----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:59:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.296680364641255 0.000000000000000 0.000000000000000 b -3.648340182320628 6.319110559074428 0.000000000000000 c 0.000000000000000 0.000000000000000 10.515171740000000 Atomic positions (fractional): *1 Cs 0.33333333333333 0.66666666666667 0.94177823177758 132.905 2 Cs 0.66666666666667 0.33333333333333 0.44177823177758 132.905 3 Cs 0.66666666666667 0.33333333333333 0.05822176822242 132.905 4 Cs 0.33333333333333 0.66666666666667 0.55822176822242 132.905 *5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 6 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 *7 Ge 0.37359955909755 0.13850754031421 0.75000000000000 72.640 8 Ge 0.13850754031421 0.76490798121666 0.25000000000000 72.640 9 Ge 0.23509201878334 0.37359955909755 0.25000000000000 72.640 10 Ge 0.76490798121666 0.62640044090245 0.75000000000000 72.640 11 Ge 0.86149245968579 0.23509201878334 0.75000000000000 72.640 12 Ge 0.62640044090245 0.86149245968579 0.25000000000000 72.640 *13 O 0.49135885967993 0.41858122342355 0.75000000000000 15.999 14 O 0.41858122342355 0.92722236374361 0.25000000000000 15.999 15 O 0.07277763625639 0.49135885967993 0.25000000000000 15.999 16 O 0.92722236374361 0.50864114032007 0.75000000000000 15.999 17 O 0.58141877657645 0.07277763625639 0.75000000000000 15.999 18 O 0.50864114032007 0.58141877657645 0.25000000000000 15.999 *19 O 0.24709136788339 0.02590827327253 0.89198535145342 15.999 20 O 0.02590827327253 0.77881690538915 0.39198535145342 15.999 21 O 0.22118309461085 0.24709136788339 0.39198535145342 15.999 22 O 0.77881690538915 0.75290863211661 0.89198535145342 15.999 23 O 0.97409172672747 0.22118309461085 0.89198535145342 15.999 24 O 0.75290863211661 0.97409172672747 0.39198535145342 15.999 25 O 0.75290863211661 0.97409172672747 0.10801464854658 15.999 26 O 0.97409172672747 0.22118309461085 0.60801464854658 15.999 27 O 0.77881690538915 0.75290863211661 0.60801464854658 15.999 28 O 0.22118309461085 0.24709136788339 0.10801464854658 15.999 29 O 0.02590827327253 0.77881690538915 0.10801464854658 15.999 30 O 0.24709136788339 0.02590827327253 0.60801464854658 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.296680364641255 0.000000000000000 0.000000000000000 b -3.648340182320628 6.319110559074428 0.000000000000000 c 0.000000000000000 0.000000000000000 10.515171740000000 Atomic positions (fractional): *1 Cs 0.33333333333333 0.66666666666667 0.94177823177758 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.44177823177758 132.905 > 2 3 Cs 0.66666666666667 0.33333333333333 0.05822176822242 132.905 > 3 4 Cs 0.33333333333333 0.66666666666667 0.55822176822242 132.905 > 4 *5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 5 6 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 6 *7 Ge 0.37359955909755 0.13850754031421 0.75000000000000 72.640 > 7 8 Ge 0.13850754031421 0.76490798121666 0.25000000000000 72.640 > 8 9 Ge 0.23509201878334 0.37359955909755 0.25000000000000 72.640 > 9 10 Ge 0.76490798121666 0.62640044090245 0.75000000000000 72.640 > 10 11 Ge 0.86149245968579 0.23509201878334 0.75000000000000 72.640 > 11 12 Ge 0.62640044090245 0.86149245968579 0.25000000000000 72.640 > 12 *13 O 0.49135885967993 0.41858122342355 0.75000000000000 15.999 > 13 14 O 0.41858122342355 0.92722236374361 0.25000000000000 15.999 > 14 15 O 0.07277763625639 0.49135885967993 0.25000000000000 15.999 > 15 16 O 0.92722236374361 0.50864114032007 0.75000000000000 15.999 > 16 17 O 0.58141877657645 0.07277763625639 0.75000000000000 15.999 > 17 18 O 0.50864114032007 0.58141877657645 0.25000000000000 15.999 > 18 *19 O 0.24709136788339 0.02590827327253 0.89198535145342 15.999 > 19 20 O 0.02590827327253 0.77881690538915 0.39198535145342 15.999 > 20 21 O 0.22118309461085 0.24709136788339 0.39198535145342 15.999 > 21 22 O 0.77881690538915 0.75290863211661 0.89198535145342 15.999 > 22 23 O 0.97409172672747 0.22118309461085 0.89198535145342 15.999 > 23 24 O 0.75290863211661 0.97409172672747 0.39198535145342 15.999 > 24 25 O 0.75290863211661 0.97409172672747 0.10801464854658 15.999 > 25 26 O 0.97409172672747 0.22118309461085 0.60801464854658 15.999 > 26 27 O 0.77881690538915 0.75290863211661 0.60801464854658 15.999 > 27 28 O 0.22118309461085 0.24709136788339 0.10801464854658 15.999 > 28 29 O 0.02590827327253 0.77881690538915 0.10801464854658 15.999 > 29 30 O 0.24709136788339 0.02590827327253 0.60801464854658 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.593360729282510 0.000000000000000 0.000000000000000 b -7.296680364641256 12.638221118148856 0.000000000000000 c 0.000000000000000 0.000000000000000 10.515171740000000 Atomic positions (fractional): *1 Cs 0.16666666666667 0.33333333333333 0.94177823177758 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.94177823177758 132.905 > 1 3 Cs 0.16666666666667 0.83333333333333 0.94177823177758 132.905 > 1 4 Cs 0.66666666666667 0.83333333333333 0.94177823177758 132.905 > 1 5 Cs 0.33333333333333 0.16666666666667 0.44177823177758 132.905 > 2 6 Cs 0.83333333333333 0.16666666666667 0.44177823177758 132.905 > 2 7 Cs 0.33333333333333 0.66666666666667 0.44177823177758 132.905 > 2 8 Cs 0.83333333333333 0.66666666666667 0.44177823177758 132.905 > 2 9 Cs 0.33333333333333 0.16666666666667 0.05822176822242 132.905 > 3 10 Cs 0.83333333333333 0.16666666666667 0.05822176822242 132.905 > 3 11 Cs 0.33333333333333 0.66666666666667 0.05822176822242 132.905 > 3 12 Cs 0.83333333333333 0.66666666666667 0.05822176822242 132.905 > 3 13 Cs 0.16666666666667 0.33333333333333 0.55822176822242 132.905 > 4 14 Cs 0.66666666666667 0.33333333333333 0.55822176822242 132.905 > 4 15 Cs 0.16666666666667 0.83333333333333 0.55822176822242 132.905 > 4 16 Cs 0.66666666666667 0.83333333333333 0.55822176822242 132.905 > 4 *17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 5 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 5 19 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 5 20 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 5 21 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 6 22 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 6 23 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 6 24 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 6 *25 Ge 0.18679977954878 0.06925377015711 0.75000000000000 72.640 > 7 26 Ge 0.68679977954878 0.06925377015711 0.75000000000000 72.640 > 7 27 Ge 0.18679977954878 0.56925377015711 0.75000000000000 72.640 > 7 28 Ge 0.68679977954878 0.56925377015711 0.75000000000000 72.640 > 7 29 Ge 0.06925377015711 0.38245399060833 0.25000000000000 72.640 > 8 30 Ge 0.56925377015711 0.38245399060833 0.25000000000000 72.640 > 8 31 Ge 0.06925377015711 0.88245399060833 0.25000000000000 72.640 > 8 32 Ge 0.56925377015711 0.88245399060833 0.25000000000000 72.640 > 8 33 Ge 0.11754600939167 0.18679977954878 0.25000000000000 72.640 > 9 34 Ge 0.61754600939167 0.18679977954878 0.25000000000000 72.640 > 9 35 Ge 0.11754600939167 0.68679977954878 0.25000000000000 72.640 > 9 36 Ge 0.61754600939167 0.68679977954878 0.25000000000000 72.640 > 9 37 Ge 0.38245399060833 0.31320022045122 0.75000000000000 72.640 > 10 38 Ge 0.88245399060833 0.31320022045122 0.75000000000000 72.640 > 10 39 Ge 0.38245399060833 0.81320022045122 0.75000000000000 72.640 > 10 40 Ge 0.88245399060833 0.81320022045122 0.75000000000000 72.640 > 10 41 Ge 0.43074622984289 0.11754600939167 0.75000000000000 72.640 > 11 42 Ge 0.93074622984289 0.11754600939167 0.75000000000000 72.640 > 11 43 Ge 0.43074622984289 0.61754600939167 0.75000000000000 72.640 > 11 44 Ge 0.93074622984289 0.61754600939167 0.75000000000000 72.640 > 11 45 Ge 0.31320022045122 0.43074622984289 0.25000000000000 72.640 > 12 46 Ge 0.81320022045122 0.43074622984289 0.25000000000000 72.640 > 12 47 Ge 0.31320022045122 0.93074622984289 0.25000000000000 72.640 > 12 48 Ge 0.81320022045122 0.93074622984289 0.25000000000000 72.640 > 12 *49 O 0.24567942983997 0.20929061171177 0.75000000000000 15.999 > 13 50 O 0.74567942983997 0.20929061171177 0.75000000000000 15.999 > 13 51 O 0.24567942983997 0.70929061171177 0.75000000000000 15.999 > 13 52 O 0.74567942983997 0.70929061171177 0.75000000000000 15.999 > 13 53 O 0.20929061171177 0.46361118187181 0.25000000000000 15.999 > 14 54 O 0.70929061171177 0.46361118187181 0.25000000000000 15.999 > 14 55 O 0.20929061171177 0.96361118187181 0.25000000000000 15.999 > 14 56 O 0.70929061171177 0.96361118187181 0.25000000000000 15.999 > 14 57 O 0.03638881812819 0.24567942983997 0.25000000000000 15.999 > 15 58 O 0.53638881812819 0.24567942983997 0.25000000000000 15.999 > 15 59 O 0.03638881812819 0.74567942983997 0.25000000000000 15.999 > 15 60 O 0.53638881812819 0.74567942983997 0.25000000000000 15.999 > 15 61 O 0.46361118187181 0.25432057016003 0.75000000000000 15.999 > 16 62 O 0.96361118187181 0.25432057016003 0.75000000000000 15.999 > 16 63 O 0.46361118187181 0.75432057016003 0.75000000000000 15.999 > 16 64 O 0.96361118187181 0.75432057016003 0.75000000000000 15.999 > 16 65 O 0.29070938828823 0.03638881812819 0.75000000000000 15.999 > 17 66 O 0.79070938828823 0.03638881812819 0.75000000000000 15.999 > 17 67 O 0.29070938828823 0.53638881812819 0.75000000000000 15.999 > 17 68 O 0.79070938828823 0.53638881812819 0.75000000000000 15.999 > 17 69 O 0.25432057016003 0.29070938828823 0.25000000000000 15.999 > 18 70 O 0.75432057016003 0.29070938828823 0.25000000000000 15.999 > 18 71 O 0.25432057016003 0.79070938828823 0.25000000000000 15.999 > 18 72 O 0.75432057016003 0.79070938828823 0.25000000000000 15.999 > 18 *73 O 0.12354568394169 0.01295413663627 0.89198535145342 15.999 > 19 74 O 0.62354568394169 0.01295413663627 0.89198535145342 15.999 > 19 75 O 0.12354568394169 0.51295413663627 0.89198535145342 15.999 > 19 76 O 0.62354568394169 0.51295413663627 0.89198535145342 15.999 > 19 77 O 0.01295413663627 0.38940845269457 0.39198535145342 15.999 > 20 78 O 0.51295413663627 0.38940845269457 0.39198535145342 15.999 > 20 79 O 0.01295413663627 0.88940845269457 0.39198535145342 15.999 > 20 80 O 0.51295413663627 0.88940845269457 0.39198535145342 15.999 > 20 81 O 0.11059154730543 0.12354568394169 0.39198535145342 15.999 > 21 82 O 0.61059154730543 0.12354568394169 0.39198535145342 15.999 > 21 83 O 0.11059154730543 0.62354568394169 0.39198535145342 15.999 > 21 84 O 0.61059154730543 0.62354568394169 0.39198535145342 15.999 > 21 85 O 0.38940845269457 0.37645431605831 0.89198535145342 15.999 > 22 86 O 0.88940845269457 0.37645431605831 0.89198535145342 15.999 > 22 87 O 0.38940845269457 0.87645431605831 0.89198535145342 15.999 > 22 88 O 0.88940845269457 0.87645431605831 0.89198535145342 15.999 > 22 89 O 0.48704586336373 0.11059154730543 0.89198535145342 15.999 > 23 90 O 0.98704586336373 0.11059154730543 0.89198535145342 15.999 > 23 91 O 0.48704586336373 0.61059154730543 0.89198535145342 15.999 > 23 92 O 0.98704586336373 0.61059154730543 0.89198535145342 15.999 > 23 93 O 0.37645431605831 0.48704586336373 0.39198535145342 15.999 > 24 94 O 0.87645431605831 0.48704586336373 0.39198535145342 15.999 > 24 95 O 0.37645431605831 0.98704586336373 0.39198535145342 15.999 > 24 96 O 0.87645431605831 0.98704586336373 0.39198535145342 15.999 > 24 97 O 0.37645431605831 0.48704586336373 0.10801464854658 15.999 > 25 98 O 0.87645431605831 0.48704586336373 0.10801464854658 15.999 > 25 99 O 0.37645431605831 0.98704586336373 0.10801464854658 15.999 > 25 100 O 0.87645431605831 0.98704586336373 0.10801464854658 15.999 > 25 101 O 0.48704586336373 0.11059154730543 0.60801464854658 15.999 > 26 102 O 0.98704586336373 0.11059154730543 0.60801464854658 15.999 > 26 103 O 0.48704586336373 0.61059154730543 0.60801464854658 15.999 > 26 104 O 0.98704586336373 0.61059154730543 0.60801464854658 15.999 > 26 105 O 0.38940845269457 0.37645431605831 0.60801464854658 15.999 > 27 106 O 0.88940845269457 0.37645431605831 0.60801464854658 15.999 > 27 107 O 0.38940845269457 0.87645431605831 0.60801464854658 15.999 > 27 108 O 0.88940845269457 0.87645431605831 0.60801464854658 15.999 > 27 109 O 0.11059154730543 0.12354568394169 0.10801464854658 15.999 > 28 110 O 0.61059154730543 0.12354568394169 0.10801464854658 15.999 > 28 111 O 0.11059154730543 0.62354568394169 0.10801464854658 15.999 > 28 112 O 0.61059154730543 0.62354568394169 0.10801464854658 15.999 > 28 113 O 0.01295413663627 0.38940845269457 0.10801464854658 15.999 > 29 114 O 0.51295413663627 0.38940845269457 0.10801464854658 15.999 > 29 115 O 0.01295413663627 0.88940845269457 0.10801464854658 15.999 > 29 116 O 0.51295413663627 0.88940845269457 0.10801464854658 15.999 > 29 117 O 0.12354568394169 0.01295413663627 0.60801464854658 15.999 > 30 118 O 0.62354568394169 0.01295413663627 0.60801464854658 15.999 > 30 119 O 0.12354568394169 0.51295413663627 0.60801464854658 15.999 > 30 120 O 0.62354568394169 0.51295413663627 0.60801464854658 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3062504 -0.0000029 0.0000000 0.0000029 3.3062504 0.0000000 0.0000000 0.0000000 3.4138142 -------------------------- Born effective charges -------------------------- 1 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 2 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 3 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 4 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 5 Sn 4.1967809 -0.5765079 0.0000000 0.5765079 4.1967809 0.0000000 0.0000000 0.0000000 4.8506794 6 Sn 4.1967809 -0.5765079 0.0000000 0.5765079 4.1967809 0.0000000 0.0000000 0.0000000 4.8506794 7 Ge 3.3222097 0.6111800 0.0000000 0.2408742 3.1859174 0.0000000 0.0000000 0.0000000 3.2986963 8 Ge 3.5889408 -0.0868770 0.0000000 -0.4571827 2.9191863 0.0000000 0.0000000 0.0000000 3.2986963 9 Ge 2.8510402 0.0311556 0.0000000 -0.3391501 3.6570869 0.0000000 0.0000000 0.0000000 3.2986963 10 Ge 2.8510402 0.0311556 0.0000000 -0.3391501 3.6570869 0.0000000 0.0000000 0.0000000 3.2986963 11 Ge 3.5889408 -0.0868770 0.0000000 -0.4571827 2.9191863 0.0000000 0.0000000 0.0000000 3.2986963 12 Ge 3.3222097 0.6111800 0.0000000 0.2408742 3.1859174 0.0000000 0.0000000 0.0000000 3.2986963 13 O -1.5607669 -0.5313712 0.0000000 -0.4583781 -2.8631546 0.0000000 0.0000000 0.0000000 -1.2105986 14 O -2.9661317 -0.3530097 0.0000000 -0.2800165 -1.4577898 0.0000000 0.0000000 0.0000000 -1.2105986 15 O -2.1089837 0.7748912 0.0000000 0.8478844 -2.3149379 0.0000000 0.0000000 0.0000000 -1.2105986 16 O -2.1089837 0.7748912 0.0000000 0.8478844 -2.3149379 0.0000000 0.0000000 0.0000000 -1.2105986 17 O -2.9661317 -0.3530097 0.0000000 -0.2800165 -1.4577898 0.0000000 0.0000000 0.0000000 -1.2105986 18 O -1.5607669 -0.5313712 0.0000000 -0.4583781 -2.8631546 0.0000000 0.0000000 0.0000000 -1.2105986 19 O -1.9693430 -0.2696735 0.7258962 -0.2939974 -1.4677181 0.3665591 0.5397223 0.3431274 -2.2350300 20 O -1.8372010 0.3702896 0.6803976 0.3459658 -1.5998601 -0.4453650 0.5670182 -0.2958496 -2.2350300 21 O -1.3490477 -0.0641303 0.0454986 -0.0884541 -2.0880134 0.8119241 -0.0272958 0.6389769 -2.2350300 22 O -1.3490477 -0.0641303 -0.0454986 -0.0884541 -2.0880134 -0.8119241 0.0272958 -0.6389769 -2.2350300 23 O -1.8372010 0.3702896 -0.6803976 0.3459658 -1.5998601 0.4453650 -0.5670182 0.2958496 -2.2350300 24 O -1.9693430 -0.2696735 -0.7258962 -0.2939974 -1.4677181 -0.3665591 -0.5397223 -0.3431274 -2.2350300 25 O -1.9693430 -0.2696735 0.7258962 -0.2939974 -1.4677181 0.3665591 0.5397223 0.3431274 -2.2350300 26 O -1.8372010 0.3702896 0.6803976 0.3459658 -1.5998601 -0.4453650 0.5670182 -0.2958496 -2.2350300 27 O -1.3490477 -0.0641303 0.0454986 -0.0884541 -2.0880134 0.8119241 -0.0272958 0.6389769 -2.2350300 28 O -1.3490477 -0.0641303 -0.0454986 -0.0884541 -2.0880134 -0.8119241 0.0272958 -0.6389769 -2.2350300 29 O -1.8372010 0.3702896 -0.6803976 0.3459658 -1.5998601 0.4453650 -0.5670182 0.2958496 -2.2350300 30 O -1.9693430 -0.2696735 -0.7258962 -0.2939974 -1.4677181 -0.3665591 -0.5397223 -0.3431274 -2.2350300 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 740 Use submatrix version of eigh solver. (1) Block: 500 / 740 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 740 / 740 (1) 229 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1416), data: False |-- (200, 195), data: True |-- (500, 496), data: False |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (740, 725), data: False |-- (740, 11), data: (740, 26) @ (26, 11) |-- (240, 229), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 2.051 Solver_block: 200 / 320 - Time: 2.026 Solver_block: 