 1.973 -0.643 -4.249) 4.729 24.196 ( 12.743 -0.909 1.772) 12.898 24.632 ( -10.504 -4.061 -3.576) 11.816 25.309 ( 6.813 0.322 0.624) 6.849 25.513 ( -6.334 -2.288 -0.121) 6.736 ======================= Grid point 453 (223/227) ======================= q-point: (-0.30 0.30 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -3.740 -1.309 0.062) 3.963 2.303 ( 3.740 -1.309 -0.062) 3.963 3.222 ( -2.704 9.518 -16.036) 18.843 3.222 ( 2.704 9.518 16.036) 18.843 3.763 ( -7.244 13.543 -14.606) 21.195 3.763 ( 7.244 13.543 14.606) 21.195 4.237 ( -0.910 11.721 -5.899) 13.153 4.237 ( 0.910 11.721 5.899) 13.153 4.680 ( 5.032 -0.014 -6.097) 7.905 4.680 ( -5.032 -0.014 6.097) 7.905 5.096 ( 6.182 5.830 -12.857) 15.411 5.096 ( -6.182 5.830 12.857) 15.411 5.559 ( -3.533 -0.653 -7.368) 8.198 5.559 ( 3.533 -0.653 7.368) 8.198 6.409 ( -10.507 2.737 -4.506) 11.756 6.409 ( 10.507 2.737 4.506) 11.756 6.939 ( 4.780 -5.527 -5.833) 9.350 6.939 ( -4.780 -5.527 5.833) 9.350 7.461 ( 0.362 -5.880 -7.932) 9.881 7.461 ( -0.362 -5.880 7.932) 9.881 7.885 ( -4.770 -4.399 -3.233) 7.250 7.885 ( 4.770 -4.399 3.233) 7.250 8.160 ( -7.502 -4.672 0.409) 8.847 8.160 ( 7.502 -4.672 -0.409) 8.847 9.253 ( 4.962 -2.493 -18.683) 19.491 9.253 ( -4.962 -2.493 18.683) 19.491 9.937 ( 0.303 7.159 -4.312) 8.363 9.937 ( -0.303 7.159 4.312) 8.363 12.414 ( -7.869 -3.662 -3.734) 9.448 12.414 ( 7.869 -3.662 3.734) 9.448 12.490 ( -0.865 -3.235 -2.391) 4.115 12.490 ( 0.865 -3.235 2.391) 4.115 14.103 ( 3.111 7.747 -10.141) 13.135 14.103 ( -3.111 7.747 10.141) 13.135 14.475 ( -5.793 -4.874 -2.106) 7.858 14.475 ( 5.793 -4.874 2.106) 7.858 15.527 ( -13.798 6.293 3.360) 15.533 15.527 ( 13.798 6.293 -3.360) 15.533 20.967 ( 8.072 -2.051 -14.875) 17.048 20.967 ( -8.072 -2.051 14.875) 17.048 21.441 ( -4.781 7.256 -3.855) 9.506 21.441 ( 4.781 7.256 3.855) 9.506 22.515 ( -1.111 4.783 -8.664) 9.959 22.515 ( 1.111 4.783 8.664) 9.959 24.467 ( -13.828 -4.723 -4.090) 15.174 24.467 ( 13.828 -4.723 4.090) 15.174 25.423 ( -7.767 -0.863 0.021) 7.815 25.423 ( 7.767 -0.863 -0.021) 7.815 ======================= Grid point 461 (224/227) ======================= q-point: ( 0.40 0.40 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 4.323 -0.000 3.669) 5.669 2.330 ( -2.473 0.000 3.369) 4.180 2.977 ( 11.383 -0.000 8.411) 14.153 3.229 ( 11.756 -0.000 -5.520) 12.987 3.355 ( 3.223 -0.000 6.628) 7.370 4.463 ( 9.375 -0.000 -3.580) 10.035 4.541 ( -1.898 0.000 0.349) 1.930 4.681 ( -3.566 0.000 -20.242) 20.554 4.905 ( 3.355 -0.000 5.104) 6.108 5.170 ( -1.526 0.000 -3.875) 4.165 5.229 ( -9.076 0.000 15.159) 17.668 5.432 ( 3.583 -0.000 2.827) 4.564 5.581 ( 4.252 -0.000 -5.565) 7.003 5.585 ( -8.355 0.000 -7.770) 11.410 6.077 ( -5.652 0.000 -3.788) 6.804 6.481 ( 16.984 -0.000 3.794) 17.403 6.600 ( 19.180 -0.000 2.284) 19.316 6.851 ( 13.196 -0.000 5.694) 14.373 6.951 ( -7.843 0.000 4.509) 9.047 7.445 ( -10.823 0.000 -6.642) 12.699 7.602 ( -2.705 0.000 4.046) 4.867 7.893 ( -10.978 0.000 2.686) 11.302 8.137 ( -10.325 0.000 -6.142) 12.013 8.343 ( -10.447 0.000 -13.330) 16.936 9.062 ( -1.323 0.000 26.681) 26.714 9.372 ( 9.196 -0.000 -14.557) 17.219 10.031 ( 11.085 -0.000 -0.999) 11.130 10.073 ( 2.656 -0.000 2.769) 3.837 11.907 ( 7.805 -0.000 4.071) 8.803 11.955 ( 8.287 -0.000 -0.717) 8.318 12.628 ( -9.005 0.000 -2.884) 9.455 13.015 ( -15.558 0.000 1.065) 15.594 14.000 ( 15.642 -0.000 -4.884) 16.387 14.296 ( -2.292 0.000 -2.481) 3.378 14.311 ( -0.383 0.000 -2.635) 2.663 14.597 ( -8.065 0.000 8.202) 11.503 15.337 ( 10.418 -0.000 -5.561) 11.810 15.992 ( -8.641 0.000 1.791) 8.825 20.822 ( 10.405 -0.000 -16.786) 19.749 21.002 ( -13.208 0.000 20.464) 24.356 21.437 ( 3.851 -0.000 6.566) 7.612 21.876 ( -1.312 0.000 -8.433) 8.534 22.421 ( 11.260 -0.000 1.417) 11.349 22.606 ( -1.014 0.000 0.951) 1.390 24.116 ( 1.347 -0.000 -0.478) 1.429 24.696 ( -4.443 0.000 -3.354) 5.567 25.248 ( 3.259 -0.000 1.149) 3.455 25.504 ( -2.103 0.000 0.189) 2.111 ======================= Grid point 462 (225/227) ======================= q-point: (-0.50 0.40 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 5.168 0.085 1.536) 5.392 2.316 ( -3.021 -0.497 2.904) 4.220 3.212 ( 11.548 0.676 6.606) 13.321 3.364 ( 4.532 2.018 1.271) 5.121 3.474 ( 8.931 -5.655 9.093) 13.944 4.272 ( -17.693 6.295 -14.970) 24.016 4.515 ( 4.445 6.099 -6.311) 9.838 4.602 ( 3.263 -2.489 -4.325) 5.962 4.913 ( -1.208 11.328 10.705) 15.633 5.069 ( -3.461 11.658 3.190) 12.573 5.237 ( -0.271 -0.737 0.832) 1.144 5.335 ( 0.404 1.526 -11.564) 11.671 5.548 ( -9.770 -3.526 5.749) 11.872 5.578 ( 0.611 -2.419 -9.362) 9.689 6.149 ( 13.213 -1.966 5.822) 14.572 6.655 ( -2.820 5.649 -1.660) 6.528 6.767 ( 8.379 -0.632 0.536) 8.420 7.021 ( 11.025 -1.477 9.723) 14.774 7.056 ( 3.425 0.153 3.736) 5.071 7.255 ( -5.765 -3.211 -4.148) 7.795 7.637 ( 3.684 -5.270 3.381) 7.264 7.795 ( -8.850 -5.156 -0.394) 10.250 7.976 ( -5.665 -0.869 -6.869) 8.946 8.128 ( -11.777 -5.653 -7.637) 15.132 9.198 ( -3.449 2.037 26.136) 26.441 9.363 ( 7.644 1.832 -21.072) 22.491 10.107 ( 1.328 2.583 2.485) 3.823 