300 / 320 - Time: 2.018 Solver_block: 320 / 320 - Time: 0.477 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.608 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xy) -0.00000000 (xy) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 740 Use submatrix version of eigh solver. (1) Block: 500 / 740 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 740 / 740 (1) 229 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1416), data: False |-- (200, 195), data: True |-- (500, 496), data: False |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (740, 725), data: False |-- (740, 11), data: (740, 26) @ (26, 11) |-- (240, 229), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xy) -0.00000000 (xy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:59:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:59:56]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.296680364641255 0.000000000000000 0.000000000000000 b -3.648340182320628 6.319110559074428 0.000000000000000 c 0.000000000000000 0.000000000000000 10.515171740000000 Atomic positions (fractional): 1 Cs 0.33333333333333 0.66666666666667 0.94177823177758 132.905 2 Cs 0.66666666666667 0.33333333333333 0.44177823177758 132.905 3 Cs 0.66666666666667 0.33333333333333 0.05822176822242 132.905 4 Cs 0.33333333333333 0.66666666666667 0.55822176822242 132.905 5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 6 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 7 Ge 0.37359955909755 0.13850754031421 0.75000000000000 72.640 8 Ge 0.13850754031421 0.76490798121666 0.25000000000000 72.640 9 Ge 0.23509201878334 0.37359955909755 0.25000000000000 72.640 10 Ge 0.76490798121666 0.62640044090245 0.75000000000000 72.640 11 Ge 0.86149245968579 0.23509201878334 0.75000000000000 72.640 12 Ge 0.62640044090245 0.86149245968579 0.25000000000000 72.640 13 O 0.49135885967993 0.41858122342355 0.75000000000000 15.999 14 O 0.41858122342355 0.92722236374361 0.25000000000000 15.999 15 O 0.07277763625639 0.49135885967993 0.25000000000000 15.999 16 O 0.92722236374361 0.50864114032007 0.75000000000000 15.999 17 O 0.58141877657645 0.07277763625639 0.75000000000000 15.999 18 O 0.50864114032007 0.58141877657645 0.25000000000000 15.999 19 O 0.24709136788339 0.02590827327253 0.89198535145342 15.999 20 O 0.02590827327253 0.77881690538915 0.39198535145342 15.999 21 O 0.22118309461085 0.24709136788339 0.39198535145342 15.999 22 O 0.77881690538915 0.75290863211661 0.89198535145342 15.999 23 O 0.97409172672747 0.22118309461085 0.89198535145342 15.999 24 O 0.75290863211661 0.97409172672747 0.39198535145342 15.999 25 O 0.75290863211661 0.97409172672747 0.10801464854658 15.999 26 O 0.97409172672747 0.22118309461085 0.60801464854658 15.999 27 O 0.77881690538915 0.75290863211661 0.60801464854658 15.999 28 O 0.22118309461085 0.24709136788339 0.10801464854658 15.999 29 O 0.02590827327253 0.77881690538915 0.10801464854658 15.999 30 O 0.24709136788339 0.02590827327253 0.60801464854658 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.593360729282510 0.000000000000000 0.000000000000000 b -7.296680364641256 12.638221118148856 0.000000000000000 c 0.000000000000000 0.000000000000000 10.515171740000000 Atomic positions (fractional): 1 Cs 0.16666666666667 0.33333333333333 0.94177823177758 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.94177823177758 132.905 > 1 3 Cs 0.16666666666667 0.83333333333333 0.94177823177758 132.905 > 1 4 Cs 0.66666666666667 0.83333333333333 0.94177823177758 132.905 > 1 5 Cs 0.33333333333333 0.16666666666667 0.44177823177758 132.905 > 5 6 Cs 0.83333333333333 0.16666666666667 0.44177823177758 132.905 > 5 7 Cs 0.33333333333333 0.66666666666667 0.44177823177758 132.905 > 5 8 Cs 0.83333333333333 0.66666666666667 0.44177823177758 132.905 > 5 9 Cs 0.33333333333333 0.16666666666667 0.05822176822242 132.905 > 9 10 Cs 0.83333333333333 0.16666666666667 0.05822176822242 132.905 > 9 11 Cs 0.33333333333333 0.66666666666667 0.05822176822242 132.905 > 9 12 Cs 0.83333333333333 0.66666666666667 0.05822176822242 132.905 > 9 13 Cs 0.16666666666667 0.33333333333333 0.55822176822242 132.905 > 13 14 Cs 0.66666666666667 0.33333333333333 0.55822176822242 132.905 > 13 15 Cs 0.16666666666667 0.83333333333333 0.55822176822242 132.905 > 13 16 Cs 0.66666666666667 0.83333333333333 0.55822176822242 132.905 > 13 17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 17 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 17 19 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 17 20 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 17 21 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 21 22 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 21 23 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 21 24 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 21 25 Ge 0.18679977954878 0.06925377015711 0.75000000000000 72.640 > 25 26 Ge 0.68679977954878 0.06925377015711 0.75000000000000 72.640 > 25 27 Ge 0.18679977954878 0.56925377015711 0.75000000000000 72.640 > 25 28 Ge 0.68679977954878 0.56925377015711 0.75000000000000 72.640 > 25 29 Ge 0.06925377015711 0.38245399060833 0.25000000000000 72.640 > 29 30 Ge 0.56925377015711 0.38245399060833 0.25000000000000 72.640 > 29 31 Ge 0.06925377015711 0.88245399060833 0.25000000000000 72.640 > 29 32 Ge 0.56925377015711 0.88245399060833 0.25000000000000 72.640 > 29 33 Ge 0.11754600939167 0.18679977954878 0.25000000000000 72.640 > 33 34 Ge 0.61754600939167 0.18679977954878 0.25000000000000 72.640 > 33 35 Ge 0.11754600939167 0.68679977954878 0.25000000000000 72.640 > 33 36 Ge 0.61754600939167 0.68679977954878 0.25000000000000 72.640 > 33 37 Ge 0.38245399060833 0.31320022045122 0.75000000000000 72.640 > 37 38 Ge 0.88245399060833 0.31320022045122 0.75000000000000 72.640 > 37 39 Ge 0.38245399060833 0.81320022045122 0.75000000000000 72.640 > 37 40 Ge 0.88245399060833 0.81320022045122 0.75000000000000 72.640 > 37 41 Ge 0.43074622984289 0.11754600939167 0.75000000000000 72.640 > 41 42 Ge 0.93074622984289 0.11754600939167 0.75000000000000 72.640 > 41 43 Ge 0.43074622984289 0.61754600939167 0.75000000000000 72.640 > 41 44 Ge 0.93074622984289 0.61754600939167 0.75000000000000 72.640 > 41 45 Ge 0.31320022045122 0.43074622984289 0.25000000000000 72.640 > 45 46 Ge 0.81320022045122 0.43074622984289 0.25000000000000 72.640 > 45 47 Ge 0.31320022045122 0.93074622984289 0.25000000000000 72.640 > 45 48 Ge 0.81320022045122 0.93074622984289 0.25000000000000 72.640 > 45 49 O 0.24567942983997 0.20929061171177 0.75000000000000 15.999 > 49 50 O 0.74567942983997 0.20929061171177 0.75000000000000 15.999 > 49 51 O 0.24567942983997 0.70929061171177 0.75000000000000 15.999 > 49 52 O 0.74567942983997 0.70929061171177 0.75000000000000 15.999 > 49 53 O 0.20929061171177 0.46361118187181 0.25000000000000 15.999 > 53 54 O 0.70929061171177 0.46361118187181 0.25000000000000 15.999 > 53 55 O 0.20929061171177 0.96361118187181 0.25000000000000 15.999 > 53 56 O 0.70929061171177 0.96361118187181 0.25000000000000 15.999 > 53 57 O 0.03638881812819 0.24567942983997 0.25000000000000 15.999 > 57 58 O 0.53638881812819 0.24567942983997 0.25000000000000 15.999 > 57 59 O 0.03638881812819 0.74567942983997 0.25000000000000 15.999 > 57 60 O 0.53638881812819 0.74567942983997 0.25000000000000 15.999 > 57 61 O 0.46361118187181 0.25432057016003 0.75000000000000 15.999 > 61 62 O 0.96361118187181 0.25432057016003 0.75000000000000 15.999 > 61 63 O 0.46361118187181 0.75432057016003 0.75000000000000 15.999 > 61 64 O 0.96361118187181 0.75432057016003 0.75000000000000 15.999 > 61 65 O 0.29070938828823 0.03638881812819 0.75000000000000 15.999 > 65 66 O 0.79070938828823 0.03638881812819 0.75000000000000 15.999 > 65 67 O 0.29070938828823 0.53638881812819 0.75000000000000 15.999 > 65 68 O 0.79070938828823 0.53638881812819 0.75000000000000 15.999 > 65 69 O 0.25432057016003 0.29070938828823 0.25000000000000 15.999 > 69 70 O 0.75432057016003 0.29070938828823 0.25000000000000 15.999 > 69 71 O 0.25432057016003 0.79070938828823 0.25000000000000 15.999 > 69 72 O 0.75432057016003 0.79070938828823 0.25000000000000 15.999 > 69 73 O 0.12354568394169 0.01295413663627 0.89198535145342 15.999 > 73 74 O 0.62354568394169 0.01295413663627 0.89198535145342 15.999 > 73 75 O 0.12354568394169 0.51295413663627 0.89198535145342 15.999 > 73 76 O 0.62354568394169 0.51295413663627 0.89198535145342 15.999 > 73 77 O 0.01295413663627 0.38940845269457 0.39198535145342 15.999 > 77 78 O 0.51295413663627 0.38940845269457 0.39198535145342 15.999 > 77 79 O 0.01295413663627 0.88940845269457 0.39198535145342 15.999 > 77 80 O 0.51295413663627 0.88940845269457 0.39198535145342 15.999 > 77 81 O 0.11059154730543 0.12354568394169 0.39198535145342 15.999 > 81 82 O 0.61059154730543 0.12354568394169 0.39198535145342 15.999 > 81 83 O 0.11059154730543 0.62354568394169 0.39198535145342 15.999 > 81 84 O 0.61059154730543 0.62354568394169 0.39198535145342 15.999 > 81 85 O 0.38940845269457 0.37645431605831 0.89198535145342 15.999 > 85 86 O 0.88940845269457 0.37645431605831 0.89198535145342 15.999 > 85 87 O 0.38940845269457 0.87645431605831 0.89198535145342 15.999 > 85 88 O 0.88940845269457 0.87645431605831 0.89198535145342 15.999 > 85 89 O 0.48704586336373 0.11059154730543 0.89198535145342 15.999 > 89 90 O 0.98704586336373 0.11059154730543 0.89198535145342 15.999 > 89 91 O 0.48704586336373 0.61059154730543 0.89198535145342 15.999 > 89 92 O 0.98704586336373 0.61059154730543 0.89198535145342 15.999 > 89 93 O 0.37645431605831 0.48704586336373 0.39198535145342 15.999 > 93 94 O 0.87645431605831 0.48704586336373 0.39198535145342 15.999 > 93 95 O 0.37645431605831 0.98704586336373 0.39198535145342 15.999 > 93 96 O 0.87645431605831 0.98704586336373 0.39198535145342 15.999 > 93 97 O 0.37645431605831 0.48704586336373 0.10801464854658 15.999 > 97 98 O 0.87645431605831 0.48704586336373 0.10801464854658 15.999 > 97 99 O 0.37645431605831 0.98704586336373 0.10801464854658 15.999 > 97 100 O 0.87645431605831 0.98704586336373 0.10801464854658 15.999 > 97 101 O 0.48704586336373 0.11059154730543 0.60801464854658 15.999 > 101 102 O 0.98704586336373 0.11059154730543 0.60801464854658 15.999 > 101 103 O 0.48704586336373 0.61059154730543 0.60801464854658 15.999 > 101 104 O 0.98704586336373 0.61059154730543 0.60801464854658 15.999 > 101 105 O 0.38940845269457 0.37645431605831 0.60801464854658 15.999 > 105 106 O 0.88940845269457 0.37645431605831 0.60801464854658 15.999 > 105 107 O 0.38940845269457 0.87645431605831 0.60801464854658 15.999 > 105 108 O 0.88940845269457 0.87645431605831 0.60801464854658 15.999 > 105 109 O 0.11059154730543 0.12354568394169 0.10801464854658 15.999 > 109 110 O 0.61059154730543 0.12354568394169 0.10801464854658 15.999 > 109 111 O 0.11059154730543 0.62354568394169 0.10801464854658 15.999 > 109 112 O 0.61059154730543 0.62354568394169 0.10801464854658 15.999 > 109 113 O 0.01295413663627 0.38940845269457 0.10801464854658 15.999 > 113 114 O 0.51295413663627 0.38940845269457 0.10801464854658 15.999 > 113 115 O 0.01295413663627 0.88940845269457 0.10801464854658 15.999 > 113 116 O 0.51295413663627 0.88940845269457 0.10801464854658 15.999 > 113 117 O 0.12354568394169 0.01295413663627 0.60801464854658 15.999 > 117 118 O 0.62354568394169 0.01295413663627 0.60801464854658 15.999 > 117 119 O 0.12354568394169 0.51295413663627 0.60801464854658 15.999 > 117 120 O 0.62354568394169 0.51295413663627 0.60801464854658 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3062504 -0.0000029 0.0000000 0.0000029 3.3062504 0.0000000 0.0000000 0.0000000 3.4138142 -------------------------- Born effective charges -------------------------- 1 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 2 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 3 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 4 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 5 Sn 4.1967809 -0.5765079 0.0000000 0.5765079 4.1967809 0.0000000 0.0000000 0.0000000 4.8506794 6 Sn 4.1967809 -0.5765079 0.0000000 0.5765079 4.1967809 0.0000000 0.0000000 0.0000000 4.8506794 7 Ge 3.3222097 0.6111800 0.0000000 0.2408742 3.1859174 0.0000000 0.0000000 0.0000000 3.2986963 8 Ge 3.5889408 -0.0868770 0.0000000 -0.4571827 2.9191863 0.0000000 0.0000000 0.0000000 3.2986963 9 Ge 2.8510402 0.0311556 0.0000000 -0.3391501 3.6570869 0.0000000 0.0000000 0.0000000 3.2986963 10 Ge 2.8510402 0.0311556 0.0000000 -0.3391501 3.6570869 0.0000000 0.0000000 0.0000000 3.2986963 11 Ge 3.5889408 -0.0868770 0.0000000 -0.4571827 2.9191863 0.0000000 0.0000000 0.0000000 3.2986963 12 Ge 3.3222097 0.6111800 0.0000000 0.2408742 3.1859174 0.0000000 0.0000000 0.0000000 3.2986963 13 O -1.5607669 -0.5313712 0.0000000 -0.4583781 -2.8631546 0.0000000 0.0000000 0.0000000 -1.2105986 14 O -2.9661317 -0.3530097 0.0000000 -0.2800165 -1.4577898 0.0000000 0.0000000 0.0000000 -1.2105986 15 O -2.1089837 0.7748912 0.0000000 0.8478844 -2.3149379 0.0000000 0.0000000 0.0000000 -1.2105986 16 O -2.1089837 0.7748912 0.0000000 0.8478844 -2.3149379 0.0000000 0.0000000 0.0000000 -1.2105986 17 O -2.9661317 -0.3530097 0.0000000 -0.2800165 -1.4577898 0.0000000 0.0000000 0.0000000 -1.2105986 18 O -1.5607669 -0.5313712 0.0000000 -0.4583781 -2.8631546 0.0000000 0.0000000 0.0000000 -1.2105986 19 O -1.9693430 -0.2696735 0.7258962 -0.2939974 -1.4677181 0.3665591 0.5397223 0.3431274 -2.2350300 20 O -1.8372010 0.3702896 0.6803976 0.3459658 -1.5998601 -0.4453650 0.5670182 -0.2958496 -2.2350300 21 O -1.3490477 -0.0641303 0.0454986 -0.0884541 -2.0880134 0.8119241 -0.0272958 0.6389769 -2.2350300 22 O -1.3490477 -0.0641303 -0.0454986 -0.0884541 -2.0880134 -0.8119241 0.0272958 -0.6389769 -2.2350300 23 O -1.8372010 0.3702896 -0.6803976 0.3459658 -1.5998601 0.4453650 -0.5670182 0.2958496 -2.2350300 24 O -1.9693430 -0.2696735 -0.7258962 -0.2939974 -1.4677181 -0.3665591 -0.5397223 -0.3431274 -2.2350300 25 O -1.9693430 -0.2696735 0.7258962 -0.2939974 -1.4677181 0.3665591 0.5397223 0.3431274 -2.2350300 26 O -1.8372010 0.3702896 0.6803976 0.3459658 -1.5998601 -0.4453650 0.5670182 -0.2958496 -2.2350300 27 O -1.3490477 -0.0641303 0.0454986 -0.0884541 -2.0880134 0.8119241 -0.0272958 0.6389769 -2.2350300 28 O -1.3490477 -0.0641303 -0.0454986 -0.0884541 -2.0880134 -0.8119241 0.0272958 -0.6389769 -2.2350300 29 O -1.8372010 0.3702896 -0.6803976 0.3459658 -1.5998601 0.4453650 -0.5670182 0.2958496 -2.2350300 30 O -1.9693430 -0.2696735 -0.7258962 -0.2939974 -1.4677181 -0.3665591 -0.5397223 -0.3431274 -2.2350300 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000052 (yyy) -0.00000052 (yyy) -0.00000052 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000143 (xy) -0.00000143 (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 2026-01-08 10:00:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:00:18]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.296680364641255 0.000000000000000 0.000000000000000 b -3.648340182320628 6.319110559074428 0.000000000000000 c 0.000000000000000 0.000000000000000 10.515171740000000 Atomic positions (fractional): 1 Cs 0.33333333333333 0.66666666666667 0.94177823177758 132.905 2 Cs 0.66666666666667 0.33333333333333 0.44177823177758 132.905 3 Cs 0.66666666666667 0.33333333333333 0.05822176822242 132.905 4 Cs 0.33333333333333 0.66666666666667 0.55822176822242 132.905 5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 6 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 7 Ge 0.37359955909755 0.13850754031421 0.75000000000000 72.640 8 Ge 0.13850754031421 0.76490798121666 0.25000000000000 72.640 9 Ge 0.23509201878334 0.37359955909755 0.25000000000000 72.640 10 Ge 0.76490798121666 0.62640044090245 0.75000000000000 72.640 11 Ge 0.86149245968579 0.23509201878334 0.75000000000000 72.640 12 Ge 0.62640044090245 0.86149245968579 0.25000000000000 72.640 13 O 0.49135885967993 0.41858122342355 0.75000000000000 15.999 14 O 0.41858122342355 0.92722236374361 0.25000000000000 15.999 15 O 0.07277763625639 0.49135885967993 0.25000000000000 15.999 16 O 0.92722236374361 0.50864114032007 0.75000000000000 15.999 17 O 0.58141877657645 0.07277763625639 0.75000000000000 15.999 18 O 0.50864114032007 0.58141877657645 0.25000000000000 15.999 19 O 0.24709136788339 0.02590827327253 0.89198535145342 15.999 20 O 0.02590827327253 0.77881690538915 0.39198535145342 15.999 21 O 0.22118309461085 0.24709136788339 0.39198535145342 15.999 22 O 0.77881690538915 0.75290863211661 0.89198535145342 15.999 23 O 0.97409172672747 0.22118309461085 0.89198535145342 15.999 24 O 0.75290863211661 0.97409172672747 0.39198535145342 15.999 25 O 0.75290863211661 0.97409172672747 0.10801464854658 15.999 26 O 0.97409172672747 0.22118309461085 0.60801464854658 15.999 27 O 0.77881690538915 0.75290863211661 0.60801464854658 15.999 28 O 0.22118309461085 0.24709136788339 0.10801464854658 15.999 29 O 0.02590827327253 0.77881690538915 0.10801464854658 15.999 30 O 0.24709136788339 0.02590827327253 0.60801464854658 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.593360729282510 0.000000000000000 0.000000000000000 b -7.296680364641256 12.638221118148856 0.000000000000000 c 0.000000000000000 0.000000000000000 10.515171740000000 Atomic positions (fractional): 1 Cs 0.16666666666667 0.33333333333333 0.94177823177758 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.94177823177758 132.905 > 1 3 Cs 0.16666666666667 0.83333333333333 0.94177823177758 132.905 > 1 4 Cs 0.66666666666667 0.83333333333333 0.94177823177758 132.905 > 1 5 Cs 0.33333333333333 0.16666666666667 0.44177823177758 132.905 > 5 6 Cs 0.83333333333333 0.16666666666667 0.44177823177758 132.905 > 5 7 Cs 0.33333333333333 0.66666666666667 0.44177823177758 132.905 > 5 8 Cs 0.83333333333333 0.66666666666667 0.44177823177758 132.905 > 5 9 Cs 0.33333333333333 0.16666666666667 0.05822176822242 132.905 > 9 10 Cs 0.83333333333333 0.16666666666667 0.05822176822242 132.905 > 9 11 Cs 0.33333333333333 0.66666666666667 0.05822176822242 132.905 > 9 12 Cs 0.83333333333333 0.66666666666667 0.05822176822242 132.905 > 9 13 Cs 0.16666666666667 0.33333333333333 0.55822176822242 132.905 > 13 14 Cs 0.66666666666667 0.33333333333333 0.55822176822242 132.905 > 13 15 Cs 0.16666666666667 0.83333333333333 0.55822176822242 132.905 > 13 16 Cs 0.66666666666667 0.83333333333333 0.55822176822242 132.905 > 13 17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 17 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 17 19 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 17 20 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 17 21 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 21 22 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 21 23 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 21 24 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 21 25 Ge 0.18679977954878 0.06925377015711 0.75000000000000 72.640 > 25 26 Ge 0.68679977954878 0.06925377015711 0.75000000000000 72.640 > 25 27 Ge 0.18679977954878 0.56925377015711 0.75000000000000 72.640 > 25 28 Ge 0.68679977954878 0.56925377015711 0.75000000000000 72.640 > 25 29 Ge 0.06925377015711 0.38245399060833 0.25000000000000 72.640 > 29 30 Ge 0.56925377015711 0.38245399060833 0.25000000000000 72.640 > 29 31 Ge 0.06925377015711 0.88245399060833 0.25000000000000 72.640 > 29 32 Ge 0.56925377015711 0.88245399060833 0.25000000000000 72.640 > 29 33 Ge 0.11754600939167 0.18679977954878 0.25000000000000 72.640 > 33 34 Ge 0.61754600939167 0.18679977954878 0.25000000000000 72.640 > 33 35 Ge 0.11754600939167 0.68679977954878 0.25000000000000 72.640 > 33 36 Ge 0.61754600939167 0.68679977954878 0.25000000000000 72.640 > 33 37 Ge 0.38245399060833 0.31320022045122 0.75000000000000 72.640 > 37 38 Ge 0.88245399060833 0.31320022045122 0.75000000000000 72.640 > 37 39 Ge 0.38245399060833 0.81320022045122 0.75000000000000 72.640 > 37 40 Ge 0.88245399060833 0.81320022045122 0.75000000000000 72.640 > 37 41 Ge 0.43074622984289 0.11754600939167 0.75000000000000 72.640 > 41 42 Ge 0.93074622984289 0.11754600939167 0.75000000000000 72.640 > 41 43 Ge 0.43074622984289 0.61754600939167 0.75000000000000 72.640 > 41 44 Ge 0.93074622984289 0.61754600939167 0.75000000000000 72.640 > 41 45 Ge 0.31320022045122 0.43074622984289 0.25000000000000 72.640 > 45 46 Ge 0.81320022045122 0.43074622984289 0.25000000000000 72.640 > 45 47 Ge 0.31320022045122 0.93074622984289 0.25000000000000 72.640 > 45 48 Ge 0.81320022045122 0.93074622984289 0.25000000000000 72.640 > 45 49 O 0.24567942983997 0.20929061171177 0.75000000000000 15.999 > 49 50 O 0.74567942983997 0.20929061171177 0.75000000000000 15.999 > 49 51 O 0.24567942983997 0.70929061171177 0.75000000000000 15.999 > 49 52 O 0.74567942983997 0.70929061171177 0.75000000000000 15.999 > 49 53 O 0.20929061171177 0.46361118187181 0.25000000000000 15.999 > 53 54 O 0.70929061171177 0.46361118187181 0.25000000000000 15.999 > 53 55 O 0.20929061171177 0.96361118187181 0.25000000000000 15.999 > 53 56 O 0.70929061171177 0.96361118187181 0.25000000000000 15.999 > 53 57 O 0.03638881812819 0.24567942983997 0.25000000000000 15.999 > 57 58 O 0.53638881812819 0.24567942983997 0.25000000000000 15.999 > 57 59 O 0.03638881812819 0.74567942983997 0.25000000000000 15.999 > 57 60 O 0.53638881812819 0.74567942983997 0.25000000000000 15.999 > 57 61 O 0.46361118187181 0.25432057016003 0.75000000000000 15.999 > 61 62 O 0.96361118187181 0.25432057016003 0.75000000000000 15.999 > 61 63 O 0.46361118187181 0.75432057016003 0.75000000000000 15.999 > 61 64 O 0.96361118187181 0.75432057016003 0.75000000000000 15.999 > 61 65 O 0.29070938828823 0.03638881812819 0.75000000000000 15.999 > 65 66 O 0.79070938828823 0.03638881812819 0.75000000000000 15.999 > 65 67 O 0.29070938828823 0.53638881812819 0.75000000000000 15.999 > 65 68 O 0.79070938828823 0.53638881812819 0.75000000000000 15.999 > 65 69 O 0.25432057016003 0.29070938828823 0.25000000000000 15.999 > 69 70 O 0.75432057016003 0.29070938828823 0.25000000000000 15.999 > 69 71 O 0.25432057016003 0.79070938828823 0.25000000000000 15.999 > 69 72 O 0.75432057016003 0.79070938828823 0.25000000000000 15.999 > 69 73 O 0.12354568394169 0.01295413663627 0.89198535145342 15.999 > 73 74 O 0.62354568394169 0.01295413663627 0.89198535145342 15.999 > 73 75 O 0.12354568394169 0.51295413663627 0.89198535145342 15.999 > 73 76 O 0.62354568394169 0.51295413663627 0.89198535145342 15.999 > 73 77 O 0.01295413663627 0.38940845269457 0.39198535145342 15.999 > 77 78 O 0.51295413663627 0.38940845269457 0.39198535145342 15.999 > 77 79 O 0.01295413663627 0.88940845269457 0.39198535145342 15.999 > 77 80 O 0.51295413663627 0.88940845269457 0.39198535145342 15.999 > 77 81 O 0.11059154730543 0.12354568394169 0.39198535145342 15.999 > 81 82 O 0.61059154730543 0.12354568394169 0.39198535145342 15.999 > 81 83 O 0.11059154730543 0.62354568394169 0.39198535145342 15.999 > 81 84 O 0.61059154730543 0.62354568394169 0.39198535145342 15.999 > 81 85 O 0.38940845269457 0.37645431605831 0.89198535145342 15.999 > 85 86 O 0.88940845269457 0.37645431605831 0.89198535145342 15.999 > 85 87 O 0.38940845269457 0.87645431605831 0.89198535145342 15.999 > 85 88 O 0.88940845269457 0.87645431605831 0.89198535145342 15.999 > 85 89 O 0.48704586336373 0.11059154730543 0.89198535145342 15.999 > 89 90 O 0.98704586336373 0.11059154730543 0.89198535145342 15.999 > 89 91 O 0.48704586336373 0.61059154730543 0.89198535145342 15.999 > 89 92 O 0.98704586336373 0.61059154730543 0.89198535145342 15.999 > 89 93 O 0.37645431605831 0.48704586336373 0.39198535145342 15.999 > 93 94 O 0.87645431605831 0.48704586336373 0.39198535145342 15.999 > 93 95 O 0.37645431605831 0.98704586336373 0.39198535145342 15.999 > 93 96 O 0.87645431605831 0.98704586336373 0.39198535145342 15.999 > 93 97 O 0.37645431605831 0.48704586336373 0.10801464854658 15.999 > 97 98 O 0.87645431605831 0.48704586336373 0.10801464854658 15.999 > 97 99 O 0.37645431605831 0.98704586336373 0.10801464854658 15.999 > 97 100 O 0.87645431605831 0.98704586336373 0.10801464854658 15.999 > 97 101 O 0.48704586336373 0.11059154730543 0.60801464854658 15.999 > 101 102 O 0.98704586336373 0.11059154730543 0.60801464854658 15.999 > 101 103 O 0.48704586336373 0.61059154730543 0.60801464854658 15.999 > 101 104 O 0.98704586336373 0.61059154730543 0.60801464854658 15.999 > 101 105 O 0.38940845269457 0.37645431605831 0.60801464854658 15.999 > 105 106 O 0.88940845269457 0.37645431605831 0.60801464854658 15.999 > 105 107 O 0.38940845269457 0.87645431605831 0.60801464854658 15.999 > 105 108 O 0.88940845269457 0.87645431605831 0.60801464854658 15.999 > 105 109 O 0.11059154730543 0.12354568394169 0.10801464854658 15.999 > 109 110 O 0.61059154730543 0.12354568394169 0.10801464854658 15.999 > 109 111 O 0.11059154730543 0.62354568394169 0.10801464854658 15.999 > 109 112 O 0.61059154730543 0.62354568394169 0.10801464854658 15.999 > 109 113 O 0.01295413663627 0.38940845269457 0.10801464854658 15.999 > 113 114 O 0.51295413663627 0.38940845269457 0.10801464854658 15.999 > 113 115 O 0.01295413663627 0.88940845269457 0.10801464854658 15.999 > 113 116 O 0.51295413663627 0.88940845269457 0.10801464854658 15.999 > 113 117 O 0.12354568394169 0.01295413663627 0.60801464854658 15.999 > 117 118 O 0.62354568394169 0.01295413663627 0.60801464854658 15.999 > 117 119 O 0.12354568394169 0.51295413663627 0.60801464854658 15.999 > 117 120 O 0.62354568394169 0.51295413663627 0.60801464854658 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3062504 -0.0000029 0.0000000 0.0000029 3.3062504 0.0000000 0.0000000 0.0000000 3.4138142 -------------------------- Born effective charges -------------------------- 1 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 2 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 3 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 4 Cs 1.4940470 0.0287838 0.0000000 -0.0287838 1.4940470 0.0000000 0.0000000 0.0000000 1.1476037 5 Sn 4.1967809 -0.5765079 0.0000000 0.5765079 4.1967809 0.0000000 0.0000000 0.0000000 4.8506794 6 Sn 4.1967809 -0.5765079 0.0000000 0.5765079 4.1967809 0.0000000 0.0000000 0.0000000 4.8506794 7 Ge 3.3222097 0.6111800 0.0000000 0.2408742 3.1859174 0.0000000 0.0000000 0.0000000 3.2986963 8 Ge 3.5889408 -0.0868770 0.0000000 -0.4571827 2.9191863 0.0000000 0.0000000 0.0000000 3.2986963 9 Ge 2.8510402 0.0311556 0.0000000 -0.3391501 3.6570869 0.0000000 0.0000000 0.0000000 3.2986963 10 Ge 2.8510402 0.0311556 0.0000000 -0.3391501 3.6570869 0.0000000 0.0000000 0.0000000 3.2986963 11 Ge 3.5889408 -0.0868770 0.0000000 -0.4571827 2.9191863 0.0000000 0.0000000 0.0000000 3.2986963 12 Ge 3.3222097 0.6111800 0.0000000 0.2408742 3.1859174 0.0000000 0.0000000 0.0000000 3.2986963 13 O -1.5607669 -0.5313712 0.0000000 -0.4583781 -2.8631546 0.0000000 0.0000000 0.0000000 -1.2105986 14 O -2.9661317 -0.3530097 0.0000000 -0.2800165 -1.4577898 0.0000000 0.0000000 0.0000000 -1.2105986 15 O -2.1089837 0.7748912 0.0000000 0.8478844 -2.3149379 0.0000000 0.0000000 0.0000000 -1.2105986 16 O -2.1089837 0.7748912 0.0000000 0.8478844 -2.3149379 0.0000000 0.0000000 0.0000000 -1.2105986 17 O -2.9661317 -0.3530097 0.0000000 -0.2800165 -1.4577898 0.0000000 0.0000000 0.0000000 -1.2105986 18 O -1.5607669 -0.5313712 0.0000000 -0.4583781 -2.8631546 0.0000000 0.0000000 0.0000000 -1.2105986 19 O -1.9693430 -0.2696735 0.7258962 -0.2939974 -1.4677181 0.3665591 0.5397223 0.3431274 -2.2350300 20 O -1.8372010 0.3702896 0.6803976 0.3459658 -1.5998601 -0.4453650 0.5670182 -0.2958496 -2.2350300 21 O -1.3490477 -0.0641303 0.0454986 -0.0884541 -2.0880134 0.8119241 -0.0272958 0.6389769 -2.2350300 22 O -1.3490477 -0.0641303 -0.0454986 -0.0884541 -2.0880134 -0.8119241 0.0272958 -0.6389769 -2.2350300 23 O -1.8372010 0.3702896 -0.6803976 0.3459658 -1.5998601 0.4453650 -0.5670182 0.2958496 -2.2350300 24 O -1.9693430 -0.2696735 -0.7258962 -0.2939974 -1.4677181 -0.3665591 -0.5397223 -0.3431274 -2.2350300 25 O -1.9693430 -0.2696735 0.7258962 -0.2939974 -1.4677181 0.3665591 0.5397223 0.3431274 -2.2350300 26 O -1.8372010 0.3702896 0.6803976 0.3459658 -1.5998601 -0.4453650 0.5670182 -0.2958496 -2.2350300 27 O -1.3490477 -0.0641303 0.0454986 -0.0884541 -2.0880134 0.8119241 -0.0272958 0.6389769 -2.2350300 28 O -1.3490477 -0.0641303 -0.0454986 -0.0884541 -2.0880134 -0.8119241 0.0272958 -0.6389769 -2.2350300 29 O -1.8372010 0.3702896 -0.6803976 0.3459658 -1.5998601 0.4453650 -0.5670182 0.2958496 -2.2350300 30 O -1.9693430 -0.2696735 -0.7258962 -0.2939974 -1.4677181 -0.3665591 -0.5397223 -0.3431274 -2.2350300 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000052 (yyy) -0.00000052 (yyy) -0.00000052 (yyy) Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) --------------------------- 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 ... [ 8 8 5 ] 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: 0.53, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.783 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 11.856 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.679 ( 0.000 0.000 0.000) 0.000 13.874 ( 0.000 0.000 0.000) 0.000 13.962 ( 0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 14.477 ( 0.000 0.000 0.000) 0.000 14.477 ( 0.000 0.000 0.000) 0.000 21.479 ( 0.000 0.000 0.000) 0.000 21.479 ( 0.000 0.000 0.000) 0.000 22.287 ( 0.000 0.000 0.000) 0.000 22.345 ( 0.000 0.000 0.000) 0.000 22.433 ( 0.000 0.000 0.000) 0.000 22.433 ( 0.000 0.000 0.000) 0.000 22.653 ( 0.000 0.000 0.000) 0.000 22.653 ( 0.000 0.000 0.000) 0.000 23.361 ( 0.000 0.000 0.000) 0.000 23.994 ( 0.000 0.000 0.000) 0.000 23.994 ( 0.000 0.000 0.000) 0.000 24.958 ( 0.000 0.000 0.000) 0.000 25.265 ( 0.000 0.000 0.000) 0.000 25.265 ( 0.000 0.000 0.000) 0.000 25.500 ( 0.000 0.000 0.000) 0.000 25.500 ( 0.000 0.000 0.000) 0.000 25.931 ( 0.000 0.000 0.000) 0.000 26.851 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 20.614 11.896 0.000) 23.800 0.532 ( 22.726 13.094 0.000) 26.228 0.909 ( 38.773 22.392 0.000) 44.774 1.485 ( -11.811 -6.812 0.000) 13.635 1.704 ( -0.665 0.181 0.000) 0.689 1.741 ( -4.519 -4.512 0.000) 6.386 1.746 ( 0.326 0.905 0.000) 0.962 1.825 ( -0.334 0.305 0.000) 0.452 1.960 ( -1.390 -0.643 0.000) 1.531 1.986 ( 0.905 0.347 0.000) 0.969 2.022 ( -0.989 -0.506 0.000) 1.111 2.098 ( -3.947 -2.385 0.000) 4.611 2.149 ( 0.407 -0.003 0.000) 0.407 2.335 ( -3.638 -1.152 0.000) 3.816 2.412 ( 0.305 0.347 0.000) 0.462 2.412 ( 3.303 1.396 0.000) 3.586 2.566 ( -4.418 -2.532 0.000) 5.092 2.742 ( -13.959 -8.504 0.000) 16.346 3.286 ( -3.636 -1.559 0.000) 3.956 3.304 ( -3.160 -2.780 0.000) 4.209 3.351 ( -0.696 0.584 0.000) 0.908 3.613 ( 12.613 6.824 0.000) 14.340 3.853 ( 3.609 2.143 0.000) 4.198 4.025 ( 1.840 0.999 0.000) 2.093 4.156 ( -4.288 -4.245 0.000) 6.034 4.207 ( -3.853 0.947 0.000) 3.967 4.350 ( -6.248 -4.793 0.000) 7.874 4.597 ( -5.483 -2.985 0.000) 6.243 4.601 ( -0.751 -0.356 0.000) 0.831 4.616 ( 0.901 0.460 0.000) 1.012 4.683 ( -3.147 -2.548 0.000) 4.049 5.043 ( 7.352 5.366 0.000) 9.102 5.116 ( 12.221 6.451 0.000) 13.819 5.561 ( -13.839 -8.081 0.000) 16.026 5.626 ( 3.465 1.954 0.000) 3.978 5.787 ( 0.524 0.276 0.000) 0.592 5.991 ( -13.772 -8.038 0.000) 15.946 6.056 ( 1.556 1.089 0.000) 1.899 6.360 ( -4.592 -2.648 0.000) 5.301 6.769 ( 7.072 2.288 0.000) 7.433 6.813 ( -2.678 1.232 0.000) 2.947 7.093 ( 3.583 -0.081 0.000) 3.584 7.407 ( 0.891 1.266 0.000) 1.548 7.652 ( 17.212 12.623 0.000) 21.344 7.744 ( 4.815 0.476 0.000) 4.838 7.871 ( -8.381 -6.464 0.000) 10.584 7.933 ( -4.765 1.424 0.000) 4.974 8.029 ( 3.780 -4.940 0.000) 6.220 8.068 ( 0.551 4.952 0.000) 4.982 8.435 ( 3.546 1.970 0.000) 4.056 8.568 ( 3.021 1.755 0.000) 3.494 8.571 ( -1.865 -1.041 0.000) 2.136 10.109 ( -6.065 -3.516 0.000) 7.010 10.499 ( -5.922 -2.941 0.000) 6.612 10.589 ( 3.046 0.485 0.000) 3.084 10.772 ( -0.878 0.454 0.000) 0.989 11.061 ( 3.794 1.995 0.000) 4.286 11.396 ( 0.864 0.483 0.000) 0.990 11.423 ( 3.001 1.750 0.000) 3.474 11.571 ( -0.400 -0.180 0.000) 0.438 11.781 ( -2.130 -1.285 0.000) 2.488 11.829 ( -2.264 -1.294 0.000) 2.608 12.129 ( -8.134 -4.696 0.000) 9.392 12.254 ( 0.279 0.154 0.000) 0.318 12.388 ( -0.843 -0.484 0.000) 0.972 12.781 ( 6.604 3.814 0.000) 7.626 13.878 ( 0.390 0.226 0.000) 0.451 13.949 ( -0.918 -0.521 0.000) 1.056 14.448 ( -0.887 -0.173 0.000) 0.903 14.493 ( 1.070 -0.301 0.000) 1.112 14.531 ( 5.087 3.513 0.000) 6.182 15.334 ( -2.033 -1.176 0.000) 2.349 21.478 ( -0.482 0.702 0.000) 0.852 21.557 ( 6.978 3.056 0.000) 7.617 22.280 ( -0.557 -0.390 0.000) 0.680 22.331 ( -1.149 -0.656 0.000) 1.323 22.437 ( 0.292 0.205 0.000) 0.357 22.650 ( -0.182 -0.105 0.000) 0.210 22.654 ( 0.096 0.055 0.000) 0.111 23.362 ( 0.094 0.054 0.000) 0.109 23.994 ( -0.024 -0.012 0.000) 0.027 24.000 ( 0.500 0.287 0.000) 0.576 24.563 ( -2.171 -1.246 0.000) 2.504 24.903 ( -2.222 -1.636 0.000) 2.759 25.272 ( 0.067 1.145 0.000) 1.147 25.356 ( 6.302 3.034 0.000) 6.995 25.508 ( 0.850 0.244 0.000) 0.885 25.518 ( -1.568 -0.797 0.000) 1.759 25.920 ( -0.927 -0.535 0.000) 1.070 26.804 ( -3.904 -2.254 0.000) 4.507 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 13.177 7.576 0.000) 