10.114 ( 4.344 3.468 -1.497) 5.757 12.085 ( 10.279 -2.447 4.091) 11.331 12.146 ( 14.740 -0.114 4.737) 15.483 12.478 ( -9.491 -2.864 -5.114) 11.155 12.757 ( -18.574 0.117 -1.821) 18.663 14.187 ( 14.708 1.157 -6.993) 16.327 14.252 ( -1.169 1.436 1.048) 2.128 14.289 ( -0.839 -1.426 -1.798) 2.443 14.510 ( -10.940 -0.636 6.299) 12.640 15.477 ( 13.288 1.590 -3.289) 13.781 15.842 ( -11.924 1.499 1.535) 12.115 20.866 ( 10.662 -0.370 -16.164) 19.367 20.959 ( -11.822 -1.159 18.448) 21.942 21.531 ( 4.575 3.231 7.307) 9.207 21.767 ( -3.536 3.037 -8.007) 9.265 22.552 ( 5.354 -0.969 -1.256) 5.584 22.592 ( -0.938 1.606 2.395) 3.032 24.193 ( 8.148 0.213 3.258) 8.778 24.566 ( -9.304 -1.602 -5.904) 11.135 25.318 ( 5.043 0.364 1.571) 5.295 25.470 ( -3.832 -1.215 -0.332) 4.034 ======================= Grid point 463 (226/227) ======================= q-point: (-0.40 0.40 -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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -4.395 -0.464 1.197) 4.579 2.283 ( 4.395 -0.464 -1.197) 4.579 3.348 ( 0.206 1.498 -9.087) 9.212 3.348 ( -0.206 1.498 9.087) 9.212 3.833 ( -18.089 -0.856 -16.637) 24.591 3.833 ( 18.089 -0.856 16.637) 24.591 4.517 ( -5.679 8.459 -1.194) 10.258 4.517 ( 5.679 8.459 1.194) 10.258 4.847 ( 4.968 13.077 -8.808) 16.531 4.847 ( -4.968 13.077 8.808) 16.531 5.238 ( 7.934 5.410 -11.407) 14.911 5.238 ( -7.934 5.410 11.407) 14.911 5.539 ( 0.020 -1.887 -8.754) 8.955 5.539 ( -0.020 -1.887 8.754) 8.955 6.442 ( -13.315 -0.736 -6.461) 14.818 6.442 ( 13.315 -0.736 6.461) 14.818 6.896 ( -8.568 3.458 -0.336) 9.245 6.896 ( 8.568 3.458 0.336) 9.245 7.295 ( -2.839 -7.803 -7.926) 11.479 7.295 ( 2.839 -7.803 7.926) 11.479 7.756 ( 2.451 -5.386 -7.492) 9.547 7.756 ( -2.451 -5.386 7.492) 9.547 8.022 ( -7.102 -7.703 -3.265) 10.975 8.022 ( 7.102 -7.703 3.265) 10.975 9.274 ( 5.480 2.969 -23.778) 24.582 9.274 ( -5.480 2.969 23.778) 24.582 10.085 ( 0.743 5.327 -2.502) 5.932 10.085 ( -0.743 5.327 2.502) 5.932 12.307 ( -9.989 -4.472 -0.163) 10.946 12.307 ( 9.989 -4.472 0.163) 10.946 12.462 ( -17.057 -0.336 -0.398) 17.065 12.462 ( 17.057 -0.336 0.398) 17.065 14.226 ( 2.719 3.245 -6.130) 7.450 14.226 ( -2.719 3.245 6.130) 7.450 14.390 ( -3.812 -2.418 -2.198) 5.021 14.390 ( 3.812 -2.418 2.198) 5.021 15.634 ( -13.798 3.249 2.341) 14.367 15.634 ( 13.798 3.249 -2.341) 14.367 20.925 ( 10.976 -1.462 -18.299) 21.388 20.925 ( -10.976 -1.462 18.299) 21.388 21.599 ( -4.211 5.918 -7.400) 10.369 21.599 ( 4.211 5.918 7.400) 10.369 22.580 ( 1.141 1.320 -4.064) 4.423 22.580 ( -1.141 1.320 4.064) 4.423 24.389 ( -11.385 -2.193 -5.624) 12.886 24.389 ( 11.385 -2.193 5.624) 12.886 25.406 ( -5.374 -0.568 -0.804) 5.463 25.406 ( 5.374 -0.568 0.804) 5.463 ======================= Grid point 474 (227/227) ======================= 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 0.00e+00 0.00e+00 5.87e-04 5.87e-04 6.61e-05 6.61e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 4.036 -0.000 -1.502) 4.306 2.279 ( -4.036 -0.000 1.502) 4.306 3.343 ( 7.730 -0.000 -4.337) 8.863 3.343 ( -7.730 -0.000 4.337) 8.863 3.835 ( -22.928 -0.000 -19.537) 30.123 3.835 ( 22.928 -0.000 19.537) 30.123 4.597 ( 2.390 0.000 -9.190) 9.496 4.597 ( -2.390 -0.000 9.190) 9.496 5.053 ( -0.332 0.000 -12.005) 12.010 5.053 ( 0.332 -0.000 12.005) 12.010 5.293 ( -0.818 0.000 -9.453) 9.489 5.293 ( 0.818 -0.000 9.453) 9.489 5.499 ( 1.151 -0.000 -10.304) 10.368 5.499 ( -1.151 -0.000 10.304) 10.368 6.416 ( -18.444 -0.000 -5.114) 19.140 6.416 ( 18.444 -0.000 5.114) 19.140 7.009 ( -13.436 -0.000 2.121) 13.603 7.009 ( 13.436 0.000 -2.121) 13.603 7.166 ( 0.349 -0.000 -2.258) 2.285 7.166 ( -0.349 -0.000 2.258) 2.285 7.686 ( -3.574 -0.000 -3.038) 4.691 7.686 ( 3.574 -0.000 3.038) 4.691 7.911 ( -4.776 -0.000 -0.340) 4.789 7.911 ( 4.776 -0.000 0.340) 4.789 9.318 ( 5.936 -0.000 -24.814) 25.514 9.318 ( -5.936 -0.000 24.814) 25.514 10.149 ( 0.111 -0.000 -2.312) 2.314 10.149 ( -0.111 -0.000 2.312) 2.314 12.252 ( -10.369 -0.000 -1.526) 10.481 12.252 ( 10.369 -0.000 1.526) 10.481 12.459 ( -18.703 -0.000 -1.087) 18.735 12.459 ( 18.703 -0.000 1.087) 18.735 14.257 ( -0.625 -0.000 -0.500) 0.800 14.257 ( 0.625 -0.000 0.500) 0.800 14.367 ( 13.527 -0.000 -6.066) 14.825 14.367 ( -13.527 -0.000 6.066) 14.825 15.671 ( -13.537 -0.000 1.757) 13.650 15.671 ( 13.537 -0.000 -1.757) 13.650 20.908 ( 11.906 -0.000 -19.218) 22.607 20.908 ( -11.906 -0.000 19.218) 22.607 21.671 ( -4.223 -0.000 -8.386) 9.389 21.671 ( 4.223 -0.000 8.386) 9.389 22.591 ( 2.408 -0.000 -2.261) 3.303 22.591 ( -2.408 -0.000 2.261) 3.303 24.365 ( -10.244 -0.000 -6.111) 11.928 24.365 ( 10.244 -0.000 6.111) 11.928 25.400 ( -4.411 -0.000 -1.147) 4.558 25.400 ( 4.411 -0.000 1.147) 4.558 =================== 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 3/38400 10.0 451.776 523.588 407.045 0.000 175.522 -0.000 3/38400 20.0 89.811 94.046 135.657 0.000 6.441 -0.000 3/38400 30.0 41.045 43.048 62.558 0.000 1.571 -0.000 3/38400 40.0 24.696 25.796 37.204 0.000 0.780 -0.000 3/38400 50.0 17.264 17.719 25.622 