15.199 1.021 ( 19.585 11.501 0.000) 22.712 1.155 ( -11.996 -8.560 0.000) 14.737 1.643 ( -1.928 -1.384 0.000) 2.373 1.693 ( -0.880 -0.679 0.000) 1.111 1.713 ( 28.253 15.314 0.000) 32.136 1.735 ( -0.900 -1.773 0.000) 1.988 1.828 ( -0.359 1.247 0.000) 1.297 1.922 ( -1.216 0.026 0.000) 1.216 1.952 ( -7.504 -3.733 0.000) 8.382 1.995 ( -0.040 -1.451 0.000) 1.452 2.006 ( -0.601 1.653 0.000) 1.759 2.134 ( -1.351 -1.712 0.000) 2.181 2.236 ( -7.228 -0.258 0.000) 7.233 2.422 ( 1.834 -1.037 0.000) 2.107 2.461 ( -4.683 1.361 0.000) 4.877 2.522 ( 2.017 3.642 0.000) 4.163 2.527 ( 1.264 -7.616 0.000) 7.720 3.128 ( -10.951 -4.853 0.000) 11.978 3.201 ( -4.886 -3.435 0.000) 5.972 3.327 ( -1.607 -0.411 0.000) 1.659 3.700 ( -5.610 -3.891 0.000) 6.827 3.943 ( 3.023 2.487 0.000) 3.914 4.033 ( -5.151 -0.694 0.000) 5.198 4.069 ( -3.239 -1.448 0.000) 3.548 4.086 ( 3.406 1.537 0.000) 3.737 4.280 ( -0.164 -1.797 0.000) 1.805 4.556 ( -3.826 -1.550 0.000) 4.128 4.608 ( -1.829 -3.533 0.000) 3.978 4.644 ( 1.503 0.345 0.000) 1.542 4.691 ( 8.914 5.307 0.000) 10.374 5.214 ( 6.528 5.631 0.000) 8.622 5.264 ( -10.277 -7.217 0.000) 12.558 5.324 ( 5.802 3.978 0.000) 7.035 5.648 ( -15.437 -7.514 0.000) 17.169 5.709 ( 3.610 1.251 0.000) 3.820 5.799 ( 0.525 0.016 0.000) 0.526 6.064 ( -0.899 -0.473 0.000) 1.016 6.234 ( -5.405 -3.048 0.000) 6.205 6.778 ( -2.254 0.701 0.000) 2.360 6.854 ( 2.143 -1.039 0.000) 2.381 7.196 ( 6.263 1.537 0.000) 6.449 7.448 ( 1.665 2.313 0.000) 2.849 7.624 ( -11.398 -7.374 0.000) 13.575 7.835 ( 4.776 5.747 0.000) 7.473 7.892 ( -1.667 2.022 0.000) 2.621 8.048 ( 4.072 -4.957 0.000) 6.415 8.126 ( -0.040 5.358 0.000) 5.358 8.160 ( 23.570 10.200 0.000) 25.682 8.504 ( 2.449 1.028 0.000) 2.657 8.514 ( -3.202 -0.365 0.000) 3.223 8.639 ( 2.810 1.655 0.000) 3.261 9.930 ( -9.041 -5.546 0.000) 10.607 10.299 ( -11.145 -6.592 0.000) 12.948 10.662 ( 3.721 1.013 0.000) 3.856 10.790 ( 2.077 2.398 0.000) 3.173 11.158 ( 4.250 2.690 0.000) 5.030 11.421 ( 1.225 0.618 0.000) 1.372 11.502 ( 3.204 1.982 0.000) 3.767 11.557 ( -1.166 -0.363 0.000) 1.222 11.709 ( -3.859 -2.928 0.000) 4.844 11.769 ( -2.587 -1.231 0.000) 2.865 11.959 ( -5.774 -3.367 0.000) 6.684 12.262 ( 0.401 0.180 0.000) 0.440 12.363 ( -1.214 -0.677 0.000) 1.390 12.913 ( 4.365 2.537 0.000) 5.049 13.893 ( 0.869 0.531 0.000) 1.019 13.930 ( -0.579 -0.324 0.000) 0.664 14.436 ( -0.649 0.420 0.000) 0.773 14.497 ( 0.216 -1.249 0.000) 1.268 14.682 ( 7.081 4.698 0.000) 8.498 15.270 ( -3.420 -2.030 0.000) 3.977 21.477 ( -0.668 1.080 0.000) 1.270 21.753 ( 10.453 4.607 0.000) 11.423 22.262 ( -0.730 -0.817 0.000) 1.096 22.300 ( -1.464 -0.729 0.000) 1.635 22.444 ( 0.220 0.283 0.000) 0.359 22.645 ( -0.254 -0.145 0.000) 0.292 22.657 ( 0.145 0.082 0.000) 0.166 23.364 ( 0.126 0.073 0.000) 0.146 23.993 ( -0.040 -0.017 0.000) 0.044 24.015 ( 0.746 0.424 0.000) 0.858 24.467 ( -5.720 -3.382 0.000) 6.645 24.913 ( 3.639 0.906 0.000) 3.750 25.286 ( -0.499 2.336 0.000) 2.389 25.446 ( -0.991 -2.496 0.000) 2.685 25.491 ( 0.551 3.212 0.000) 3.259 25.549 ( 4.285 0.220 0.000) 4.291 25.890 ( -1.600 -0.911 0.000) 1.841 26.693 ( -5.300 -3.060 0.000) 6.120 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 3.142 -2.245 0.000) 3.861 1.206 ( 5.114 0.646 0.000) 5.155 1.407 ( 13.192 8.767 0.000) 15.839 1.613 ( -3.810 0.635 0.000) 3.862 1.678 ( 2.903 -3.826 0.000) 4.803 1.705 ( -1.843 3.429 0.000) 3.892 1.827 ( -2.738 -3.662 0.000) 4.572 1.828 ( -1.652 1.525 0.000) 2.248 1.873 ( 1.536 0.756 0.000) 1.712 1.957 ( -0.563 -0.907 0.000) 1.067 1.982 ( -3.818 0.433 0.000) 3.843 2.041 ( 0.267 -1.130 0.000) 1.161 2.058 ( -10.729 -2.336 0.000) 10.981 2.209 ( 7.106 1.531 0.000) 7.270 2.327 ( -5.898 -3.885 0.000) 7.063 2.470 ( 1.977 1.301 0.000) 2.367 2.502 ( -2.615 -4.510 0.000) 5.213 2.799 ( 16.072 14.037 0.000) 21.339 2.903 ( -5.698 -5.107 0.000) 7.652 3.090 ( -3.483 -3.232 0.000) 4.751 3.337 ( 5.252 1.655 0.000) 5.507 3.478 ( -10.903 -2.691 0.000) 11.231 3.946 ( -5.068 -3.682 0.000) 6.265 4.024 ( 2.848 0.336 0.000) 2.867 4.067 ( 0.770 0.431 0.000) 0.883 4.146 ( 1.055 2.550 0.000) 2.760 4.285 ( 0.979 1.302 0.000) 1.629 4.442 ( -5.525 -2.577 0.000) 6.097 4.537 ( -2.126 -3.736 0.000) 4.298 4.669 ( 1.251 -0.289 0.000) 1.284 4.860 ( 5.396 1.707 0.000) 5.659 5.099 ( -2.254 -4.250 0.000) 4.811 5.272 ( -3.973 0.495 0.000) 4.003 5.355 ( -11.204 -3.581 0.000) 11.762 5.504 ( 9.787 7.045 0.000) 12.059 5.756 ( 1.100 -0.832 0.000) 1.379 5.805 ( 0.120 0.195 0.000) 0.229 6.034 ( -1.231 -0.930 0.000) 1.543 6.155 ( -1.493 -0.779 0.000) 1.684 6.745 ( -2.199 0.731 0.000) 2.318 6.858 ( 1.092 -2.506 0.000) 2.733 7.296 ( 3.258 1.265 0.000) 3.495 7.372 ( -9.034 -5.864 0.000) 10.771 7.499 ( 1.484 1.760 0.000) 2.302 7.907 ( 0.662 1.779 0.000) 1.898 8.005 ( 6.960 7.472 0.000) 10.211 8.068 ( 2.337 -2.321 0.000) 3.294 8.164 ( -0.387 2.866 0.000) 2.892 8.357 ( -2.231 -7.454 0.000) 7.780 8.539 ( 1.010 0.184 0.000) 1.027 8.688 ( 1.413 0.826 0.000) 1.637 8.721 ( 17.934 14.648 0.000) 23.156 9.693 ( -11.134 -7.886 0.000) 13.643 10.043 ( -9.537 -5.293 0.000) 10.908 10.710 ( 1.074 0.544 0.000) 1.204 10.890 ( 5.389 2.668 0.000) 6.013 11.247 ( 2.717 2.854 0.000) 3.941 11.445 ( 0.872 0.362 0.000) 0.944 11.518 ( -2.424 -0.508 0.000) 2.477 11.544 ( 0.234 0.378 0.000) 0.444 11.599 ( -4.278 -4.178 0.000) 5.980 11.736 ( -0.494 -0.040 0.000) 0.495 11.888 ( -0.605 -0.431 0.000) 0.743 12.270 ( 0.302 0.077 0.000) 0.312 12.339 ( -0.881 -0.464 0.000) 0.996 12.977 ( 1.445 0.865 0.000) 1.684 13.911 ( 0.364 0.384 0.000) 0.529 13.928 ( 0.492 0.152 0.000) 0.515 14.433 ( -0.497 0.855 0.000) 0.989 14.479 ( -0.332 -1.769 0.000) 1.800 14.843 ( 6.039 4.114 0.000) 7.307 15.184 ( -3.776 -2.393 0.000) 4.470 21.477 ( -0.463 0.833 0.000) 0.953 21.964 ( 8.097 3.626 0.000) 8.871 22.242 ( -0.571 -0.966 0.000) 1.122 22.272 ( -1.022 -0.315 0.000) 1.069 22.449 ( 0.062 0.241 0.000) 0.249 22.640 ( -0.178 -0.100 0.000) 0.204 22.660 ( 0.109 0.061 0.000) 0.125 23.367 ( 0.084 0.048 0.000) 0.097 23.992 ( -0.033 -0.011 0.000) 0.035 24.031 ( 0.557 0.313 0.000) 0.639 24.339 ( -4.576 -2.780 0.000) 5.355 25.019 ( 6.513 1.591 0.000) 6.705 25.289 ( -3.738 3.875 0.000) 5.384 25.365 ( -1.884 -4.683 0.000) 5.048 25.529 ( 0.424 1.928 0.000) 1.974 25.633 ( 3.910 0.452 0.000) 3.936 25.852 ( -1.592 -0.831 0.000) 1.796 26.586 ( -3.605 -2.081 0.000) 4.163 ======================= Grid point 4 (5/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 0.000 0.000) 0.000 1.161 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.610 ( -0.000 -0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.764 ( -0.000 -0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.090 ( -0.000 -0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.271 ( -0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 -0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 -0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.663 ( -0.000 -0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 -0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.687 ( -0.000 -0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 -0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 8.078 ( 0.000 -0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.203 ( -0.000 -0.000 0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 10.721 ( 0.000 0.000 0.000) 0.000 10.964 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.500 ( 0.000 0.000 0.000) 0.000 11.516 ( -0.000 -0.000 0.000) 0.000 11.542 ( 0.000 0.000 0.000) 0.000 11.735 ( 0.000 0.000 0.000) 0.000 11.890 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.328 ( 0.000 0.000 0.000) 0.000 12.992 ( 0.000 0.000 0.000) 0.000 13.914 ( 0.000 0.000 0.000) 0.000 13.937 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 14.932 ( 0.000 0.000 0.000) 0.000 15.124 ( 0.000 0.000 0.000) 0.000 21.477 ( 0.000 0.000 0.000) 0.000 22.060 ( 0.000 0.000 0.000) 0.000 22.229 ( 0.000 0.000 0.000) 0.000 22.262 ( 0.000 0.000 0.000) 0.000 22.451 ( 0.000 0.000 0.000) 0.000 22.638 ( 0.000 0.000 0.000) 0.000 22.661 ( 0.000 0.000 0.000) 0.000 23.368 ( 0.000 0.000 0.000) 0.000 23.992 ( 0.000 0.000 0.000) 0.000 24.037 ( 0.000 0.000 0.000) 0.000 24.282 ( 0.000 0.000 0.000) 0.000 25.117 ( 0.000 0.000 0.000) 0.000 25.234 ( -0.000 0.000 0.000) 0.000 25.335 ( 0.000 0.000 0.000) 0.000 25.543 ( 0.000 0.000 0.000) 0.000 25.672 ( 0.000 0.000 0.000) 0.000 25.831 ( 0.000 0.000 0.000) 0.000 26.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/36) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 9.850 17.114 0.000) 19.747 0.904 ( 12.325 21.198 0.000) 24.520 1.263 ( -9.031 -14.142 0.000) 16.779 1.519 ( 19.019 33.492 0.000) 38.516 1.598 ( -3.945 -6.621 0.000) 7.707 1.701 ( -0.779 -0.994 0.000) 1.263 1.771 ( -0.579 1.327 0.000) 1.448 1.831 ( 1.358 -0.079 0.000) 1.361 1.952 ( -0.009 -1.466 0.000) 1.466 1.968 ( -1.313 -0.844 0.000) 1.561 2.015 ( 0.488 -0.090 0.000) 0.497 2.018 ( -3.432 -5.903 0.000) 6.829 2.143 ( -1.307 -0.960 0.000) 1.622 2.258 ( -0.589 -7.474 0.000) 7.497 2.431 ( -0.890 -0.908 0.000) 1.271 2.446 ( -0.830 2.537 0.000) 2.669 2.486 ( 1.017 -2.818 0.000) 2.996 2.578 ( -5.677 -4.117 0.000) 7.013 3.195 ( -4.506 -6.938 0.000) 8.273 3.217 ( -2.230 -6.558 0.000) 6.927 3.382 ( 1.413 1.558 0.000) 2.103 3.682 ( -3.094 -2.909 0.000) 4.247 3.913 ( 2.293 3.024 0.000) 3.795 4.045 ( -1.775 -3.797 0.000) 4.191 4.068 ( 1.528 3.303 0.000) 3.640 4.124 ( -0.082 -4.784 0.000) 4.785 4.406 ( -1.222 -0.568 0.000) 1.347 4.488 ( -5.264 -3.571 0.000) 6.361 4.575 ( -1.029 -2.588 0.000) 2.785 4.635 ( 0.375 1.283 0.000) 1.336 4.635 ( 2.992 4.037 0.000) 5.025 5.233 ( 7.013 6.775 0.000) 9.751 5.254 ( 4.155 9.804 0.000) 10.648 5.327 ( -8.288 -12.960 0.000) 15.384 5.681 ( 1.145 2.908 0.000) 3.125 5.703 ( -6.879 -13.201 0.000) 14.885 5.850 ( -0.468 -0.593 0.000) 0.755 6.057 ( -0.391 -0.883 0.000) 0.966 6.268 ( -3.336 -5.852 0.000) 6.736 6.716 ( -2.590 -4.966 0.000) 5.601 6.929 ( 4.007 6.453 0.000) 7.596 7.148 ( 1.198 6.530 0.000) 6.639 7.469 ( 2.202 2.352 0.000) 3.221 7.706 ( -6.651 -9.839 0.000) 11.876 7.766 ( 5.392 3.604 0.000) 6.486 7.916 ( 3.958 -4.208 0.000) 5.777 7.989 ( -6.291 2.894 0.000) 6.925 8.023 ( 10.112 22.216 0.000) 24.409 8.133 ( 3.735 1.684 0.000) 4.097 8.494 ( 1.680 3.440 0.000) 3.829 8.535 ( -0.891 -2.549 0.000) 2.700 8.619 ( 1.693 2.869 0.000) 3.331 9.984 ( -5.081 -8.496 0.000) 9.899 10.350 ( -6.404 -10.898 0.000) 12.640 10.649 ( 1.000 3.959 0.000) 4.084 10.785 ( 2.320 1.541 0.000) 2.785 11.130 ( 2.595 4.490 0.000) 5.186 11.415 ( 0.697 1.327 0.000) 1.499 11.480 ( 2.138 3.541 0.000) 4.136 11.558 ( -0.480 -1.174 0.000) 1.268 11.735 ( -2.233 -3.112 0.000) 3.830 11.784 ( -1.569 -3.033 0.000) 3.414 11.985 ( -4.790 -8.265 0.000) 9.552 12.277 ( 1.167 2.086 0.000) 2.391 12.371 ( -0.656 -1.168 0.000) 1.339 12.879 ( 2.717 4.686 0.000) 5.417 13.888 ( 0.467 0.785 0.000) 0.913 13.935 ( -0.408 -0.739 0.000) 0.844 14.458 ( 1.664 -1.844 0.000) 2.484 14.475 ( -2.265 1.694 0.000) 2.829 14.642 ( 4.420 6.747 0.000) 8.066 15.290 ( -1.834 -3.124 0.000) 3.623 21.506 ( 2.459 0.934 0.000) 2.631 21.667 ( 3.154 8.747 0.000) 9.299 22.264 ( -0.965 -1.197 0.000) 1.538 22.310 ( -0.692 -1.299 0.000) 1.472 22.437 ( -0.091 -0.381 0.000) 0.392 22.647 ( -0.118 -0.207 0.000) 0.239 22.655 ( 0.053 0.094 0.000) 0.108 23.364 ( 0.074 0.128 0.000) 0.147 23.994 ( 0.037 0.054 0.000) 0.065 24.009 ( 0.357 0.629 0.000) 0.723 24.572 ( 0.240 0.342 0.000) 0.418 24.804 ( -3.194 -4.132 0.000) 5.222 25.354 ( 5.123 0.658 0.000) 5.165 25.400 ( -1.100 4.606 0.000) 4.736 25.486 ( -0.146 -2.235 0.000) 2.240 25.535 ( 0.314 2.809 0.000) 2.826 25.900 ( -0.823 -1.435 0.000) 1.654 26.725 ( -3.042 -5.269 0.000) 6.084 ======================= Grid point 11 (7/36) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -9.444 -0.084 0.000) 9.444 1.097 ( 7.663 2.867 0.000) 8.182 1.306 ( 12.417 15.326 0.000) 19.725 1.550 ( 4.122 -3.799 0.000) 5.606 1.663 ( -2.152 -2.283 0.000) 3.137 1.768 ( -1.400 2.282 0.000) 2.678 1.850 ( -0.189 -0.161 0.000) 0.248 1.850 ( -3.003 0.107 0.000) 3.005 1.901 ( -2.780 -0.632 0.000) 2.851 1.946 ( 0.200 -2.508 0.000) 2.516 2.000 ( 2.985 0.581 0.000) 3.041 2.062 ( -3.351 1.794 0.000) 3.801 2.106 ( 4.071 0.224 0.000) 4.077 2.176 ( -2.447 -6.333 0.000) 6.789 2.322 ( -4.988 -10.455 0.000) 11.584 2.480 ( 4.818 10.865 0.000) 11.886 2.489 ( -2.494 -0.039 0.000) 2.494 2.660 ( 12.921 10.258 0.000) 16.497 3.022 ( -11.531 -7.140 0.000) 13.562 3.075 ( -0.759 -5.490 0.000) 5.542 3.393 ( -3.575 4.690 0.000) 5.897 3.601 ( -1.360 -1.556 0.000) 2.066 3.958 ( 0.282 -1.383 0.000) 1.411 4.034 ( -3.538 0.203 0.000) 3.544 4.059 ( 0.119 0.299 0.000) 0.322 4.124 ( 1.866 0.715 0.000) 1.998 4.292 ( -2.847 -0.415 0.000) 2.877 4.437 ( 1.756 -9.059 0.000) 9.227 4.511 ( -3.435 -2.602 0.000) 4.309 4.645 ( 0.172 -0.310 0.000) 0.355 4.779 ( 5.385 1.876 0.000) 5.703 5.077 ( -5.848 -10.475 0.000) 11.997 5.359 ( 0.239 7.292 0.000) 7.296 5.446 ( -7.043 -10.656 0.000) 12.773 5.453 ( 6.885 8.229 0.000) 10.729 5.700 ( 1.306 -1.990 0.000) 2.380 5.867 ( -1.607 5.325 0.000) 5.562 6.032 ( -0.372 -2.207 0.000) 2.238 6.174 ( -2.096 -2.417 0.000) 3.199 6.620 ( 0.410 -10.234 0.000) 10.242 7.001 ( -3.630 9.425 0.000) 10.100 7.283 ( 5.161 6.334 0.000) 8.171 7.478 ( -9.293 -6.920 0.000) 11.586 7.506 ( -0.675 2.921 0.000) 2.998 7.929 ( 8.954 3.668 0.000) 9.676 7.933 ( -0.437 0.305 0.000) 0.533 7.971 ( 3.269 -0.688 0.000) 3.341 8.183 ( 0.850 0.368 0.000) 0.927 8.312 ( 0.695 2.410 0.000) 2.508 8.546 ( 0.531 3.028 0.000) 3.074 8.617 ( 11.767 12.619 0.000) 17.254 8.670 ( 1.653 1.210 0.000) 2.049 9.782 ( -8.567 -8.725 0.000) 12.228 10.092 ( -8.148 -13.453 0.000) 15.729 10.709 ( 1.518 3.059 0.000) 3.415 10.853 ( 2.456 3.402 0.000) 4.196 11.236 ( 3.890 5.223 0.000) 6.513 11.441 ( 0.652 1.343 0.000) 1.493 11.527 ( -0.990 -2.836 0.000) 3.004 11.541 ( 1.254 1.593 0.000) 2.027 11.645 ( -4.661 -2.840 0.000) 5.458 11.733 ( -0.714 -2.399 0.000) 2.503 11.849 ( -1.483 -6.682 0.000) 6.844 12.327 ( -0.315 5.556 0.000) 5.565 12.349 ( -0.687 -0.107 0.000) 0.695 12.941 ( 1.922 -0.297 0.000) 1.945 13.908 ( 0.782 1.022 0.000) 1.287 13.926 ( -0.122 -0.078 0.000) 0.145 14.449 ( -0.361 -1.584 0.000) 1.625 14.464 ( -0.477 0.459 0.000) 0.662 14.795 ( 5.442 6.095 0.000) 8.171 15.215 ( -3.037 -3.372 0.000) 4.539 21.547 ( -1.570 5.242 0.000) 5.472 21.842 ( 8.712 4.692 0.000) 9.895 22.227 ( -0.883 -2.721 0.000) 2.860 22.288 ( -0.772 -0.413 0.000) 0.876 22.425 ( 0.269 -2.393 0.000) 2.408 22.643 ( -0.192 -0.051 0.000) 0.199 22.657 ( 0.126 -0.041 0.000) 0.132 23.366 ( 0.081 0.105 0.000) 0.132 23.996 ( -0.082 0.281 0.000) 0.293 24.023 ( 0.569 0.300 0.000) 0.643 24.505 ( -10.547 6.635 0.000) 12.461 24.827 ( 10.745 -6.361 0.000) 12.486 25.351 ( -2.259 -6.899 0.000) 7.260 25.401 ( -2.942 6.079 0.000) 6.753 25.543 ( 5.963 -0.027 0.000) 5.963 25.565 ( -0.589 3.453 0.000) 3.503 25.867 ( -1.237 -1.316 0.000) 1.807 26.618 ( -3.437 -4.133 0.000) 5.376 ======================= Grid point 12 (8/36) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 6.841 12.687 0.000) 14.414 1.188 ( 0.631 -0.026 0.000) 0.632 1.547 ( 0.814 -7.755 0.000) 7.797 1.610 ( 7.452 10.354 0.000) 12.757 1.627 ( 1.642 -1.488 0.000) 2.216 1.752 ( -5.007 -3.638 0.000) 6.189 1.759 ( -2.128 1.223 0.000) 2.455 1.806 ( -1.240 -4.442 0.000) 4.611 1.903 ( -9.003 -1.667 0.000) 9.156 1.925 ( 0.093 -2.066 0.000) 2.068 1.974 ( -3.219 -0.581 0.000) 3.271 2.023 ( 1.096 -0.990 0.000) 1.477 2.061 ( 3.504 6.929 0.000) 7.764 2.147 ( 4.919 -5.826 0.000) 7.625 2.204 ( 0.815 -8.162 0.000) 8.203 2.408 ( -5.384 -3.300 0.000) 6.315 2.635 ( -2.948 13.581 0.000) 13.898 2.820 ( -1.584 -5.090 0.000) 5.331 2.891 ( 2.451 -3.948 0.000) 4.647 3.223 ( 3.472 17.111 0.000) 17.460 3.422 ( 11.022 4.202 0.000) 11.796 3.545 ( -10.131 9.946 0.000) 14.197 3.818 ( -12.049 -8.444 0.000) 14.713 4.039 ( 2.764 1.013 0.000) 2.944 4.074 ( 0.313 0.175 0.000) 0.359 4.122 ( 1.352 -6.375 0.000) 6.517 4.314 ( 3.957 0.990 0.000) 4.079 4.358 ( 1.091 -10.524 0.000) 10.581 4.438 ( -3.917 2.843 0.000) 4.840 4.651 ( 1.919 -1.394 0.000) 2.372 4.817 ( 4.437 -8.726 0.000) 9.789 4.957 ( 3.040 -8.974 0.000) 9.475 5.278 ( -4.032 -3.607 0.000) 5.410 5.356 ( -7.506 8.419 0.000) 11.279 5.647 ( 5.771 5.580 0.000) 8.027 5.709 ( 1.373 -2.903 0.000) 3.211 5.883 ( -3.646 6.557 0.000) 7.503 6.015 ( 0.124 -0.525 0.000) 0.539 6.142 ( -0.304 -0.735 0.000) 0.796 6.546 ( 4.710 -12.486 0.000) 13.345 7.022 ( -5.159 10.731 0.000) 11.906 7.299 ( -5.202 -1.489 0.000) 5.411 7.400 ( 0.450 6.293 0.000) 6.309 7.511 ( -1.266 1.802 0.000) 2.202 7.938 ( -0.359 1.096 0.000) 1.153 8.025 ( 3.430 -1.226 0.000) 3.642 8.114 ( 8.178 -0.540 0.000) 8.196 8.175 ( -0.405 -1.805 0.000) 1.850 8.236 ( -4.031 -1.397 0.000) 4.266 8.573 ( -0.822 2.994 0.000) 3.105 8.697 ( 0.823 -0.051 0.000) 0.825 9.007 ( 11.388 13.576 0.000) 17.720 9.520 ( -9.896 -8.238 0.000) 12.876 9.876 ( -0.987 -11.236 0.000) 11.279 10.746 ( -0.730 2.860 0.000) 2.952 10.928 ( 3.277 0.454 0.000) 3.308 11.339 ( -0.192 6.207 0.000) 6.210 11.461 ( 0.067 1.272 0.000) 1.274 11.482 ( 0.138 -2.836 0.000) 2.839 11.540 ( -3.683 -1.313 0.000) 3.910 11.548 ( -0.657 -0.103 0.000) 0.665 11.714 ( 0.933 -2.317 0.000) 2.498 11.806 ( 3.117 -6.286 0.000) 7.016 12.329 ( -0.372 -0.188 0.000) 0.417 12.382 ( -3.626 9.561 0.000) 10.226 12.950 ( 2.053 -3.904 0.000) 4.411 13.920 ( -0.312 0.556 0.000) 0.637 13.934 ( 0.576 0.417 0.000) 0.711 14.425 ( -0.177 -1.837 0.000) 1.846 14.466 ( 0.106 0.643 0.000) 0.652 14.926 ( 2.970 3.903 0.000) 4.904 15.131 ( -2.316 -2.700 0.000) 3.557 21.556 ( -4.319 6.957 0.000) 8.189 22.019 ( 6.664 2.087 0.000) 6.983 22.184 ( 0.572 -5.098 0.000) 5.130 22.277 ( -0.592 0.499 0.000) 0.774 22.402 ( 1.339 -4.363 0.000) 4.564 22.640 ( -0.167 0.130 0.000) 0.212 22.659 ( 0.151 -0.185 0.000) 0.238 23.368 ( 0.024 0.058 0.000) 0.063 23.997 ( -0.232 0.447 0.000) 0.504 24.032 ( 0.420 -0.165 0.000) 0.452 24.412 ( -8.513 9.400 0.000) 12.682 24.982 ( 11.652 -2.885 0.000) 12.004 25.207 ( -3.886 -10.323 0.000) 11.030 25.411 ( -2.638 5.604 0.000) 6.194 25.572 ( -1.724 1.955 0.000) 2.607 25.631 ( 4.016 -0.450 0.000) 4.041 25.838 ( -0.848 -0.490 0.000) 0.980 26.544 ( -1.233 -1.920 0.000) 2.282 ======================= Grid point 13 (9/36) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -12.196 3.620 0.000) 12.722 1.220 ( 1.504 1.340 0.000) 2.014 1.505 ( 4.060 -4.954 0.000) 6.405 1.569 ( -11.124 -1.996 0.000) 11.302 1.621 ( 3.115 -4.526 0.000) 5.494 1.737 ( 3.568 -2.450 0.000) 4.328 1.778 ( -0.461 4.984 0.000) 5.005 1.804 ( 4.760 4.263 0.000) 6.390 1.871 ( 4.352 2.461 0.000) 4.999 1.919 ( 1.918 -1.828 0.000) 2.650 1.957 ( 0.257 0.733 0.000) 0.777 2.033 ( 1.277 -0.189 0.000) 1.291 2.036 ( -9.158 -2.516 0.000) 9.498 2.178 ( 5.062 -6.472 0.000) 8.216 2.255 ( 5.760 1.002 0.000) 5.846 2.405 ( 7.772 1.404 0.000) 7.898 2.638 ( -10.736 11.189 0.000) 15.507 2.844 ( -2.620 -5.872 0.000) 6.430 2.856 ( 7.281 -0.105 0.000) 7.281 3.184 ( -11.987 0.083 0.000) 11.988 3.490 ( -12.066 -1.691 0.000) 12.184 3.494 ( -6.821 11.234 0.000) 13.142 3.833 ( 15.945 7.582 0.000) 17.656 4.066 ( -1.257 0.453 0.000) 1.336 4.071 ( -0.238 -0.656 0.000) 0.698 4.076 ( 2.625 -6.962 0.000) 7.441 4.264 ( 0.302 -5.608 0.000) 5.616 4.433 ( 6.730 -1.811 0.000) 6.970 4.433 ( -0.856 3.816 0.000) 3.911 4.670 ( 1.009 -1.005 0.000) 1.424 4.817 ( 6.476 -9.669 0.000) 11.637 4.984 ( 8.752 -6.947 0.000) 11.174 5.251 ( 2.807 1.498 0.000) 3.181 5.332 ( -5.583 10.493 0.000) 11.886 5.620 ( -8.108 -3.539 0.000) 8.847 5.737 ( 2.218 -1.238 0.000) 2.540 5.877 ( -3.979 5.859 0.000) 7.083 6.020 ( 0.544 0.036 0.000) 0.545 6.142 ( 0.709 -0.103 0.000) 0.717 6.546 ( 8.232 -10.005 0.000) 12.956 7.036 ( -5.576 10.225 0.000) 11.646 7.306 ( 4.423 4.105 0.000) 6.034 7.407 ( -4.891 2.600 0.000) 5.539 7.503 ( -1.948 2.349 0.000) 3.052 7.923 ( -2.018 -0.228 0.000) 2.031 8.040 ( -5.111 -7.421 0.000) 9.011 8.051 ( 1.705 -2.437 0.000) 2.975 8.156 ( 0.015 -0.928 0.000) 0.929 8.326 ( 6.438 3.353 0.000) 7.259 8.577 ( -1.880 2.317 0.000) 2.983 8.697 ( -0.375 -0.759 0.000) 0.846 8.952 ( -19.275 -4.980 0.000) 19.908 9.561 ( 11.982 6.136 0.000) 13.462 9.866 ( 10.161 -5.604 0.000) 11.604 10.744 ( -2.111 1.876 0.000) 2.824 10.938 ( -1.540 -2.214 0.000) 2.697 11.313 ( -6.044 2.195 0.000) 6.430 11.463 ( -1.037 0.716 0.000) 1.260 11.473 ( 1.822 -1.124 0.000) 2.141 11.544 ( 0.234 0.275 0.000) 0.361 11.569 ( 3.860 3.306 0.000) 5.082 11.711 ( 1.341 -2.381 0.000) 2.733 11.807 ( 3.955 -5.743 0.000) 6.973 12.329 ( 0.469 0.162 0.000) 0.496 12.382 ( -6.546 8.021 0.000) 10.353 12.949 ( 2.331 -3.758 0.000) 4.422 13.918 ( -0.507 0.332 0.000) 0.606 13.936 ( -0.500 -0.092 0.000) 0.509 14.416 ( 0.664 -0.862 0.000) 1.089 14.479 ( 0.742 0.493 0.000) 0.891 14.917 ( -5.276 -0.919 0.000) 5.355 15.136 ( 3.587 0.798 0.000) 3.675 21.541 ( -4.760 6.183 0.000) 7.803 22.036 ( -4.540 -3.225 0.000) 5.568 22.187 ( 4.778 -3.314 0.000) 5.814 22.276 ( -0.238 0.837 0.000) 0.870 22.398 ( 2.940 -3.573 0.000) 4.627 22.640 ( -0.032 0.207 0.000) 0.210 22.659 ( 0.086 -0.221 0.000) 0.237 23.368 ( -0.062 0.009 0.000) 0.062 23.997 ( -0.278 0.418 0.000) 0.502 24.032 ( -0.060 -0.439 0.000) 0.443 24.414 ( -3.765 12.099 0.000) 12.671 25.014 ( -3.413 -12.391 0.000) 12.853 25.163 ( 9.478 -0.708 0.000) 9.504 25.422 ( -2.236 5.302 0.000) 5.754 25.543 ( -2.327 -0.496 0.000) 2.379 25.660 ( -0.053 -1.205 0.000) 1.206 25.836 ( 0.775 0.450 0.000) 0.896 26.544 ( 2.279 0.108 0.000) 2.282 ======================= Grid point 14 (10/36) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -1.128 5.120 0.000) 5.243 1.129 ( -4.749 -6.445 0.000) 8.006 1.295 ( -18.535 -2.380 0.000) 18.688 1.529 ( 3.364 -4.699 0.000) 5.779 1.669 ( 2.567 0.534 0.000) 2.622 1.791 ( -1.222 1.148 0.000) 1.677 1.813 ( 2.963 3.042 0.000) 4.246 1.896 ( 2.089 3.249 0.000) 3.862 1.898 ( -0.025 2.427 0.000) 2.427 1.933 ( 0.987 -4.464 0.000) 4.572 1.969 ( -0.811 0.743 0.000) 1.100 2.065 ( -1.810 1.166 0.000) 2.153 2.084 ( 10.075 2.168 0.000) 10.306 2.134 ( -4.316 -3.678 0.000) 5.671 2.357 ( 6.747 -0.900 0.000) 6.806 2.519 ( -9.826 1.388 0.000) 9.923 2.535 ( 4.712 -1.185 0.000) 4.859 2.588 ( -13.404 -3.703 0.000) 13.906 3.033 ( 8.943 5.646 0.000) 10.576 3.079 ( 4.769 -2.429 0.000) 5.352 3.405 ( -3.959 4.595 0.000) 6.065 3.558 ( 5.630 3.249 0.000) 6.500 3.955 ( -0.426 -1.253 0.000) 1.323 4.036 ( -2.154 1.423 0.000) 2.582 4.063 ( 0.594 0.332 0.000) 0.680 4.114 ( 0.911 -0.206 0.000) 0.934 4.285 ( 4.069 1.974 0.000) 4.522 4.489 ( 5.303 -6.985 0.000) 8.770 4.495 ( 4.279 2.315 0.000) 4.865 4.660 ( -0.645 -1.057 0.000) 1.239 4.781 ( -4.262 -4.747 0.000) 6.379 5.108 ( 11.228 -2.258 0.000) 11.453 5.344 ( -5.959 7.111 0.000) 9.277 5.414 ( -9.484 -2.533 0.000) 9.816 5.418 ( 13.462 2.784 0.000) 13.747 5.727 ( -0.174 -3.127 0.000) 3.132 5.864 ( -3.362 4.085 0.000) 5.290 6.035 ( 1.755 -0.894 0.000) 1.970 6.172 ( 3.128 0.693 0.000) 3.204 6.617 ( 8.234 -4.987 0.000) 9.627 7.019 ( -6.582 6.498 0.000) 9.249 7.298 ( -7.226 -2.320 0.000) 7.589 7.489 ( 10.623 4.092 0.000) 11.384 7.493 ( -2.611 3.409 0.000) 4.294 7.881 ( -6.561 -3.564 0.000) 7.467 7.886 ( -1.372 0.524 0.000) 1.469 8.038 ( 1.077 -5.171 0.000) 5.282 8.150 ( -1.649 2.106 0.000) 2.675 8.419 ( -0.222 -7.305 0.000) 7.309 8.534 ( -19.297 2.623 0.000) 19.475 8.552 ( -2.865 0.726 0.000) 2.956 8.669 ( -1.880 -0.821 0.000) 2.051 9.796 ( 10.612 2.118 0.000) 10.821 10.091 ( 16.251 0.426 0.000) 16.257 10.712 ( -2.726 0.078 0.000) 2.727 10.854 ( -5.327 -0.620 0.000) 5.363 11.222 ( -5.518 0.117 0.000) 5.519 11.443 ( -1.561 -0.001 0.000) 1.561 11.520 ( 3.157 0.010 0.000) 3.157 11.538 ( -1.854 -0.103 0.000) 1.857 11.666 ( 3.889 1.570 0.000) 4.194 11.726 ( 2.652 -0.482 0.000) 2.696 11.851 ( 6.454 -2.121 0.000) 6.794 12.330 ( -5.341 3.181 0.000) 6.217 12.347 ( 1.098 0.373 0.000) 1.160 12.941 ( -0.686 -1.789 0.000) 1.916 13.906 ( -1.069 -0.039 0.000) 1.069 13.927 ( -0.077 -0.026 0.000) 0.081 14.428 ( 0.910 0.604 0.000) 1.092 14.492 ( 0.545 -0.820 0.000) 0.985 14.786 ( -7.917 -1.164 0.000) 8.003 15.217 ( 4.297 0.804 0.000) 4.372 21.522 ( -3.632 4.566 0.000) 5.834 21.867 ( -8.657 -5.745 0.000) 10.390 22.233 ( 2.840 -1.019 0.000) 3.017 22.287 ( 0.681 0.592 0.000) 0.903 22.421 ( 2.059 -1.259 0.000) 2.413 22.643 ( 0.142 0.143 0.000) 0.201 22.657 ( -0.028 -0.131 0.000) 0.134 23.366 ( -0.131 -0.018 0.000) 0.133 23.996 ( -0.199 0.218 0.000) 0.295 24.023 ( -0.548 -0.349 0.000) 0.649 24.506 ( -0.485 12.189 0.000) 12.199 24.843 ( -0.149 -13.641 0.000) 13.642 25.300 ( 4.165 3.282 0.000) 5.303 25.444 ( -0.495 4.099 0.000) 4.129 25.487 ( -2.323 -2.924 0.000) 3.735 25.610 ( -3.442 -1.861 0.000) 3.913 25.866 ( 1.823 0.467 0.000) 1.882 26.618 ( 5.298 0.910 0.000) 5.376 ======================= Grid point 19 (11/36) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -3.252 10.943 0.000) 11.416 1.156 ( 6.316 7.438 0.000) 9.758 1.464 ( -0.883 -5.758 0.000) 5.825 1.562 ( 7.533 9.742 0.000) 12.314 1.614 ( -2.212 -3.499 0.000) 4.140 1.750 ( 1.000 -5.730 0.000) 5.816 1.815 ( -1.665 0.944 0.000) 1.914 1.844 ( -5.433 -0.564 0.000) 5.462 1.888 ( 1.079 -2.905 0.000) 3.098 1.983 ( 1.568 -1.317 0.000) 2.048 1.992 ( 3.684 -6.242 0.000) 7.248 1.997 ( 2.961 1.092 0.000) 3.156 2.037 ( -2.516 -1.935 0.000) 3.174 2.071 ( -3.831 -3.059 0.000) 4.903 2.163 ( -9.355 -2.621 0.000) 9.715 2.465 ( -0.488 -2.300 0.000) 2.351 2.756 ( 2.442 7.499 0.000) 7.886 2.830 ( -8.772 -11.361 0.000) 14.354 2.856 ( 10.409 11.763 0.000) 15.707 3.118 ( 9.237 10.783 0.000) 14.198 3.488 ( -1.463 5.296 0.000) 5.495 3.684 ( 8.761 7.754 0.000) 11.699 3.896 ( -5.444 -5.666 0.000) 7.857 4.027 ( -1.265 -9.848 0.000) 9.929 4.041 ( -2.446 0.802 0.000) 2.574 4.072 ( 0.345 0.573 0.000) 0.669 4.197 ( -0.344 -4.181 0.000) 4.195 4.389 ( -4.102 0.939 0.000) 4.208 4.493 ( 1.877 1.057 0.000) 2.154 4.636 ( -2.407 -0.497 0.000) 2.458 4.688 ( -4.708 -10.628 0.000) 11.624 4.885 ( -5.941 -8.218 0.000) 10.141 5.279 ( -1.883 -5.474 0.000) 5.788 5.524 ( 2.949 5.809 0.000) 6.514 5.562 ( 7.141 5.097 0.000) 8.773 5.681 ( -2.266 0.762 0.000) 2.391 5.980 ( 4.989 3.828 0.000) 6.289 5.998 ( -2.079 0.897 0.000) 2.265 6.142 ( -0.718 -1.224 0.000) 1.419 6.427 ( -5.326 -8.864 0.000) 10.341 7.160 ( 2.371 5.933 0.000) 6.389 7.353 ( -3.686 -5.448 0.000) 6.578 7.366 ( 1.135 1.303 0.000) 1.728 7.606 ( 3.680 7.427 0.000) 8.289 7.930 ( 2.067 1.061 0.000) 2.323 7.969 ( 4.074 0.317 0.000) 4.087 8.004 ( -0.706 2.114 0.000) 2.229 8.155 ( -0.521 -2.646 0.000) 2.697 8.309 ( -5.246 -1.327 0.000) 5.411 8.606 ( 1.279 2.598 0.000) 2.896 8.684 ( 0.171 0.236 0.000) 0.291 8.935 ( 13.564 17.664 0.000) 22.271 9.620 ( -7.413 -7.001 0.000) 10.197 9.791 ( -7.723 -16.112 0.000) 17.867 10.771 ( 2.046 3.098 0.000) 3.713 10.902 ( -0.083 1.103 0.000) 1.106 11.359 ( 5.669 6.755 0.000) 8.818 11.461 ( -1.554 -2.937 0.000) 3.323 11.471 ( 0.735 1.614 0.000) 1.774 11.553 ( 0.020 -0.576 0.000) 0.576 11.603 ( -3.340 -1.784 0.000) 3.786 11.673 ( -0.994 -3.457 0.000) 3.597 11.738 ( -2.387 -3.886 0.000) 4.561 12.331 ( -0.332 -0.555 0.000) 0.647 12.484 ( 4.722 8.256 0.000) 9.511 12.894 ( -2.336 -4.119 0.000) 4.736 13.926 ( 0.802 0.449 0.000) 0.919 13.931 ( -0.071 0.767 0.000) 0.770 14.411 ( -0.389 -1.487 0.000) 1.537 14.475 ( -0.718 0.041 0.000) 0.719 14.913 ( 3.799 5.661 0.000) 6.817 15.142 ( -2.508 -3.869 0.000) 4.610 21.660 ( 5.095 5.651 0.000) 7.609 21.940 ( 0.627 5.007 0.000) 5.046 22.151 ( -2.817 -5.047 0.000) 5.780 22.285 ( 0.071 0.175 0.000) 0.189 22.364 ( -1.499 -3.104 0.000) 3.447 22.643 ( 0.050 0.080 0.000) 0.095 22.655 ( -0.088 -0.148 0.000) 0.172 23.368 ( 0.043 0.076 0.000) 0.087 24.003 ( 0.252 0.416 0.000) 0.486 24.026 ( -0.013 -0.002 0.000) 0.014 24.669 ( 3.606 4.402 0.000) 5.691 24.746 ( -0.292 3.311 0.000) 3.324 25.175 ( -4.607 -10.576 0.000) 11.536 25.492 ( -0.662 2.826 0.000) 2.903 25.542 ( 4.982 0.712 0.000) 5.033 25.624 ( -1.675 1.713 0.000) 2.396 25.843 ( -0.458 -0.951 0.000) 1.056 26.546 ( -1.612 -2.792 0.000) 3.223 ======================= Grid point 20 (12/36) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.749 3.651 0.000) 3.727 1.307 ( 2.377 0.848 0.000) 2.524 1.451 ( -0.311 7.121 0.000) 7.128 1.539 ( -3.067 -4.993 0.000) 5.860 1.671 ( 0.296 -5.524 0.000) 5.532 1.690 ( -1.802 -1.064 0.000) 2.093 1.788 ( 0.014 5.956 0.000) 5.956 1.826 ( 2.080 3.665 0.000) 4.214 1.870 ( -5.531 -0.904 0.000) 5.604 1.876 ( 0.783 -3.097 0.000) 3.194 1.972 ( -1.582 0.527 0.000) 1.668 2.003 ( 1.900 -0.361 0.000) 1.934 2.012 ( 7.466 -9.183 0.000) 11.835 2.036 ( 2.741 -4.697 0.000) 5.439 2.215 ( -0.419 3.520 0.000) 3.545 2.426 ( -5.154 6.329 0.000) 8.162 2.670 ( 6.697 -9.358 0.000) 11.507 2.790 ( -0.007 -0.339 0.000) 0.339 3.019 ( -9.451 18.179 0.000) 20.489 3.361 ( -6.487 -8.164 0.000) 10.428 3.525 ( 12.999 2.674 0.000) 13.271 3.721 ( -6.236 5.201 0.000) 8.120 3.795 ( -8.528 11.402 0.000) 14.238 3.943 ( 3.825 -9.740 0.000) 10.464 4.054 ( 2.592 0.093 0.000) 2.594 4.063 ( -0.166 -1.719 0.000) 1.727 4.220 ( -2.380 0.394 0.000) 2.412 4.357 ( 3.170 2.651 0.000) 4.132 4.519 ( -3.408 4.401 0.000) 5.566 4.534 ( 7.457 -16.680 0.000) 18.271 4.618 ( 2.678 -2.105 0.000) 3.407 4.792 ( 3.648 -6.114 0.000) 7.120 5.232 ( 0.191 -0.982 0.000) 1.001 5.550 ( -5.804 9.039 0.000) 10.742 5.666 ( 0.604 -1.711 0.000) 1.815 5.689 ( 1.207 -1.015 0.000) 1.577 5.979 ( -0.809 1.001 0.000) 1.287 6.071 ( -4.181 7.438 0.000) 8.533 6.124 ( 0.519 -0.827 0.000) 0.976 6.313 ( 6.139 -10.398 0.000) 12.075 7.215 ( -4.289 8.159 0.000) 9.217 7.290 ( 0.175 0.005 0.000) 0.175 7.374 ( 2.684 -5.157 0.000) 5.814 7.703 ( -6.670 12.550 0.000) 14.212 7.952 ( -0.522 0.411 0.000) 0.664 7.977 ( 3.517 -9.365 0.000) 10.004 8.034 ( -0.538 1.870 0.000) 1.946 8.115 ( 1.584 -3.459 0.000) 3.804 8.275 ( 0.992 1.244 0.000) 1.591 8.635 ( -1.472 2.677 0.000) 3.055 8.684 ( 0.687 -1.229 0.000) 1.408 9.235 ( -8.656 8.137 0.000) 11.880 9.440 ( 3.934 2.475 0.000) 4.647 9.618 ( 6.281 -14.080 0.000) 15.417 10.813 ( -2.253 3.539 0.000) 4.196 10.901 ( 1.958 -2.737 0.000) 3.366 11.424 ( -0.458 -0.150 0.000) 0.482 11.485 ( -4.592 4.426 0.000) 6.378 11.494 ( -0.892 1.824 0.000) 2.030 11.537 ( 0.354 -1.005 0.000) 1.065 11.538 ( 1.886 1.805 0.000) 2.611 11.638 ( 2.523 -5.336 0.000) 5.902 11.701 ( 1.950 -3.271 0.000) 3.808 12.325 ( 0.052 -0.086 0.000) 0.101 12.593 ( -5.841 10.168 0.000) 11.726 12.828 ( 4.366 -7.608 0.000) 8.772 13.932 ( -0.461 0.544 0.000) 0.713 13.940 ( 0.121 0.030 0.000) 0.125 14.397 ( 0.319 -0.751 0.000) 0.816 14.471 ( 0.235 -0.073 0.000) 0.246 14.995 ( -2.055 2.930 0.000) 3.579 15.080 ( 1.659 -2.375 0.000) 2.897 21.737 ( -6.900 10.471 0.000) 12.540 22.007 ( 7.333 -8.650 0.000) 11.340 22.065 ( -0.855 -0.891 0.000) 1.235 22.291 ( -0.456 0.875 0.000) 0.987 22.328 ( 1.231 -2.379 0.000) 2.679 22.645 ( -0.174 0.298 0.000) 0.345 22.653 ( 0.189 -0.324 0.000) 0.375 23.369 ( -0.015 0.027 0.000) 0.031 24.008 ( -0.389 0.664 0.000) 0.770 24.025 ( 0.326 -0.554 0.000) 0.643 24.660 ( -8.393 14.293 0.000) 16.575 24.936 ( 8.717 -4.399 0.000) 9.764 24.966 ( -0.055 -10.500 0.000) 10.500 25.505 ( -1.542 3.599 0.000) 3.916 25.584 ( -2.328 -0.384 0.000) 2.360 25.620 ( 2.615 -0.863 0.000) 2.754 25.834 ( -0.039 -0.004 0.000) 0.039 26.517 ( 0.432 -0.748 0.000) 0.864 ======================= Grid point 73 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 0.000 27.145) 27.145 0.505 ( 0.000 -0.000 27.145) 27.145 0.969 ( 0.000 -0.000 46.495) 46.495 1.647 ( 0.000 0.000 -6.932) 6.932 1.647 ( 0.000 -0.000 -6.932) 6.932 1.657 ( 0.000 0.000 1.723) 1.723 1.915 ( -0.000 0.000 5.812) 5.812 1.915 ( -0.000 0.000 5.812) 5.812 1.978 ( 0.000 0.000 0.338) 0.338 1.978 ( 0.000 0.000 0.338) 0.338 2.002 ( 0.000 0.000 -2.521) 2.521 2.135 ( 0.000 0.000 -0.796) 0.796 2.340 ( 0.000 0.000 4.485) 4.485 2.404 ( -0.000 0.000 2.181) 2.181 2.404 ( 0.000 0.000 2.181) 2.181 2.559 ( 0.000 0.000 17.727) 17.727 2.559 ( -0.000 0.000 17.727) 17.727 2.987 ( 0.000 0.000 -19.207) 19.207 2.987 ( 0.000 0.000 -19.207) 19.207 2.993 ( 0.000 -0.000 -6.041) 6.041 3.534 ( -0.000 0.000 4.576) 4.576 3.534 ( -0.000 -0.000 4.576) 4.576 3.837 ( -0.000 0.000 3.589) 3.589 4.062 ( -0.000 -0.000 5.638) 5.638 4.197 ( 0.000 0.000 -1.468) 1.468 4.197 ( -0.000 0.000 -1.468) 1.468 4.453 ( -0.000 -0.000 -3.995) 3.995 4.502 ( 0.000 -0.000 -8.310) 8.310 4.502 ( 0.000 -0.000 -8.310) 8.310 4.846 ( -0.000 0.000 1.423) 1.423 4.846 ( 0.000 0.000 1.423) 1.423 4.867 ( 0.000 0.000 3.255) 3.255 4.867 ( 0.000 0.000 3.255) 3.255 5.050 ( -0.000 0.000 -35.837) 35.837 5.868 ( -0.000 0.000 8.950) 8.950 5.868 ( 0.000 0.000 8.950) 8.950 6.258 ( 0.000 -0.000 5.796) 5.796 6.449 ( -0.000 0.000 27.403) 27.403 6.574 ( 0.000 0.000 -7.426) 7.426 6.574 ( 0.000 0.000 -7.426) 7.426 6.792 ( 0.000 0.000 -3.586) 3.586 7.414 ( 0.000 -0.000 2.142) 2.142 7.414 ( -0.000 0.000 2.142) 2.142 7.664 ( 0.000 -0.000 -4.401) 4.401 7.664 ( -0.000 -0.000 -4.401) 4.401 7.706 ( 0.000 0.000 -9.440) 9.440 8.000 ( 0.000 0.000 0.589) 0.589 8.000 ( 0.000 -0.000 0.589) 0.589 8.017 ( 0.000 -0.000 -0.063) 0.063 8.017 ( 0.000 0.000 -0.063) 0.063 8.437 ( 0.000 0.000 5.628) 5.628 8.941 ( 0.000 -0.000 -7.842) 7.842 10.271 ( 0.000 0.000 8.300) 8.300 10.581 ( -0.000 0.000 2.104) 2.104 10.581 ( -0.000 0.000 2.104) 2.104 10.745 ( 