0.000 0.451 -0.000 3/38400 60.0 13.240 13.274 19.311 0.000 0.300 -0.000 3/38400 70.0 10.783 10.555 15.454 0.000 0.228 -0.000 3/38400 80.0 9.141 8.755 12.893 0.000 0.190 -0.000 3/38400 90.0 7.964 7.486 11.082 0.000 0.166 -0.000 3/38400 100.0 7.075 6.546 9.736 0.000 0.150 -0.000 3/38400 110.0 6.378 5.822 8.695 0.000 0.136 -0.000 3/38400 120.0 5.815 5.248 7.866 0.000 0.124 -0.000 3/38400 130.0 5.350 4.782 7.189 0.000 0.114 -0.000 3/38400 140.0 4.959 4.395 6.626 0.000 0.105 -0.000 3/38400 150.0 4.626 4.069 6.148 0.000 0.097 -0.000 3/38400 160.0 4.337 3.790 5.739 0.000 0.090 -0.000 3/38400 170.0 4.085 3.549 5.384 0.000 0.083 -0.000 3/38400 180.0 3.863 3.339 5.073 0.000 0.077 -0.000 3/38400 190.0 3.666 3.153 4.799 0.000 0.072 -0.000 3/38400 200.0 3.490 2.989 4.554 0.000 0.067 -0.000 3/38400 210.0 3.331 2.841 4.335 0.000 0.062 -0.000 3/38400 220.0 3.187 2.709 4.137 0.000 0.058 -0.000 3/38400 230.0 3.056 2.588 3.958 0.000 0.054 -0.000 3/38400 240.0 2.936 2.479 3.794 0.000 0.051 -0.000 3/38400 250.0 2.825 2.379 3.645 0.000 0.048 -0.000 3/38400 260.0 2.724 2.287 3.507 0.000 0.045 -0.000 3/38400 270.0 2.629 2.202 3.380 0.000 0.043 -0.000 3/38400 280.0 2.542 2.124 3.263 0.000 0.040 -0.000 3/38400 290.0 2.460 2.051 3.153 0.000 0.038 -0.000 3/38400 300.0 2.383 1.984 3.051 0.000 0.037 -0.000 3/38400 310.0 2.312 1.921 2.956 0.000 0.035 -0.000 3/38400 320.0 2.245 1.861 2.867 0.000 0.033 -0.000 3/38400 330.0 2.181 1.806 2.783 0.000 0.032 -0.000 3/38400 340.0 2.122 1.754 2.704 0.000 0.030 -0.000 3/38400 350.0 2.065 1.704 2.630 0.000 0.029 -0.000 3/38400 360.0 2.012 1.658 2.559 0.000 0.028 -0.000 3/38400 370.0 1.961 1.614 2.493 0.000 0.027 -0.000 3/38400 380.0 1.913 1.573 2.430 0.000 0.026 -0.000 3/38400 390.0 1.867 1.533 2.370 0.000 0.025 -0.000 3/38400 400.0 1.823 1.496 2.313 0.000 0.024 -0.000 3/38400 410.0 1.782 1.460 2.258 0.000 0.023 -0.000 3/38400 420.0 1.742 1.426 2.207 0.000 0.022 -0.000 3/38400 430.0 1.704 1.394 2.157 0.000 0.022 -0.000 3/38400 440.0 1.667 1.363 2.110 0.000 0.021 -0.000 3/38400 450.0 1.633 1.333 2.065 0.000 0.020 -0.000 3/38400 460.0 1.599 1.305 2.022 0.000 0.020 -0.000 3/38400 470.0 1.567 1.277 1.980 0.000 0.019 -0.000 3/38400 480.0 1.536 1.251 1.940 0.000 0.019 -0.000 3/38400 490.0 1.507 1.226 1.902 0.000 0.018 -0.000 3/38400 500.0 1.478 1.202 1.865 0.000 0.018 -0.000 3/38400 510.0 1.451 1.179 1.830 0.000 0.017 -0.000 3/38400 520.0 1.424 1.157 1.796 0.000 0.017 -0.000 3/38400 530.0 1.399 1.136 1.763 0.000 0.016 -0.000 3/38400 540.0 1.374 