0.000 0.000 -3.987) 3.987 10.900 ( 0.000 -0.000 -8.579) 8.579 10.900 ( 0.000 0.000 -8.579) 8.579 11.543 ( 0.000 0.000 12.976) 12.976 11.543 ( 0.000 0.000 12.976) 12.976 11.800 ( 0.000 0.000 -0.460) 0.460 11.842 ( 0.000 0.000 -1.388) 1.388 12.196 ( 0.000 0.000 -5.751) 5.751 12.196 ( 0.000 0.000 -5.751) 5.751 12.665 ( -0.000 0.000 0.896) 0.896 12.683 ( 0.000 -0.000 0.406) 0.406 13.883 ( -0.000 -0.000 0.963) 0.963 13.955 ( -0.000 0.000 -0.753) 0.753 14.466 ( 0.000 0.000 0.134) 0.134 14.466 ( 0.000 -0.000 0.134) 0.134 14.476 ( 0.000 0.000 -0.102) 0.102 14.476 ( 0.000 0.000 -0.102) 0.102 21.526 ( -0.000 0.000 4.941) 4.941 21.526 ( 0.000 0.000 4.941) 4.941 22.176 ( 0.000 -0.000 -16.406) 16.406 22.176 ( 0.000 0.000 -16.406) 16.406 22.293 ( -0.000 -0.000 0.574) 0.574 22.340 ( -0.000 0.000 -0.558) 0.558 22.940 ( 0.000 -0.000 19.497) 19.497 22.940 ( 0.000 -0.000 19.497) 19.497 23.899 ( 0.000 0.000 -9.624) 9.624 23.899 ( 0.000 0.000 -9.624) 9.624 24.999 ( 0.000 0.000 4.355) 4.355 25.298 ( -0.000 0.000 3.196) 3.196 25.298 ( 0.000 0.000 3.196) 3.196 25.485 ( 0.000 0.000 -1.629) 1.629 25.485 ( 0.000 0.000 -1.629) 1.629 25.592 ( 0.000 0.000 -15.178) 15.178 26.201 ( 0.000 0.000 15.177) 15.177 26.807 ( -0.000 0.000 -4.659) 4.659 ======================= Grid point 74 (14/36) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 15.094 8.651 17.174) 24.446 0.768 ( 16.715 9.691 16.974) 25.718 1.250 ( 21.573 12.507 30.935) 39.735 1.482 ( -9.452 -5.463 -1.597) 11.033 1.653 ( 0.603 0.143 -6.079) 6.110 1.728 ( 1.433 1.049 -1.322) 2.214 1.864 ( -4.229 -2.685 8.153) 9.569 1.898 ( -1.559 -0.846 4.239) 4.595 1.961 ( -1.630 -0.414 0.292) 1.706 1.975 ( 0.054 -1.029 -0.322) 1.080 1.990 ( -0.004 0.773 -0.349) 0.849 2.137 ( -0.111 -0.200 -1.280) 1.300 2.211 ( -5.509 -3.464 10.947) 12.735 2.402 ( -0.419 -0.320 2.537) 2.592 2.438 ( 0.919 0.814 0.484) 1.319 2.524 ( -3.551 -1.494 15.180) 15.661 2.616 ( 0.310 0.594 11.861) 11.880 2.709 ( -9.650 -6.590 -3.640) 12.240 2.974 ( -1.584 -0.646 -18.457) 18.536 3.164 ( 3.220 1.496 -10.572) 11.152 3.529 ( -1.262 0.025 4.887) 5.047 3.604 ( 5.215 2.494 -3.727) 6.878 3.859 ( 1.329 0.824 0.813) 1.762 4.004 ( -3.614 -2.019 -0.932) 4.243 4.172 ( -3.592 -4.646 -2.864) 6.534 4.253 ( -9.914 4.228 -2.563) 11.079 4.274 ( 2.930 -5.399 0.554) 6.168 4.459 ( -1.549 -1.075 -6.952) 7.203 4.579 ( 0.955 1.115 -2.530) 2.925 4.702 ( -1.521 -2.319 2.892) 4.007 4.735 ( -2.667 -1.969 5.244) 6.204 4.955 ( -0.172 1.850 -13.726) 13.851 5.084 ( 10.233 4.776 -3.260) 11.753 5.147 ( 6.824 4.224 -17.907) 19.623 5.772 ( -6.838 -3.883 8.694) 11.723 5.885 ( 1.467 0.656 9.732) 9.864 6.021 ( -14.692 -8.348 3.150) 17.189 6.395 ( -4.076 -2.366 21.790) 22.294 6.493 ( -6.153 -3.326 3.335) 7.748 6.709 ( 6.864 2.249 -5.752) 9.233 6.786 ( -0.586 1.484 -2.011) 2.567 7.173 ( -7.595 -5.372 4.918) 10.523 7.426 ( 0.856 0.966 2.063) 2.434 7.656 ( 15.720 11.215 0.713) 19.323 7.695 ( 3.955 0.596 -4.520) 6.035 7.883 ( -3.023 1.591 -4.581) 5.714 7.900 ( -4.031 -7.620 1.071) 8.687 8.003 ( -1.519 3.440 -1.885) 4.207 8.043 ( 2.607 -1.190 -0.515) 2.911 8.285 ( 11.418 6.688 -10.398) 16.829 8.495 ( 4.071 2.314 5.920) 7.548 8.842 ( -5.185 -2.993 6.007) 8.481 10.070 ( -8.598 -4.976 0.378) 9.941 10.478 ( -8.612 -4.672 -2.591) 10.135 10.610 ( 3.018 0.703 2.202) 3.801 10.751 ( 0.079 1.094 -1.574) 1.918 10.947 ( 4.072 1.880 -8.726) 9.811 11.078 ( 4.498 2.758 -16.758) 17.569 11.568 ( 1.955 1.205 11.931) 12.150 11.710 ( 5.555 3.157 7.115) 9.563 11.766 ( -2.820 -1.648 -1.214) 3.484 11.834 ( 1.136 0.672 1.715) 2.164 12.123 ( -4.988 -2.972 -1.088) 5.907 12.203 ( 0.546 0.382 -5.351) 5.392 12.521 ( -6.815 -3.913 7.848) 11.106 12.758 ( 5.081 2.917 -2.308) 6.297 13.885 ( 0.278 0.161 0.713) 0.782 13.943 ( -0.819 -0.468 -0.649) 1.145 14.453 ( -0.718 -0.157 0.457) 0.865 14.489 ( 0.791 -0.105 -0.404) 0.894 14.538 ( 5.647 3.565 0.818) 6.728 14.914 ( 17.474 10.084 -22.719) 30.384 21.525 ( -0.312 0.333 4.900) 4.921 21.606 ( 7.041 3.533 5.358) 9.527 22.173 ( -0.292 -0.202 -16.233) 16.237 22.285 ( -0.629 -0.325 0.509) 0.872 22.330 ( -0.756 -0.437 -0.901) 1.254 22.485 ( 15.217 8.790 -27.950) 33.015 22.943 ( 0.255 0.146 19.589) 19.591 22.970 ( 2.625 1.522 10.271) 10.710 23.893 ( -0.554 -0.326 -10.173) 10.193 23.904 ( 0.426 0.254 -9.618) 9.631 24.929 ( -5.652 -3.263 5.479) 8.521 25.200 ( -15.260 -9.230 12.910) 22.016 25.304 ( 0.364 0.508 3.166) 3.227 25.389 ( 4.052 2.762 1.795) 5.222 25.493 ( 0.857 0.205 -1.623) 1.846 25.545 ( -2.016 -1.171 0.927) 2.509 26.012 ( -6.125 -3.540 14.694) 16.309 26.754 ( -4.349 -2.511 -5.301) 7.302 ======================= Grid point 75 (15/36) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 11.884 5.362 5.795) 14.268 1.130 ( 13.636 7.720 14.616) 21.428 1.270 ( -5.220 -1.604 10.047) 11.435 1.657 ( 0.784 0.207 -4.430) 4.504 1.669 ( 3.575 2.743 1.893) 4.887 1.748 ( 1.692 -0.779 1.475) 2.376 1.833 ( 3.216 1.102 7.395) 8.139 1.859 ( 0.654 0.852 -0.079) 1.077 1.922 ( -2.303 0.436 0.376) 2.374 1.971 ( 0.203 -1.861 -0.637) 1.978 1.995 ( -1.079 0.971 -0.708) 1.615 2.079 ( -5.485 -1.589 8.267) 10.048 2.124 ( 1.690 -1.784 7.499) 7.891 2.336 ( -8.289 -1.101 7.312) 11.108 2.430 ( 0.461 -0.865 2.082) 2.301 2.502 ( 3.564 2.765 2.482) 5.148 2.564 ( -3.076 1.561 10.089) 10.663 2.648 ( 4.739 -3.991 9.992) 11.757 2.903 ( -5.484 -1.681 -13.240) 14.429 3.177 ( -0.207 -1.926 -0.604) 2.029 3.467 ( -5.460 -0.460 5.913) 8.061 3.688 ( 1.183 0.110 -9.087) 9.164 3.842 ( -0.982 -3.958 -7.310) 8.371 3.947 ( -3.228 1.886 -6.429) 7.437 4.045 ( -1.279 -4.706 -3.147) 5.804 4.081 ( -11.820 0.011 1.985) 11.986 4.243 ( 0.906 -1.028 -4.951) 5.137 4.529 ( 4.063 -0.377 -4.495) 6.070 4.562 ( -2.915 -0.098 -1.162) 3.140 4.679 ( -1.672 -2.658 -0.484) 3.178 4.751 ( 5.148 0.712 4.422) 6.824 4.981 ( 2.146 3.270 -10.323) 11.039 5.233 ( 1.843 2.823 -5.900) 6.795 5.309 ( 7.521 3.862 -7.725) 11.452 5.620 ( -7.389 -4.338 3.853) 9.395 5.708 ( -10.115 -5.901 2.436) 11.961 5.923 ( 1.285 1.261 11.371) 11.513 6.285 ( -4.287 -4.652 11.541) 13.161 6.349 ( -6.729 -1.604 10.678) 12.723 6.777 ( 6.087 -8.453 -2.775) 10.779 6.800 ( -4.451 8.667 -1.784) 9.905 7.170 ( 4.063 1.615 -2.627) 5.101 7.459 ( 1.368 1.202 1.742) 2.520 7.675 ( -8.949 -5.789 4.079) 11.412 7.796 ( 5.092 4.203 -3.871) 7.654 7.861 ( -0.659 0.273 -4.408) 4.466 8.017 ( 5.215 0.517 -2.758) 5.922 8.060 ( 0.983 5.443 -3.750) 6.683 8.145 ( 16.377 5.879 0.016) 17.400 8.455 ( 4.152 2.656 -4.988) 7.013 8.595 ( 4.764 2.664 7.232) 9.061 8.739 ( -3.875 -2.012 7.535) 8.708 9.885 ( -8.086 -4.987 -3.316) 10.062 10.225 ( -12.719 -7.230 -7.420) 16.404 10.682 ( 3.398 1.084 2.078) 4.127 10.788 ( 3.011 2.310 0.161) 3.799 11.043 ( 3.191 2.533 -9.501) 10.337 11.150 ( 3.480 1.623 -13.837) 14.360 11.607 ( -0.071 0.424 6.657) 6.671 11.678 ( -4.811 -1.983 -1.556) 5.432 11.708 ( -1.127 -1.796 4.801) 5.248 11.915 ( 3.164 2.343 12.905) 13.492 12.015 ( -3.261 -2.777 4.605) 6.288 12.219 ( 0.638 0.601 -4.551) 4.635 12.402 ( -4.117 -2.276 4.207) 6.311 12.861 ( 3.382 1.904 -5.377) 6.631 13.897 ( 0.773 0.468 0.441) 1.005 13.928 ( -0.396 -0.222 -0.299) 0.543 14.442 ( -0.597 0.312 0.608) 0.907 14.492 ( 0.089 -0.998 -0.542) 1.140 14.697 ( 7.267 4.622 1.648) 8.769 15.114 ( 2.746 1.541 -13.058) 13.432 21.523 ( -0.530 0.752 4.809) 4.896 21.809 ( 10.609 4.963 6.089) 13.201 22.162 ( -0.486 -0.476 -15.546) 15.561 22.267 ( -0.991 -0.366 0.353) 1.114 22.310 ( -0.913 -0.521 -1.789) 2.075 22.698 ( 4.831 2.760 -5.713) 7.974 22.950 ( 0.380 0.223 19.862) 19.866 23.041 ( 2.845 1.733 -10.119) 10.654 23.872 ( -1.201 -0.719 -11.732) 11.815 23.916 ( 0.585 0.377 -9.589) 9.614 24.737 ( -8.883 -5.462 14.556) 17.906 25.033 ( -0.208 -0.549 8.698) 8.718 25.318 ( 0.283 0.765 3.146) 3.250 25.474 ( -1.207 -1.185 1.945) 2.578 25.485 ( -0.961 2.750 -0.051) 2.913 25.540 ( 4.260 -0.170 -0.824) 4.342 25.931 ( -2.176 -1.282 6.528) 7.000 26.632 ( -5.667 -3.271 -6.369) 9.131 ======================= Grid point 76 (16/36) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 5.050 -0.604 14.986) 15.826 1.320 ( 3.308 0.561 10.137) 10.678 1.451 ( 9.964 8.020 6.290) 14.254 1.640 ( -1.464 -0.620 -2.965) 3.365 1.695 ( -2.112 3.140 1.230) 3.979 1.740 ( -0.337 -2.758 4.474) 5.266 1.798 ( 0.599 -0.447 -2.808) 2.906 1.842 ( -3.385 -1.781 1.315) 4.045 1.907 ( -2.648 -2.428 -2.472) 4.361 1.938 ( -2.234 1.054 -0.898) 2.628 1.969 ( -2.727 0.407 3.381) 4.363 2.001 ( -0.902 -1.523 -2.520) 3.079 2.156 ( -5.231 -0.792 7.146) 8.891 2.211 ( 4.296 -2.720 3.977) 6.455 2.450 ( -3.835 2.859 2.781) 5.533 2.470 ( -0.322 -3.858 12.117) 12.720 2.662 ( -1.857 -2.757 11.227) 11.709 2.711 ( 0.238 1.479 -6.344) 6.519 2.932 ( 16.671 9.575 5.555) 20.011 3.130 ( -2.904 -1.845 5.568) 6.545 3.419 ( 4.310 -1.807 6.611) 8.096 3.604 ( -9.557 -0.188 6.666) 11.653 3.807 ( -0.725 -0.654 -12.862) 12.899 3.906 ( -7.493 -5.879 -11.509) 14.939 3.923 ( 0.923 2.009 -14.083) 14.256 4.051 ( -0.662 1.541 -1.311) 2.129 4.257 ( 0.981 1.440 -1.937) 2.606 4.499 ( -3.502 -0.316 -1.124) 3.692 4.536 ( 0.645 -5.017 -3.641) 6.232 4.605 ( -2.610 -2.295 -10.399) 10.964 4.859 ( 6.786 -0.455 6.025) 9.086 5.070 ( 1.974 3.874 -0.938) 4.448 5.209 ( -5.023 -0.531 -3.759) 6.296 5.372 ( -6.762 -3.746 -0.731) 7.765 5.526 ( 6.488 5.314 -0.502) 8.401 5.614 ( -0.987 -0.930 -5.283) 5.454 5.941 ( 0.007 0.188 11.536) 11.537 6.173 ( -3.640 -4.582 7.466) 9.486 6.250 ( -3.279 -0.038 8.828) 9.418 6.790 ( 7.078 -11.427 -2.507) 13.673 6.801 ( -6.094 10.851 1.940) 12.595 7.246 ( 1.916 1.738 -4.207) 4.939 7.428 ( -5.051 -4.278 4.501) 8.004 7.544 ( -0.371 0.351 4.469) 4.498 7.845 ( 0.163 0.340 -5.438) 5.451 7.960 ( 5.339 3.953 -7.568) 10.070 8.080 ( 3.101 -1.167 1.116) 3.496 8.115 ( 1.579 6.699 -0.300) 6.889 8.400 ( 4.499 -5.355 0.604) 7.020 8.506 ( 0.729 4.137 -0.445) 4.225 8.663 ( -0.331 -0.048 -1.140) 1.188 8.789 ( 10.380 7.493 4.219) 13.479 9.677 ( -9.576 -6.895 -1.206) 11.862 9.960 ( -9.198 -4.694 -7.889) 12.996 10.726 ( 0.953 0.656 1.647) 2.013 10.898 ( 6.164 1.883 0.924) 6.511 11.086 ( -0.523 2.304 -12.096) 12.325 11.247 ( 4.930 1.873 -9.861) 11.183 11.550 ( -3.448 -2.490 -0.300) 4.264 11.577 ( -4.640 -1.232 -1.629) 5.070 11.698 ( 0.095 -0.958 10.924) 10.967 11.938 ( -1.198 1.074 10.767) 10.887 12.004 ( 2.634 -0.530 13.861) 14.119 12.233 ( 0.363 0.431 -3.963) 4.003 12.328 ( -2.454 -1.244 -0.532) 2.802 12.907 ( 0.950 0.506 -7.220) 7.300 13.914 ( 0.422 0.375 0.312) 0.645 13.928 ( 0.486 0.178 -0.024) 0.518 14.438 ( -0.477 0.694 0.488) 0.973 14.475 ( -0.379 -1.510 -0.398) 1.607 14.854 ( 5.661 3.751 1.213) 6.898 15.118 ( -1.443 -1.000 -6.133) 6.380 21.522 ( -0.385 0.626 4.716) 4.773 22.024 ( 8.207 3.689 6.437) 11.063 22.149 ( -0.330 -0.552 -14.597) 14.611 22.246 ( -1.098 -0.214 0.331) 1.166 22.293 ( -0.515 -0.263 -3.068) 3.122 22.764 ( 1.626 0.836 9.391) 9.567 22.958 ( 0.274 0.183 20.198) 20.201 23.087 ( 1.061 0.776 -19.957) 20.000 23.841 ( -1.314 -0.789 -13.646) 13.731 23.929 ( 0.390 0.279 -9.518) 9.530 24.580 ( -4.401 -2.967 16.803) 17.621 25.088 ( 4.725 1.929 3.278) 6.066 25.315 ( -2.394 0.449 3.683) 4.416 25.390 ( -2.937 -2.458 2.999) 4.864 25.516 ( 0.172 1.888 -1.375) 2.342 25.612 ( 3.166 0.199 -2.176) 3.846 25.893 ( -1.215 -0.720 5.175) 5.364 26.520 ( -3.697 -2.133 -6.848) 8.070 ======================= Grid point 77 (17/36) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -0.000 -0.000 8.170) 8.170 1.279 ( 0.000 0.000 18.808) 18.808 1.579 ( 0.000 0.000 0.319) 0.319 1.638 ( 0.000 -0.000 0.897) 0.897 1.709 ( -0.000 -0.000 -3.995) 3.995 1.719 ( 0.000 0.000 2.365) 2.365 1.771 ( -0.000 0.000 -0.306) 0.306 1.787 ( 0.000 0.000 3.629) 3.629 1.837 ( 0.000 0.000 1.739) 1.739 1.885 ( 0.000 0.000 -4.686) 4.686 1.956 ( 0.000 0.000 3.034) 3.034 1.989 ( 0.000 0.000 -3.724) 3.724 2.195 ( -0.000 0.000 -0.727) 0.727 2.261 ( -0.000 0.000 7.784) 7.784 2.314 ( 0.000 0.000 13.583) 13.583 2.476 ( 0.000 -0.000 6.946) 6.946 2.608 ( 0.000 0.000 8.844) 8.844 2.718 ( 0.000 0.000 -5.179) 5.179 3.086 ( 0.000 0.000 6.191) 6.191 3.221 ( 0.000 0.000 13.207) 13.207 3.470 ( 0.000 0.000 7.469) 7.469 3.607 ( 0.000 0.000 -0.795) 0.795 3.650 ( -0.000 -0.000 -2.281) 2.281 3.798 ( 0.000 0.000 -18.074) 18.074 3.966 ( 0.000 0.000 -15.896) 15.896 4.043 ( 0.000 -0.000 -4.359) 4.359 4.287 ( 0.000 0.000 0.786) 0.786 4.462 ( 0.000 0.000 -0.815) 0.815 4.501 ( 0.000 0.000 -2.589) 2.589 4.572 ( 0.000 0.000 -15.987) 15.987 4.940 ( 0.000 0.000 10.488) 10.488 5.087 ( 0.000 -0.000 -6.454) 6.454 5.142 ( 0.000 0.000 3.590) 3.590 5.285 ( 0.000 0.000 1.540) 1.540 5.602 ( 0.000 0.000 -6.315) 6.315 5.648 ( 0.000 0.000 -6.116) 6.116 5.941 ( 0.000 0.000 11.187) 11.187 6.098 ( 0.000 0.000 5.888) 5.888 6.228 ( 0.000 0.000 7.995) 7.995 6.791 ( -0.000 0.000 -6.193) 6.193 6.809 ( 0.000 -0.000 7.579) 7.579 7.265 ( 0.000 0.000 -2.958) 2.958 7.349 ( 0.000 0.000 5.507) 5.507 7.554 ( 0.000 0.000 3.407) 3.407 7.849 ( 0.000 0.000 -6.767) 6.767 8.020 ( 0.000 0.000 -10.284) 10.284 8.098 ( 0.000 0.000 2.104) 2.104 8.248 ( 0.000 0.000 0.501) 0.501 8.305 ( 0.000 0.000 9.206) 9.206 8.543 ( 0.000 0.000 -0.012) 0.012 8.663 ( 0.000 0.000 -4.061) 4.061 8.988 ( 0.000 0.000 -5.467) 5.467 9.504 ( 0.000 0.000 2.915) 2.915 9.858 ( 0.000 0.000 -6.720) 6.720 10.737 ( 0.000 0.000 1.633) 1.633 10.976 ( 0.000 0.000 1.500) 1.500 11.087 ( 0.000 0.000 -13.390) 13.390 11.312 ( 0.000 0.000 -8.944) 8.944 11.497 ( 0.000 0.000 -0.345) 0.345 11.522 ( 0.000 0.000 -1.885) 1.885 11.688 ( 0.000 0.000 11.839) 11.839 11.936 ( 0.000 0.000 10.665) 10.665 12.028 ( 0.000 0.000 16.330) 16.330 12.238 ( 0.000 0.000 -3.819) 3.819 12.299 ( 0.000 0.000 -2.953) 2.953 12.916 ( 0.000 0.000 -7.834) 7.834 13.918 ( 0.000 0.000 0.402) 0.402 13.936 ( 0.000 0.000 -0.078) 0.078 14.438 ( 0.000 0.000 0.412) 0.412 14.461 ( 0.000 0.000 -0.288) 0.288 14.934 ( 0.000 0.000 0.329) 0.329 15.086 ( 0.000 0.000 -3.538) 3.538 21.521 ( 0.000 0.000 4.674) 4.674 22.122 ( 0.000 0.000 6.672) 6.672 22.143 ( 0.000 0.000 -14.208) 14.208 22.231 ( 0.000 0.000 0.203) 0.203 22.288 ( 0.000 0.000 -3.678) 3.678 22.782 ( 0.000 0.000 13.817) 13.817 22.962 ( 0.000 0.000 20.352) 20.352 23.098 ( 0.000 0.000 -22.558) 22.558 23.824 ( 0.000 0.000 -14.514) 14.514 23.934 ( 0.000 0.000 -9.468) 9.468 24.528 ( 0.000 0.000 17.370) 17.370 25.187 ( 0.000 0.000 -4.915) 4.915 25.239 ( -0.000 0.000 10.779) 10.779 25.363 ( 0.000 0.000 2.815) 2.815 25.527 ( 0.000 0.000 -1.639) 1.639 25.641 ( 0.000 0.000 -2.976) 2.976 25.878 ( 0.000 0.000 5.303) 5.303 26.476 ( 0.000 0.000 -6.890) 6.890 ======================= Grid point 83 (18/36) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 9.156 17.050 9.640) 21.621 1.041 ( 8.899 15.354 15.221) 23.379 1.306 ( -4.908 -10.092 3.322) 11.703 1.611 ( 7.626 15.691 9.913) 20.065 1.659 ( 0.372 0.444 -4.376) 4.415 1.722 ( -0.358 -1.978 2.266) 3.029 1.822 ( 0.338 2.241 7.869) 8.188 1.870 ( -0.940 -1.836 1.154) 2.364 1.934 ( 0.107 -2.127 -1.176) 2.433 1.965 ( -1.754 -0.425 0.808) 1.978 1.999 ( 1.749 0.572 0.632) 1.946 2.106 ( -2.150 -3.578 2.353) 4.792 2.148 ( -2.292 -1.340 10.159) 10.501 2.362 ( -1.332 -6.376 4.667) 8.013 2.455 ( 2.624 0.494 1.153) 2.908 2.498 ( -4.979 -1.194 11.482) 12.572 2.505 ( 1.265 -3.344 3.668) 5.122 2.678 ( -2.188 1.757 10.531) 10.898 2.960 ( -0.099 -1.993 -16.382) 16.503 3.142 ( -2.959 -2.904 -3.748) 5.589 3.504 ( 0.291 -3.593 3.462) 4.998 3.662 ( -0.412 1.344 -7.150) 7.287 3.873 ( -1.976 -0.022 -7.080) 7.351 3.951 ( 0.241 -2.907 -1.769) 3.411 4.027 ( -3.476 -5.213 -1.456) 6.433 4.201 ( 2.613 -0.794 -3.201) 4.208 4.365 ( 7.699 -9.637 -3.614) 12.853 4.396 ( -13.735 5.430 -1.088) 14.810 4.505 ( -2.066 -4.234 -4.449) 6.480 4.690 ( 1.475 0.540 4.766) 5.018 4.751 ( 0.492 5.274 5.397) 7.562 5.003 ( 1.296 -0.211 -16.494) 16.547 5.179 ( 4.477 5.721 -6.518) 9.760 5.273 ( 3.063 6.072 -7.784) 10.337 5.670 ( -2.889 -5.005 5.213) 7.783 5.752 ( -8.341 -13.970 4.108) 16.781 5.943 ( 1.811 2.230 9.739) 10.154 6.317 ( -4.605 -5.172 15.712) 17.171 6.376 ( -1.980 -6.672 7.929) 10.550 6.685 ( -3.742 -3.569 -3.220) 6.091 6.892 ( 5.290 6.609 -2.589) 8.852 7.154 ( 1.195 4.339 -0.045) 4.501 7.468 ( 1.385 1.555 0.463) 2.133 7.723 ( 2.512 1.358 -3.199) 4.288 7.737 ( -4.225 -5.510 1.753) 7.161 7.902 ( -0.496 -2.133 -5.850) 6.246 7.949 ( 0.223 0.380 0.553) 0.707 7.987 ( 8.756 15.659 -2.985) 18.188 8.113 ( 2.374 5.442 -0.135) 5.939 8.430 ( 3.854 6.454 -6.773) 10.119 8.567 ( 2.553 4.614 6.920) 8.700 8.764 ( -2.395 -4.314 8.170) 9.544 9.934 ( -4.784 -7.994 -3.267) 9.873 10.293 ( -7.326 -12.830 -6.095) 15.982 10.660 ( 0.990 3.454 1.422) 3.865 10.784 ( 2.459 2.568 0.407) 3.579 11.007 ( 2.100 3.586 -9.837) 10.679 11.137 ( 1.783 3.162 -14.536) 14.982 11.606 ( 1.315 1.601 9.126) 9.358 11.700 ( -2.085 -4.394 -0.273) 4.872 11.723 ( -1.652 -1.552 2.434) 3.326 11.885 ( 2.008 3.140 10.536) 11.176 12.033 ( -3.259 -4.856 3.727) 6.935 12.230 ( 1.455 2.256 -4.887) 5.575 12.428 ( -2.590 -4.628 5.467) 7.617 12.834 ( 2.054 3.635 -4.610) 6.220 13.893 ( 0.408 0.688 0.512) 0.949 13.931 ( -0.308 -0.555 -0.401) 0.751 14.460 ( 1.354 -1.605 0.256) 2.115 14.474 ( -1.889 1.279 -0.099) 2.284 14.654 ( 4.491 7.151 1.410) 8.561 15.091 ( 2.970 5.188 -15.794) 16.888 21.544 ( 1.699 0.838 4.143) 4.555 21.726 ( 3.798 8.816 6.273) 11.467 22.163 ( -0.535 -0.696 -15.011) 15.037 22.274 ( -0.313 -0.785 0.088) 0.850 22.315 ( -0.561 -0.975 -1.464) 1.846 22.663 ( 3.859 6.698 -12.102) 14.361 22.943 ( -0.078 -0.143 19.663) 19.664 23.027 ( 2.129 3.595 -5.257) 6.715 23.883 ( -0.422 -0.684 -11.163) 11.192 23.910 ( 0.240 0.354 -9.684) 9.693 24.863 ( -2.418 -3.595 5.528) 7.024 24.947 ( -5.736 -9.686 18.869) 21.972 25.389 ( 0.552 3.652 0.949) 3.814 25.414 ( 3.745 0.674 2.286) 4.439 25.491 ( -1.284 -2.166 0.506) 2.568 25.532 ( -0.045 2.100 0.082) 2.102 25.946 ( -1.512 -2.584 7.684) 8.247 26.667 ( -3.292 -5.703 -6.121) 8.990 ======================= Grid point 84 (19/36) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -3.290 2.106 10.884) 11.564 1.270 ( 4.680 4.793 14.039) 15.555 1.374 ( 10.824 11.075 7.746) 17.315 1.648 ( -0.871 -3.344 0.729) 3.532 1.669 ( 2.441 -1.823 3.597) 4.713 1.750 ( 0.063 4.164 -0.817) 4.244 1.813 ( -2.788 -1.205 -0.889) 3.165 1.873 ( -1.614 -1.909 0.230) 2.510 1.911 ( -1.409 -2.874 -2.353) 3.972 1.962 ( 1.915 1.553 0.537) 2.523 2.001 ( -1.732 -0.215 -0.919) 1.972 2.052 ( -5.062 -1.070 0.038) 5.174 2.108 ( 1.537 -2.168 5.587) 6.187 2.305 ( -8.583 -2.162 12.026) 14.933 2.354 ( 3.068 -9.116 4.551) 10.641 2.551 ( -1.089 7.084 4.775) 8.613 2.608 ( 5.695 3.300 11.484) 13.237 2.717 ( 9.326 9.390 9.338) 16.197 2.882 ( -6.546 -1.621 -9.264) 11.459 3.067 ( 1.064 -6.482 1.090) 6.659 3.456 ( -3.529 -0.498 2.789) 4.526 3.653 ( 2.389 -0.138 -1.625) 2.892 3.814 ( -1.522 -0.061 -14.481) 14.561 3.940 ( -2.980 -2.199 -13.458) 13.959 4.014 ( 1.560 -0.134 4.884) 5.129 4.127 ( -13.645 1.658 1.489) 13.825 4.283 ( -0.297 5.423 -6.505) 8.474 4.356 ( 4.507 -12.839 -4.957) 14.482 4.438 ( 1.434 -8.028 -3.286) 8.792 4.741 ( 0.185 -0.296 4.946) 4.959 4.768 ( -2.321 3.911 -3.621) 5.813 5.026 ( 2.894 -0.624 -0.400) 2.988 5.283 ( -0.281 3.168 -8.130) 8.730 5.372 ( 3.139 -0.582 -7.107) 7.791 5.506 ( -3.473 -5.091 3.807) 7.244 5.606 ( -0.758 -2.687 -1.054) 2.984 5.999 ( -0.801 5.617 11.389) 12.724 6.180 ( -3.484 -4.978 8.412) 10.377 6.295 ( -2.740 -3.391 9.921) 10.837 6.599 ( 1.364 -8.404 -1.823) 8.707 6.994 ( -2.523 9.971 0.076) 10.286 7.269 ( 3.623 7.111 -1.860) 8.195 7.473 ( -3.346 -0.250 0.918) 3.478 7.562 ( -4.325 -4.708 4.502) 7.819 7.846 ( 3.073 1.256 -5.435) 6.369 7.881 ( 3.137 1.078 -7.619) 8.310 7.996 ( 4.736 -0.562 1.957) 5.155 8.137 ( 1.947 1.957 -3.056) 4.119 8.307 ( 4.846 7.308 -0.222) 8.771 8.531 ( 1.617 4.433 -1.636) 4.995 8.671 ( 0.556 2.227 2.894) 3.694 8.720 ( 5.308 4.182 6.294) 9.235 9.752 ( -7.528 -7.792 -2.457) 11.110 10.016 ( -8.289 -13.200 -7.441) 17.272 10.717 ( 1.810 2.248 1.076) 3.080 10.849 ( 1.942 3.107 -0.304) 3.677 11.096 ( 3.586 3.061 -10.309) 11.336 11.202 ( 2.327 3.479 -12.022) 12.730 11.575 ( -3.119 -4.164 0.291) 5.211 11.621 ( -2.692 -3.669 -2.233) 5.069 11.708 ( -0.466 2.445 11.953) 12.209 11.923 ( 1.818 -4.041 9.299) 10.301 11.959 ( -0.843 0.231 13.732) 13.759 12.286 ( -0.019 5.679 -4.345) 7.151 12.352 ( -2.040 -2.260 1.005) 3.206 12.878 ( 1.316 -0.704 -6.562) 6.729 13.911 ( 0.708 0.958 0.298) 1.228 13.926 ( -0.006 0.090 -0.021) 0.093 14.452 ( -0.333 -1.530 0.203) 1.579 14.462 ( -0.473 0.227 -0.152) 0.546 14.808 ( 5.208 5.945 1.443) 8.034 15.127 ( -0.549 -0.482 -7.993) 8.026 21.576 ( -1.076 4.070 3.264) 5.327 21.900 ( 8.092 4.100 5.453) 10.584 22.144 ( -0.493 -1.200 -10.881) 10.958 22.261 ( -0.556 -0.297 -0.880) 1.082 22.297 ( -0.510 -0.787 -2.572) 2.738 22.748 ( 1.759 2.126 5.193) 5.880 22.936 ( 0.307 -1.601 19.338) 19.407 23.089 ( 1.208 2.572 -16.470) 16.713 23.864 ( -1.290 -0.056 -12.726) 12.791 23.919 ( 0.619 -0.151 -9.897) 9.918 24.709 ( -10.114 2.773 13.385) 17.004 24.939 ( 8.640 -6.113 9.066) 13.936 25.378 ( -3.315 -2.079 0.893) 4.014 25.413 ( -2.314 0.730 3.018) 3.873 25.531 ( 5.784 -0.567 -1.303) 5.956 25.555 ( -0.917 3.372 -0.936) 3.617 25.905 ( -1.180 -1.204 5.243) 5.508 26.553 ( -3.568 -4.293 -6.760) 8.767 ======================= Grid point 85 (20/36) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 5.912 9.998 15.277) 19.191 1.327 ( 0.232 2.252 11.851) 12.066 1.577 ( 0.978 -2.450 2.050) 3.341 1.632 ( 2.715 4.700 3.380) 6.394 1.694 ( 3.072 -0.019 1.836) 3.579 1.751 ( -2.699 -1.065 0.692) 2.983 1.769 ( -2.513 0.790 1.083) 2.848 1.784 ( -2.249 -4.010 -1.648) 4.884 1.890 ( -2.316 -0.386 -2.019) 3.097 1.922 ( -3.046 -0.587 -2.955) 4.284 1.942 ( -4.720 -4.418 -1.328) 6.600 2.028 ( -4.951 -0.167 4.493) 6.688 2.119 ( 5.414 -5.422 1.845) 7.881 2.167 ( 4.418 6.439 7.794) 11.032 2.348 ( 2.573 -7.556 12.035) 14.441 2.525 ( -5.025 -1.903 10.994) 12.237 2.659 ( -4.386 10.265 2.184) 11.375 2.769 ( -2.987 1.337 -2.030) 3.851 2.940 ( 4.768 -7.525 5.976) 10.727 3.248 ( 15.096 13.301 0.093) 20.120 3.423 ( 1.998 2.505 4.108) 5.210 3.667 ( -11.705 1.203 5.478) 12.979 3.780 ( -2.481 -0.153 -12.170) 12.421 3.844 ( -3.165 1.249 -11.117) 11.626 3.951 ( -3.505 -0.456 -6.764) 7.632 4.025 ( 0.301 -3.751 -5.130) 6.363 4.249 ( 1.220 -9.088 -11.181) 14.459 4.359 ( 0.337 -0.963 4.622) 4.734 4.436 ( 6.270 -2.902 -4.812) 8.420 4.674 ( -4.670 2.576 -4.325) 6.867 4.833 ( 6.865 -2.864 6.927) 10.165 5.047 ( 3.587 -7.359 5.843) 10.058 5.218 ( -9.417 1.731 -5.464) 11.024 5.301 ( -1.026 -0.521 -2.092) 2.388 5.584 ( 2.445 -1.687 -8.120) 8.647 5.606 ( 3.942 1.133 -4.280) 5.928 6.015 ( -3.610 6.251 10.358) 12.625 6.108 ( -1.615 -1.233 6.418) 6.732 6.232 ( -1.138 -1.464 8.011) 8.223 6.572 ( 5.761 -10.060 1.682) 11.714 7.028 ( -5.482 11.288 1.230) 12.609 7.355 ( -5.318 3.549 2.134) 6.741 7.376 ( -0.501 3.763 0.282) 3.807 7.528 ( 0.643 -1.472 2.451) 2.930 7.855 ( -0.252 0.551 -7.199) 7.225 7.970 ( 3.847 -2.122 -8.148) 9.257 8.076 ( 3.273 -0.139 0.648) 3.340 8.192 ( 3.377 -2.252 -0.171) 4.063 8.332 ( -1.753 1.901 8.749) 9.124 8.570 ( -0.994 2.540 -0.090) 2.729 8.665 ( -0.043 0.068 -2.932) 2.933 8.976 ( 7.633 10.341 -3.834) 13.413 9.528 ( -7.286 -6.964 1.152) 10.145 9.812 ( -0.941 -10.048 -5.969) 11.725 10.751 ( -0.328 1.857 0.612) 1.982 10.914 ( 3.712 -0.677 -1.814) 4.187 11.153 ( -1.775 4.249 -10.475) 11.442 11.286 ( 3.338 1.734 -9.823) 10.518 11.487 ( -1.469 -3.409 -0.151) 3.715 11.542 ( -2.372 -2.240 -2.591) 4.166 11.714 ( -1.446 2.680 13.116) 13.465 11.903 ( 0.961 -3.539 9.148) 9.855 11.979 ( 2.570 -1.786 18.573) 18.835 12.297 ( -1.064 0.047 -3.393) 3.556 12.347 ( -3.200 8.048 -3.443) 9.320 12.877 ( 1.762 -3.810 -7.526) 8.617 13.924 ( -0.216 0.589 0.332) 0.710 13.935 ( 0.467 0.462 0.046) 0.658 14.429 ( -0.107 -1.751 0.392) 1.798 14.461 ( 0.104 0.343 -0.438) 0.565 14.929 ( 2.594 3.541 0.468) 4.414 15.091 ( -1.393 -1.554 -3.775) 4.313 21.585 ( -3.387 5.577 3.163) 7.251 22.046 ( 6.986 -2.345 -3.312) 8.080 22.129 ( -0.215 -0.385 -0.689) 0.818 22.249 ( -0.793 0.370 -1.397) 1.649 22.284 ( -0.059 -0.647 -3.320) 3.383 22.782 ( 0.513 1.087 12.968) 13.024 22.924 ( 1.160 -3.123 18.308) 18.608 23.117 ( -0.309 1.711 -19.823) 19.899 23.844 ( -1.340 1.046 -13.994) 14.097 23.926 ( 0.536 -0.588 -10.000) 10.032 24.614 ( -6.114 6.177 15.001) 17.337 25.059 ( 9.615 -2.769 4.362) 10.916 25.251 ( -3.870 -8.143 5.460) 10.540 25.409 ( -2.120 4.078 0.179) 4.599 25.558 ( -1.806 1.782 -1.500) 2.948 25.606 ( 3.464 -0.667 -2.492) 4.319 25.882 ( -0.554 -0.278 5.144) 5.181 26.478 ( -1.242 -1.929 -6.881) 7.254 ======================= Grid point 86 (21/36) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -7.080 3.053 12.454) 14.648 1.355 ( -4.380 0.816 12.165) 12.956 1.551 ( -2.947 -2.910 1.652) 4.458 1.621 ( -1.733 -5.191 0.631) 5.509 1.630 ( -0.602 2.876 5.233) 6.002 1.741 ( 2.548 -0.957 -0.123) 2.725 1.798 ( 0.601 1.050 2.010) 2.346 1.811 ( 1.400 1.854 -2.601) 3.487 1.869 ( 5.268 5.927 2.965) 8.465 1.887 ( 2.575 0.182 -3.016) 3.970 1.940 ( 1.665 0.648 0.899) 2.000 1.991 ( 0.390 -0.945 -0.897) 1.360 2.139 ( 1.731 -4.146 -0.880) 4.578 2.231 ( -4.473 -4.871 14.023) 15.504 2.370 ( 5.921 3.442 10.500) 12.536 2.492 ( 4.130 -0.374 7.259) 8.360 2.660 ( -6.342 9.577 2.255) 11.706 2.772 ( -0.069 2.522 -1.154) 2.775 2.941 ( 4.499 -7.610 6.373) 10.898 3.215 ( -17.165 -7.802 2.686) 19.045 3.521 ( 1.608 6.461 5.088) 8.379 3.636 ( -12.446 1.596 4.260) 13.251 3.731 ( 10.392 5.267 -6.212) 13.203 3.840 ( 3.041 4.892 -11.274) 12.660 3.950 ( 0.463 0.161 -15.886) 15.894 3.999 ( 1.838 -3.823 -8.797) 9.766 4.251 ( 4.750 -3.255 -1.781) 6.027 4.327 ( 1.642 -4.892 -2.585) 5.771 4.540 ( 4.218 0.863 -4.515) 6.239 4.642 ( -1.097 0.422 1.016) 1.554 4.929 ( 4.394 -2.113 11.055) 12.083 4.995 ( 1.781 -8.377 -1.588) 8.711 5.157 ( -0.117 4.398 -5.411) 6.974 5.321 ( 1.553 3.975 -0.338) 4.281 5.575 ( -4.552 -6.256 -8.374) 11.401 5.595 ( 0.813 -0.520 -5.633) 5.715 6.013 ( -3.741 6.027 11.105) 13.177 6.132 ( 3.426 1.829 7.802) 8.715 6.218 ( 0.780 -0.515 6.695) 6.760 6.582 ( 6.709 -9.661 2.028) 11.936 7.030 ( -6.995 10.711 0.463) 12.801 7.329 ( -2.745 4.029 0.078) 4.876 7.415 ( 0.018 5.802 1.592) 6.016 7.519 ( 0.394 -2.095 2.868) 3.573 7.852 ( -0.565 0.253 -6.433) 6.462 7.964 ( -0.485 -4.844 -8.297) 9.620 8.079 ( -2.020 -4.745 2.390) 5.684 8.133 ( -1.768 -1.596 -0.122) 2.385 8.422 ( 5.191 2.713 7.988) 9.905 8.550 ( -4.107 2.146 -2.316) 5.181 8.662 ( -0.214 -0.136 -2.925) 2.936 8.946 ( -13.586 -2.649 -1.679) 13.943 9.562 ( 10.226 4.752 0.278) 11.280 9.797 ( 8.719 -5.457 -6.351) 12.088 10.747 ( -1.565 0.926 0.475) 1.879 10.936 ( 0.378 -3.140 -0.800) 3.262 11.120 ( -5.144 2.634 -11.225) 12.625 11.299 ( -2.376 -1.168 -9.296) 9.666 11.493 ( 4.011 -0.515 -0.649) 4.096 11.527 ( 2.071 0.647 -2.142) 3.049 11.729 ( -0.870 3.733 12.558) 13.130 11.882 ( 1.474 -4.093 10.714) 11.563 11.996 ( 1.543 -2.406 17.242) 17.478 12.300 ( 1.131 0.692 -2.950) 3.235 12.342 ( -6.237 7.027 -4.165) 10.277 12.877 ( 2.451 -3.398 -7.427) 8.527 13.922 ( -0.540 0.314 0.395) 0.739 13.936 ( -0.519 -0.018 -0.003) 0.520 14.421 ( 0.696 -0.852 0.552) 1.231 14.473 ( 0.776 0.274 -0.693) 1.076 14.922 ( -4.682 -0.709 0.651) 4.779 15.095 ( 2.114 0.541 -3.878) 4.450 21.574 ( -3.824 4.978 3.488) 7.181 22.063 ( -0.593 -6.382 -4.696) 7.946 22.129 ( 0.688 -0.034 0.259) 0.736 22.245 ( -0.235 0.864 -1.508) 1.754 22.284 ( 0.558 -0.281 -3.128) 3.189 22.784 ( -1.121 0.188 13.117) 13.166 22.923 ( 2.101 -2.667 18.350) 18.662 23.116 ( -1.449 1.092 -20.053) 20.135 23.845 ( -0.211 1.711 -13.978) 14.084 23.925 ( 0.196 -0.799 -9.970) 10.004 24.620 ( -1.925 8.769 15.199) 17.653 25.069 ( -2.418 -10.316 2.360) 10.855 25.232 ( 8.221 -0.365 8.047) 11.510 25.416 ( -1.895 4.313 -0.397) 4.728 25.528 ( -2.210 -0.498 -1.469) 2.700 25.631 ( 0.244 -0.957 -2.815) 2.983 25.882 ( 0.531 0.350 5.254) 5.293 26.478 ( 2.290 0.110 -6.881) 7.253 ======================= Grid point 87 (22/36) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -0.762 2.187 12.368) 12.583 1.270 ( -7.078 -3.450 11.281) 13.757 1.335 ( -15.608 -2.070 6.112) 16.889 1.612 ( 2.954 -0.814 4.062) 5.088 1.669 ( 0.605 -0.269 -1.192) 1.363 1.784 ( -0.587 -0.580 -0.738) 1.107 1.818 ( 3.325 2.342 -0.217) 4.072 1.880 ( 2.145 0.589 -1.779) 2.849 1.894 ( -0.508 -0.685 0.780) 1.156 1.951 ( 1.022 0.180 0.206) 1.058 2.006 ( 2.282 2.437 0.707) 3.413 2.035 ( 0.385 1.854 -2.394) 3.052 2.167 ( 2.073 2.319 10.345) 10.803 2.189 ( 6.261 -2.843 7.808) 10.404 2.445 ( 4.368 -3.015 9.314) 10.720 2.512 ( -5.786 4.348 3.288) 7.950 2.639 ( -12.478 -3.307 7.143) 14.753 2.703 ( -1.206 -2.089 12.833) 13.058 2.883 ( 1.288 4.456 -9.431) 10.510 3.083 ( 6.329 -4.715 1.255) 7.992 3.462 ( -4.176 0.764 1.101) 4.386 3.631 ( 3.927 1.414 0.818) 4.253 3.840 ( 4.177 -0.247 -10.029) 10.867 3.918 ( -1.651 3.484 -6.238) 7.334 3.985 ( 1.675 -1.310 -6.244) 6.596 4.092 ( 4.973 11.291 -7.929) 14.665 4.258 ( -0.349 -0.288 0.120) 0.468 4.395 ( 9.048 -3.862 -5.329) 11.188 4.520 ( 0.488 -10.551 -4.332) 11.417 4.668 ( 0.917 2.822 6.027) 6.718 4.874 ( -4.908 -1.289 0.767) 5.132 5.000 ( 0.216 -0.891 -3.429) 3.549 5.230 ( 0.489 3.120 -7.572) 8.205 5.384 ( -4.547 -2.463 -7.310) 8.954 5.488 ( 9.396 1.750 4.021) 10.369 5.612 ( 2.324 -0.894 -1.839) 3.095 5.993 ( -4.516 3.671 11.561) 12.943 6.211 ( 6.435 -2.012 10.580) 12.546 6.268 ( 3.346 2.813 7.918) 9.045 6.618 ( 6.911 -6.475 -0.475) 9.482 6.993 ( -8.068 7.313 -1.404) 10.979 7.266 ( -6.828 0.896 -2.750) 7.416 7.484 ( -0.928 1.836 0.101) 2.059 7.561 ( 8.168 1.787 5.748) 10.147 7.833 ( -3.358 -2.359 -3.359) 5.304 7.870 ( -2.164 -0.963 -5.729) 6.199 7.995 ( -0.877 -4.624 -1.404) 4.911 8.111 ( -2.628 1.567 -2.387) 3.881 8.368 ( -11.617 -5.484 -3.771) 13.389 8.519 ( -3.651 2.674 -0.249) 4.532 8.676 ( -1.682 1.558 4.936) 5.443 8.697 ( -5.002 -2.321 6.216) 8.310 9.767 ( 9.231 1.702 -2.568) 9.731 10.009 ( 16.340 1.002 -7.899) 18.177 10.717 ( -2.277 -0.388 0.702) 2.414 10.866 ( -5.060 -1.206 1.357) 5.376 11.065 ( -2.983 0.401 -12.020) 12.391 11.217 ( -4.778 -1.187 -11.174) 12.211 11.576 ( 4.672 0.380 0.645) 4.731 11.603 ( 4.693 1.599 -1.429) 5.159 11.727 ( -2.085 0.787 10.426) 10.662 11.897 ( 3.001 -1.395 10.680) 11.181 11.986 ( 0.386 -1.609 12.747) 12.854 12.286 ( -5.453 3.057 -4.637) 7.783 12.348 ( 3.462 0.713 0.897) 3.647 12.879 ( -0.053 -1.527 -6.451) 6.630 13.910 ( -1.031 -0.039 0.341) 1.087 13.927 ( -0.227 -0.020 -0.047) 0.232 14.434 ( 0.930 0.472 0.550) 1.179 14.485 ( 0.630 -0.703 -0.674) 1.160 14.801 ( -7.668 -1.156 1.647) 7.928 15.128 ( 0.581 0.124 -8.042) 8.064 21.558 ( -2.880 3.511 3.876) 5.971 21.921 ( -7.882 -5.667 5.194) 11.010 22.146 ( 1.353 -0.397 -11.709) 11.793 22.257 ( 0.604 0.612 -0.574) 1.034 22.296 ( 0.958 0.072 -2.433) 2.615 22.749 ( -2.792 -0.537 5.219) 5.943 22.936 ( 1.297 -1.042 19.521) 19.592 23.087 ( -2.804 0.361 -16.726) 16.964 23.865 ( 0.680 1.073 -12.725) 12.788 23.918 ( -0.156 -0.575 -9.853) 9.871 24.719 ( 2.425 10.183 13.819) 17.336 24.940 ( 1.044 -11.363 7.886) 13.870 25.361 ( 3.904 3.069 5.792) 7.630 25.433 ( -0.209 3.128 -1.075) 3.314 25.477 ( -1.714 -2.539 -0.767) 3.158 25.596 ( -2.717 -1.474 -1.582) 3.473 25.905 ( 1.638 0.401 5.328) 5.589 26.553 ( 5.502 0.945 -6.761) 8.768 ======================= Grid point 92 (23/36) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.034 13.069 12.836) 18.347 1.330 ( 3.378 3.436 13.639) 14.465 1.536 ( -0.800 -3.448 5.464) 6.510 1.586 ( 6.097 5.893 2.842) 8.943 1.661 ( -0.097 -0.356 1.620) 1.661 1.751 ( -0.352 -5.034 -0.080) 5.047 1.794 ( -0.560 0.638 -1.540) 1.759 1.851 ( -3.995 0.525 0.033) 4.030 1.875 ( 1.400 -1.407 -0.605) 2.075 1.952 ( 0.318 -1.826 -1.012) 2.112 1.969 ( -2.371 -2.328 -4.049) 5.238 2.018 ( -1.360 -6.044 0.337) 6.205 2.132 ( 3.994 -8.317 8.264) 12.386 2.148 ( 1.309 5.469 13.049) 14.209 2.259 ( -11.391 -1.171 10.410) 15.476 2.569 ( 0.354 -3.200 9.506) 10.036 2.789 ( -0.878 -5.236 -0.427) 5.326 2.827 ( 0.203 9.082 4.777) 10.264 2.868 ( 4.721 3.955 2.220) 6.546 3.059 ( 7.312 9.873 -3.592) 12.800 3.535 ( -4.337 5.984 1.552) 7.552 3.689 ( 9.360 3.504 -3.288) 10.522 3.793 ( -2.159 -3.004 -11.928) 12.488 3.903 ( -5.988 -2.128 -9.209) 11.188 3.950 ( 2.941 -4.932 -7.954) 9.810 4.039 ( -0.682 -6.914 -3.001) 7.568 4.237 ( -4.658 -6.893 -0.260) 8.323 4.277 ( 2.071 0.280 -2.792) 3.487 4.414 ( -5.834 4.466 -3.832) 8.286 4.698 ( 4.367 -2.801 6.296) 8.158 4.805 ( -8.684 0.314 1.539) 8.825 4.946 ( -1.199 -7.281 6.892) 10.097 5.250 ( 1.172 -4.798 -3.029) 5.794 5.420 ( -4.382 6.182 -8.747) 11.573 5.455 ( 7.063 -0.510 -8.110) 10.767 5.589 ( -0.126 -0.277 -4.261) 4.271 6.108 ( 0.373 -1.841 8.351) 8.560 6.123 ( 0.524 5.742 10.657) 12.116 6.226 ( -0.923 -3.420 6.317) 7.242 6.461 ( -3.942 -5.525 2.869) 7.369 7.164 ( 3.378 6.565 1.056) 7.458 7.358 ( 1.798 0.612 1.382) 2.349 7.435 ( -3.685 -3.134 5.617) 7.413 7.567 ( 3.197 5.563 -3.537) 7.327 7.858 ( 0.691 0.283 -6.463) 6.506 7.890 ( 0.491 -0.245 -8.483) 8.501 8.020 ( 2.062 2.603 2.138) 3.950 8.139 ( 0.691 -1.445 -1.213) 2.010 8.393 ( -3.021 1.471 6.922) 7.694 8.598 ( 1.658 2.189 -0.563) 2.803 8.662 ( 0.008 -0.553 -1.435) 1.538 8.936 ( 10.021 13.910 -0.802) 17.162 9.609 ( -7.160 -5.885 -1.058) 9.328 9.727 ( -6.193 -15.197 -5.751) 17.388 10.765 ( 1.784 2.385 -0.503) 3.021 10.885 ( -1.104 0.305 -2.021) 2.323 11.171 ( 4.698 4.332 -10.164) 12.006 