1.115 1.732 0.000 0.016 -0.000 3/38400 550.0 1.350 1.095 1.701 0.000 0.016 -0.000 3/38400 560.0 1.327 1.076 1.672 0.000 0.015 -0.000 3/38400 570.0 1.305 1.058 1.643 0.000 0.015 -0.000 3/38400 580.0 1.284 1.040 1.616 0.000 0.015 -0.000 3/38400 590.0 1.263 1.022 1.589 0.000 0.014 -0.000 3/38400 600.0 1.243 1.006 1.563 0.000 0.014 -0.000 3/38400 610.0 1.223 0.990 1.538 0.000 0.014 -0.000 3/38400 620.0 1.204 0.974 1.514 0.000 0.014 -0.000 3/38400 630.0 1.186 0.959 1.491 0.000 0.013 -0.000 3/38400 640.0 1.168 0.944 1.468 0.000 0.013 -0.000 3/38400 650.0 1.151 0.930 1.446 0.000 0.013 -0.000 3/38400 660.0 1.134 0.916 1.425 0.000 0.013 -0.000 3/38400 670.0 1.118 0.902 1.404 0.000 0.012 -0.000 3/38400 680.0 1.102 0.889 1.384 0.000 0.012 -0.000 3/38400 690.0 1.086 0.877 1.364 0.000 0.012 -0.000 3/38400 700.0 1.071 0.864 1.345 0.000 0.012 -0.000 3/38400 710.0 1.057 0.852 1.327 0.000 0.012 -0.000 3/38400 720.0 1.043 0.841 1.309 0.000 0.011 -0.000 3/38400 730.0 1.029 0.829 1.291 0.000 0.011 -0.000 3/38400 740.0 1.015 0.818 1.274 0.000 0.011 -0.000 3/38400 750.0 1.002 0.808 1.258 0.000 0.011 -0.000 3/38400 760.0 0.989 0.797 1.241 0.000 0.011 -0.000 3/38400 770.0 0.977 0.787 1.226 0.000 0.011 -0.000 3/38400 780.0 0.965 0.777 1.210 0.000 0.010 -0.000 3/38400 790.0 0.953 0.767 1.195 0.000 0.010 -0.000 3/38400 800.0 0.941 0.758 1.180 0.000 0.010 -0.000 3/38400 810.0 0.930 0.749 1.166 0.000 0.010 -0.000 3/38400 820.0 0.919 0.740 1.152 0.000 0.010 -0.000 3/38400 830.0 0.908 0.731 1.139 0.000 0.010 -0.000 3/38400 840.0 0.898 0.722 1.125 0.000 0.010 -0.000 3/38400 850.0 0.887 0.714 1.112 0.000 0.009 -0.000 3/38400 860.0 0.877 0.706 1.100 0.000 0.009 -0.000 3/38400 870.0 0.868 0.698 1.087 0.000 0.009 -0.000 3/38400 880.0 0.858 0.690 1.075 0.000 0.009 -0.000 3/38400 890.0 0.849 0.682 1.063 0.000 0.009 -0.000 3/38400 900.0 0.839 0.675 1.051 0.000 0.009 -0.000 3/38400 910.0 0.830 0.667 1.040 0.000 0.009 -0.000 3/38400 920.0 0.822 0.660 1.029 0.000 0.009 -0.000 3/38400 930.0 0.813 0.653 1.018 0.000 0.009 -0.000 3/38400 940.0 0.804 0.646 1.007 0.000 0.008 -0.000 3/38400 950.0 0.796 0.639 0.997 0.000 0.008 -0.000 3/38400 960.0 0.788 0.633 0.987 0.000 0.008 -0.000 3/38400 970.0 0.780 0.626 0.977 0.000 0.008 -0.000 3/38400 980.0 0.772 0.620 0.967 0.000 0.008 -0.000 3/38400 990.0 0.765 0.614 0.957 0.000 0.008 -0.000 3/38400 1000.0 0.757 0.608 0.948 0.000 0.008 -0.000 3/38400 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:54:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|