11.272 ( 0.538 3.088 -10.428) 10.890 11.484 ( -2.642 -4.190 -0.211) 4.958 11.543 ( -1.328 -3.675 -2.824) 4.822 11.777 ( -0.424 3.984 14.950) 15.478 11.840 ( 1.175 -3.635 9.726) 10.449 11.955 ( -1.881 -1.155 17.805) 17.941 12.305 ( -0.896 -1.432 -2.487) 3.006 12.436 ( 4.660 7.736 -5.021) 10.333 12.827 ( -2.430 -4.123 -6.976) 8.460 13.929 ( 0.741 0.545 0.280) 0.962 13.933 ( 0.023 0.743 0.169) 0.762 14.416 ( -0.422 -1.418 0.473) 1.553 14.468 ( -0.698 -0.169 -0.768) 1.051 14.919 ( 3.370 5.121 0.742) 6.175 15.099 ( -1.473 -2.181 -4.087) 4.861 21.665 ( 3.861 4.553 0.972) 6.048 21.952 ( -1.218 0.553 -2.011) 2.416 22.129 ( 0.076 0.122 1.074) 1.084 22.256 ( 0.134 -0.106 -1.919) 1.926 22.281 ( -0.427 -0.778 -2.836) 2.971 22.785 ( 0.855 1.713 11.981) 12.133 22.894 ( -1.282 -2.431 18.484) 18.687 23.128 ( 0.818 1.278 -19.310) 19.369 23.868 ( 0.162 0.368 -13.157) 13.163 23.912 ( -0.183 -0.440 -10.709) 10.719 24.824 ( -1.768 3.925 6.836) 8.078 24.845 ( 4.040 1.093 12.772) 13.440 25.234 ( -4.638 -9.208 5.878) 11.868 25.478 ( -0.733 2.324 -1.455) 2.838 25.525 ( 4.590 0.643 -1.508) 4.874 25.603 ( -1.562 1.106 -2.110) 2.849 25.887 ( -0.371 -0.624 5.108) 5.159 26.479 ( -1.619 -2.806 -6.873) 7.598 ======================= Grid point 93 (24/36) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -1.662 4.143 11.658) 12.484 1.468 ( 2.413 -5.240 6.277) 8.526 1.522 ( 0.035 11.222 10.566) 15.413 1.624 ( -3.228 -3.867 4.608) 6.827 1.675 ( 0.856 -2.274 0.136) 2.433 1.711 ( -1.221 -1.708 1.789) 2.759 1.813 ( -0.386 5.791 3.249) 6.651 1.844 ( 2.843 4.518 2.824) 6.039 1.854 ( -4.234 -1.514 -2.038) 4.937 1.895 ( -2.073 0.104 0.642) 2.172 1.927 ( -0.100 0.273 -1.366) 1.397 1.981 ( -2.597 -2.503 0.866) 3.710 2.013 ( 3.074 -3.279 1.900) 4.880 2.160 ( 9.051 -11.077 12.477) 18.982 2.323 ( 0.129 4.007 11.550) 12.226 2.521 ( -5.142 4.736 8.042) 10.656 2.706 ( 4.084 -5.981 3.354) 7.981 2.824 ( 1.628 -2.761 3.058) 4.430 2.985 ( -10.331 18.382 -2.331) 21.214 3.368 ( -3.099 -13.009 -0.650) 13.389 3.426 ( 10.751 2.337 -6.657) 12.859 3.666 ( -5.398 7.954 -4.561) 10.640 3.830 ( 2.895 -3.143 -5.212) 6.740 3.894 ( 0.194 0.821 -18.705) 18.724 3.944 ( -3.836 -2.490 -7.467) 8.756 3.973 ( -2.794 4.718 5.004) 7.423 4.110 ( 0.362 0.488 -9.692) 9.711 4.339 ( -0.409 -1.124 3.849) 4.030 4.391 ( 7.625 -6.141 -1.843) 9.963 4.692 ( -4.574 1.721 5.663) 7.480 4.785 ( 7.490 -0.429 9.376) 12.008 4.850 ( 1.547 -9.814 4.747) 11.011 5.214 ( -0.805 -0.312 -0.912) 1.256 5.418 ( -4.241 8.555 -9.792) 13.677 5.557 ( 2.601 -1.188 -9.094) 9.533 5.561 ( 0.016 -4.738 -9.628) 10.731 6.084 ( -0.059 0.343 7.446) 7.454 6.170 ( -1.368 4.499 6.192) 7.775 6.214 ( -2.345 1.833 9.320) 9.784 6.392 ( 4.937 -7.978 6.019) 11.147 7.230 ( -4.741 8.639 1.898) 10.035 7.352 ( -0.427 -0.342 6.088) 6.113 7.400 ( 3.290 -4.755 2.714) 6.387 7.646 ( -6.266 11.326 -5.673) 14.132 7.863 ( -0.254 0.085 -7.702) 7.706 7.885 ( 3.533 -6.707 -8.200) 11.167 8.066 ( 0.246 -0.004 2.036) 2.051 8.114 ( 0.671 -3.016 0.092) 3.091 8.384 ( 0.819 1.056 9.999) 10.088 8.621 ( -1.489 2.389 -1.184) 3.054 8.659 ( 0.302 -0.720 -2.153) 2.290 9.159 ( -5.799 6.923 -8.365) 12.309 9.458 ( 2.748 1.254 1.698) 3.465 9.585 ( 4.840 -11.746 -2.615) 12.970 10.798 ( -1.839 2.695 -1.407) 3.553 10.875 ( 2.159 -2.805 -2.835) 4.535 11.236 ( -3.135 3.659 -9.956) 11.060 11.300 ( 1.042 -0.576 -10.156) 10.225 11.435 ( 1.070 -1.550 0.067) 1.885 11.503 ( 0.329 -1.124 -2.955) 3.179 11.789 ( -0.709 3.644 12.530) 13.068 11.847 ( -1.300 -1.235 14.179) 14.291 11.925 ( 2.755 -3.352 18.548) 19.049 12.290 ( 0.122 -0.191 -3.679) 3.686 12.539 ( -5.528 9.472 -5.551) 12.292 12.761 ( 4.166 -7.165 -6.941) 10.811 13.936 ( -0.409 0.509 0.342) 0.737 13.942 ( 0.046 0.110 0.169) 0.206 14.402 ( 0.335 -0.746 0.523) 0.971 14.462 ( 0.266 -0.190 -0.915) 0.972 14.990 ( -1.731 2.507 -0.346) 3.066 15.058 ( 1.219 -1.723 -2.082) 2.965 21.728 ( -5.242 8.085 -0.504) 9.649 21.936 ( 4.998 -7.485 -6.495) 11.099 22.137 ( -0.263 0.461 7.765) 7.783 22.257 ( -0.318 0.412 -2.228) 2.288 22.271 ( 0.353 -0.607 -2.731) 2.820 22.808 ( -0.752 1.470 15.019) 15.110 22.861 ( 1.427 -2.637 16.979) 17.241 23.141 ( -0.371 0.600 -19.924) 19.937 23.873 ( -0.866 1.540 -13.077) 13.195 23.907 ( 0.659 -1.195 -11.269) 11.352 24.795 ( -6.120 11.051 10.156) 16.209 24.998 ( 3.748 -5.620 2.781) 7.305 25.069 ( 3.196 -6.874 12.203) 14.366 25.488 ( -1.384 3.221 -1.842) 3.960 25.565 ( -2.141 -0.620 -1.820) 2.878 25.594 ( 2.410 -0.650 -2.508) 3.539 25.881 ( -0.009 0.019 5.167) 5.167 26.450 ( 0.426 -0.739 -6.839) 6.892 ======================= Grid point 146 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.000 0.000 25.178) 25.178 1.012 ( 0.000 0.000 25.178) 25.178 1.422 ( -0.000 -0.000 -17.038) 17.038 1.422 ( 0.000 0.000 -17.038) 17.038 1.616 ( 0.000 -0.000 16.442) 16.442 1.694 ( 0.000 0.000 1.568) 1.568 1.981 ( 0.000 0.000 1.331) 1.331 1.981 ( 0.000 0.000 1.331) 1.331 1.986 ( 0.000 0.000 0.359) 0.359 1.986 ( 0.000 0.000 0.359) 0.359 2.002 ( 0.000 0.000 4.655) 4.655 2.102 ( 0.000 0.000 -3.301) 3.301 2.478 ( 0.000 0.000 6.177) 6.177 2.478 ( 0.000 0.000 6.177) 6.177 2.501 ( 0.000 0.000 13.823) 13.823 2.663 ( 0.000 0.000 -13.717) 13.717 2.663 ( -0.000 0.000 -13.717) 13.717 2.804 ( -0.000 0.000 -14.252) 14.252 3.013 ( 0.000 0.000 26.612) 26.612 3.013 ( -0.000 0.000 26.612) 26.612 3.443 ( 0.000 0.000 -15.354) 15.354 3.443 ( -0.000 0.000 -15.354) 15.354 3.987 ( 0.000 0.000 13.663) 13.663 4.195 ( 0.000 0.000 7.394) 7.394 4.197 ( 0.000 0.000 3.574) 3.574 4.197 ( 0.000 -0.000 3.574) 3.574 4.329 ( 0.000 -0.000 -9.057) 9.057 4.329 ( -0.000 -0.000 -9.057) 9.057 4.346 ( -0.000 0.000 -6.900) 6.900 4.407 ( 0.000 0.000 -29.073) 29.073 4.890 ( 0.000 -0.000 2.314) 2.314 4.890 ( -0.000 0.000 2.314) 2.314 4.908 ( 0.000 0.000 0.657) 0.657 4.908 ( -0.000 0.000 0.657) 0.657 6.099 ( 0.000 0.000 14.349) 14.349 6.099 ( 0.000 0.000 14.349) 14.349 6.372 ( 0.000 0.000 -13.319) 13.319 6.372 ( 0.000 0.000 -13.319) 13.319 6.406 ( 0.000 0.000 9.231) 9.231 6.583 ( -0.000 0.000 -8.226) 8.226 7.034 ( 0.000 0.000 23.935) 23.935 7.442 ( 0.000 0.000 -18.076) 18.076 7.474 ( 0.000 0.000 4.097) 4.097 7.474 ( 0.000 0.000 4.097) 4.097 7.566 ( 0.000 0.000 -5.356) 5.356 7.566 ( -0.000 0.000 -5.356) 5.356 8.010 ( -0.000 0.000 0.389) 0.389 8.010 ( 0.000 0.000 0.389) 0.389 8.015 ( 0.000 -0.000 -0.171) 0.171 8.015 ( 0.000 -0.000 -0.171) 0.171 8.580 ( 0.000 0.000 8.941) 8.941 8.763 ( 0.000 -0.000 -9.999) 9.999 10.456 ( -0.000 -0.000 10.183) 10.183 10.632 ( 0.000 0.000 -7.866) 7.866 10.642 ( 0.000 -0.000 4.370) 4.370 10.642 ( 0.000 0.000 4.370) 4.370 10.749 ( 0.000 0.000 -6.892) 6.892 10.749 ( -0.000 -0.000 -6.892) 6.892 11.796 ( 0.000 -0.000 0.273) 0.273 11.804 ( 0.000 0.000 13.585) 13.585 11.804 ( 0.000 -0.000 13.585) 13.585 11.813 ( 0.000 -0.000 -1.378) 1.378 12.038 ( -0.000 0.000 -10.602) 10.602 12.038 ( 0.000 0.000 -10.602) 10.602 12.682 ( 0.000 -0.000 0.741) 0.741 12.689 ( 0.000 0.000 0.034) 0.034 13.907 ( 0.000 0.000 1.455) 1.455 13.935 ( 0.000 0.000 -1.324) 1.324 14.469 ( -0.000 0.000 0.192) 0.192 14.469 ( 0.000 0.000 0.192) 0.192 14.473 ( 0.000 -0.000 -0.172) 0.172 14.473 ( -0.000 0.000 -0.172) 0.172 21.665 ( 0.000 0.000 9.594) 9.594 21.665 ( 0.000 0.000 9.594) 9.594 21.887 ( -0.000 0.000 -13.639) 13.639 21.887 ( -0.000 -0.000 -13.639) 13.639 22.307 ( 0.000 -0.000 0.924) 0.924 22.325 ( 0.000 0.000 -0.914) 0.914 23.312 ( 0.000 -0.000 19.117) 19.117 23.312 ( 0.000 0.000 19.117) 19.117 23.650 ( 0.000 0.000 -15.961) 15.961 23.650 ( 0.000 0.000 -15.961) 15.961 25.123 ( 0.000 0.000 8.670) 8.670 25.326 ( -0.000 0.000 -12.534) 12.534 25.370 ( 0.000 0.000 3.976) 3.976 25.370 ( 0.000 0.000 3.976) 3.976 25.439 ( 0.000 0.000 -3.103) 3.103 25.439 ( 0.000 -0.000 -3.103) 3.103 26.468 ( 0.000 0.000 12.688) 12.688 26.676 ( 0.000 0.000 -9.012) 9.012 ======================= Grid point 147 (26/36) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 7.028 3.663 18.435) 20.066 1.096 ( 6.693 4.262 19.290) 20.858 1.371 ( -2.392 -1.462 -10.627) 10.991 1.449 ( 2.164 1.373 -14.903) 15.121 1.693 ( 5.019 2.723 8.992) 10.652 1.724 ( 1.716 1.176 0.963) 2.292 1.924 ( -3.500 -1.981 2.544) 4.758 1.958 ( -2.071 -1.589 -0.021) 2.610 1.967 ( -1.554 -0.654 1.588) 2.316 1.984 ( -0.170 -0.007 -0.161) 0.235 2.026 ( 0.266 0.190 3.603) 3.618 2.097 ( -0.911 -0.538 -3.094) 3.270 2.442 ( -2.070 -1.229 5.283) 5.806 2.475 ( -0.155 -0.503 5.510) 5.535 2.534 ( -4.196 1.663 6.348) 7.788 2.587 ( 2.923 -4.254 2.820) 5.881 2.664 ( 0.499 2.533 -8.480) 8.864 2.933 ( 6.824 3.603 -8.549) 11.516 2.980 ( -2.643 -0.568 24.767) 24.914 3.012 ( 1.775 0.398 20.316) 20.397 3.420 ( -1.751 -1.308 -16.995) 17.135 3.433 ( -1.283 -0.419 -16.237) 16.293 3.891 ( -8.586 -5.239 2.741) 10.425 3.956 ( -9.851 -6.076 -3.995) 12.245 4.100 ( -7.087 -2.760 -0.462) 7.619 4.150 ( -3.537 -3.180 -4.183) 6.333 4.322 ( -2.095 1.229 0.237) 2.440 4.403 ( 6.056 2.733 0.349) 6.653 4.474 ( 3.788 2.237 -14.407) 15.063 4.512 ( 5.176 1.336 -4.970) 7.300 4.858 ( -0.456 0.220 7.039) 7.057 4.881 ( 2.037 0.772 6.445) 6.803 4.987 ( 4.753 2.795 -5.978) 8.133 5.001 ( 5.321 3.341 -5.386) 8.275 5.957 ( -10.112 -5.642 9.381) 14.903 6.063 ( -14.514 -8.964 -0.522) 17.067 6.127 ( 1.750 1.569 14.256) 14.449 6.385 ( 0.446 0.062 -11.190) 11.199 6.600 ( 2.737 2.448 -2.241) 4.302 6.615 ( 2.544 0.295 -2.420) 3.523 6.909 ( -4.796 -2.394 15.679) 16.570 7.152 ( -10.025 -5.766 -7.810) 13.955 7.488 ( 1.209 0.852 4.477) 4.715 7.591 ( 2.489 1.052 -5.979) 6.561 7.691 ( 11.705 7.032 3.035) 13.988 7.769 ( 4.708 2.436 -5.157) 7.396 7.946 ( -3.556 -2.804 2.534) 5.189 7.982 ( -2.467 0.557 -1.155) 2.781 8.053 ( 4.086 1.151 1.969) 4.679 8.131 ( 8.920 5.315 -6.253) 12.121 8.642 ( 4.527 2.598 8.924) 10.339 8.806 ( 2.501 1.429 -7.241) 7.793 10.185 ( -15.417 -8.896 10.008) 20.420 10.375 ( -14.139 -8.115 -8.459) 18.366 10.674 ( 2.902 1.120 4.466) 5.442 10.746 ( 1.714 2.286 0.875) 2.988 10.796 ( 4.522 1.603 -5.656) 7.417 10.854 ( 4.318 2.708 -7.779) 9.301 11.741 ( -3.376 -1.865 1.549) 4.156 11.748 ( -3.560 -2.030 -0.454) 4.124 11.834 ( 1.948 1.033 11.279) 11.493 11.947 ( 7.546 4.373 8.152) 11.938 12.046 ( 0.672 0.206 -9.222) 9.248 12.079 ( 2.331 1.508 -5.620) 6.268 12.631 ( -3.827 -2.200 4.294) 6.158 12.702 ( 0.941 0.526 -3.358) 3.527 13.903 ( -0.102 -0.059 1.172) 1.178 13.926 ( -0.527 -0.303 -1.110) 1.266 14.464 ( -0.282 -0.078 0.724) 0.780 14.478 ( 0.260 0.021 -0.693) 0.740 14.567 ( 7.491 4.373 2.509) 9.029 14.652 ( 11.977 6.912 -7.352) 15.661 21.663 ( -0.227 0.022 9.560) 9.563 21.763 ( 8.196 4.471 11.247) 14.617 21.885 ( -0.253 -0.026 -13.607) 13.609 22.040 ( 11.500 6.625 -18.194) 22.520 22.299 ( -0.709 -0.409 0.858) 1.186 22.316 ( -0.741 -0.427 -0.905) 1.245 23.291 ( -1.744 -1.029 18.828) 18.936 23.317 ( 0.407 0.260 19.185) 19.191 23.633 ( -1.449 -0.852 -16.433) 16.518 23.655 ( 0.458 0.279 -15.954) 15.963 25.055 ( -4.628 -2.698 7.734) 9.408 25.203 ( -7.241 -4.145 -6.658) 10.675 25.377 ( 0.720 -0.013 4.000) 4.065 25.427 ( 2.727 2.946 2.797) 4.893 25.448 ( 1.514 -0.147 -2.759) 3.150 25.498 ( 2.296 1.395 -3.831) 4.680 26.346 ( -8.476 -4.894 16.335) 19.042 26.602 ( -5.825 -3.363 -10.651) 12.597 ======================= Grid point 148 (27/36) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 4.133 1.268 10.081) 10.969 1.312 ( 9.774 5.846 3.917) 12.043 1.424 ( 7.073 5.808 3.813) 9.915 1.520 ( 4.233 1.885 -8.373) 9.570 1.723 ( -2.319 0.003 3.714) 4.379 1.779 ( 0.667 0.501 -0.535) 0.991 1.840 ( -2.504 -2.050 1.085) 3.413 1.890 ( -2.808 -2.431 -2.317) 4.378 1.929 ( -1.769 -0.292 2.728) 3.264 1.973 ( -1.457 -0.446 -1.609) 2.216 1.992 ( -2.938 -2.113 1.930) 4.102 2.041 ( -3.978 -2.072 -3.199) 5.510 2.385 ( -1.144 -4.231 5.137) 6.753 2.426 ( -6.728 1.082 1.410) 6.959 2.471 ( -0.586 1.616 2.813) 3.297 2.580 ( 1.341 -5.934 -7.147) 9.385 2.834 ( 6.212 5.293 26.313) 27.550 2.923 ( -0.206 0.173 23.571) 23.572 2.984 ( 3.362 2.736 17.472) 18.001 3.211 ( 11.159 5.105 0.512) 12.282 3.361 ( -5.719 -0.320 -15.831) 16.835 3.384 ( -0.228 -1.986 -21.607) 21.699 3.687 ( -4.574 -6.519 -5.714) 9.802 3.767 ( -5.928 -3.699 -13.533) 15.230 3.990 ( -4.761 0.100 -0.513) 4.790 4.076 ( -4.574 -0.705 -7.337) 8.675 4.228 ( -7.853 -1.263 10.469) 13.148 4.429 ( -5.860 3.111 -9.511) 11.597 4.532 ( 2.723 -3.279 -1.847) 4.645 4.552 ( 3.147 -6.937 -2.764) 8.103 4.898 ( 3.686 1.848 9.183) 10.067 4.976 ( 5.025 3.345 4.327) 7.427 5.112 ( 6.218 0.507 -7.119) 9.466 5.127 ( 3.762 8.139 -8.082) 12.071 5.725 ( -10.317 -5.030 4.522) 12.336 5.756 ( -10.658 -6.336 1.301) 12.468 6.168 ( 0.983 0.409 12.943) 12.987 6.348 ( -2.849 -3.707 -4.025) 6.170 6.524 ( -6.030 -2.023 5.873) 8.657 6.641 ( 0.355 -1.855 -7.469) 7.704 6.904 ( 1.479 2.741 9.759) 10.244 7.081 ( 1.535 1.456 -7.287) 7.588 7.528 ( 1.810 1.295 5.644) 6.067 7.669 ( 3.739 1.845 -8.487) 9.456 7.741 ( -4.121 -3.334 2.424) 5.829 7.781 ( -1.304 -1.631 -2.487) 3.247 7.990 ( 4.335 3.416 -0.089) 5.520 8.009 ( 3.936 4.323 -1.856) 6.134 8.198 ( 9.454 4.289 5.447) 11.724 8.329 ( 7.445 4.229 -7.547) 11.414 8.744 ( 3.765 1.812 7.281) 8.394 8.825 ( -1.216 -0.863 -0.018) 1.492 9.883 ( -10.743 -6.211 4.566) 13.223 10.043 ( -13.944 -7.812 -10.589) 19.173 10.740 ( 2.283 1.422 3.906) 4.743 10.805 ( 3.960 0.898 0.075) 4.062 10.886 ( 2.382 3.414 -3.883) 5.693 10.953 ( 5.643 2.329 -7.587) 9.738 11.648 ( -4.687 -2.644 0.037) 5.381 11.653 ( -4.766 -2.311 -0.682) 5.340 11.883 ( 2.291 0.989 11.017) 11.296 12.059 ( 0.877 -0.234 -3.782) 3.889 12.093 ( 5.048 2.453 3.678) 6.710 12.118 ( 0.539 1.547 -1.794) 2.430 12.532 ( -4.569 -2.631 9.216) 10.617 12.717 ( 0.242 0.026 -9.300) 9.303 13.908 ( 0.480 0.285 0.638) 0.848 13.919 ( 0.036 0.021 -0.549) 0.551 14.458 ( -0.437 -0.008 0.990) 1.082 14.477 ( -0.184 -0.481 -0.957) 1.087 14.753 ( 7.703 4.585 4.582) 10.068 14.885 ( 7.409 4.278 -9.689) 12.926 21.658 ( -0.355 0.177 9.427) 9.436 21.878 ( -0.064 -0.558 -13.406) 13.418 21.993 ( 10.767 6.314 13.191) 18.160 22.273 ( 1.443 0.926 -5.765) 6.014 22.279 ( -0.793 -0.525 0.612) 1.131 22.344 ( 9.388 5.411 -16.096) 19.403 23.235 ( -3.086 -1.873 18.177) 18.532 23.329 ( 0.549 0.464 19.356) 19.369 23.585 ( -2.585 -1.582 -17.600) 17.859 23.669 ( 0.643 0.444 -15.924) 15.943 24.944 ( -4.610 -2.958 8.726) 10.303 25.074 ( -3.422 -1.847 -3.936) 5.533 25.392 ( 1.048 -0.118 4.105) 4.238 25.458 ( 0.218 1.426 -2.466) 2.857 25.505 ( 0.982 0.999 0.841) 1.634 25.524 ( 1.331 -0.078 -0.958) 1.642 26.170 ( -6.099 -3.537 16.048) 17.528 26.452 ( -6.500 -3.752 -12.528) 14.604 ======================= Grid point 149 (28/36) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 5.263 1.592 7.952) 9.668 1.455 ( 2.290 0.706 -3.339) 4.110 1.567 ( 1.644 2.930 4.336) 5.485 1.646 ( 3.650 4.432 8.643) 10.376 1.703 ( 2.223 3.049 -4.838) 6.135 1.734 ( -2.693 -0.599 -0.177) 2.764 1.796 ( -1.588 -2.112 2.418) 3.582 1.852 ( -0.491 -0.768 -0.656) 1.123 1.883 ( -4.527 -0.648 -1.190) 4.725 1.912 ( -1.934 -3.357 0.743) 3.945 1.942 ( 0.127 -0.669 -4.089) 4.145 1.957 ( -3.165 -0.929 -2.737) 4.287 2.327 ( -4.070 -1.124 8.530) 9.518 2.348 ( 3.084 -5.831 5.503) 8.590 2.485 ( -1.320 3.704 1.288) 4.138 2.571 ( 1.979 -0.773 -4.598) 5.065 2.816 ( -3.330 -0.513 16.816) 17.151 2.891 ( -4.920 -2.326 11.792) 12.987 3.201 ( 5.308 5.037 14.269) 16.036 3.262 ( 2.610 -1.226 3.051) 4.198 3.419 ( 2.344 3.735 -14.557) 15.210 3.445 ( 10.093 1.174 4.096) 10.955 3.634 ( 2.160 -4.592 -6.091) 7.928 3.689 ( -0.900 0.801 -11.512) 11.575 3.902 ( -10.124 2.238 -0.675) 10.390 3.990 ( 0.810 -0.515 -12.199) 12.237 4.102 ( -4.747 -0.877 4.730) 6.759 4.311 ( -10.796 4.156 -12.375) 16.940 4.499 ( 1.427 -9.753 -1.439) 9.961 4.506 ( -0.412 -5.219 -1.383) 5.415 4.990 ( 4.926 0.292 6.354) 8.046 5.066 ( 1.949 1.846 -0.884) 2.826 5.189 ( 0.885 3.764 1.459) 4.133 5.271 ( 3.565 3.481 -7.245) 8.793 5.535 ( -5.301 -1.791 3.298) 6.495 5.592 ( -4.746 -2.147 -1.571) 5.441 6.154 ( -1.062 -1.967 8.984) 9.258 6.243 ( -3.393 -4.992 -0.335) 6.045 6.434 ( -2.801 0.247 10.173) 10.554 6.632 ( -0.019 -0.409 -10.107) 10.116 6.956 ( 1.471 1.723 9.829) 10.087 7.132 ( 1.454 1.503 -7.923) 8.194 7.539 ( -1.926 -0.984 7.250) 7.566 7.638 ( -1.195 -0.693 3.196) 3.482 7.724 ( -0.586 -1.022 -5.559) 5.682 7.791 ( 2.966 1.106 -7.777) 8.397 8.106 ( 4.768 2.081 1.521) 5.420 8.126 ( 4.323 5.584 -0.095) 7.062 8.398 ( 7.811 2.823 1.555) 8.449 8.468 ( 4.694 3.791 -4.498) 7.526 8.721 ( -5.091 -3.913 6.454) 9.104 8.817 ( 1.177 0.192 -2.100) 2.415 9.681 ( -7.075 -4.462 2.619) 8.764 9.791 ( -7.578 -3.586 -8.454) 11.907 10.773 ( 0.710 0.761 3.478) 3.630 10.868 ( 2.356 -0.539 -6.260) 6.711 10.971 ( 3.381 4.050 3.113) 6.126 11.082 ( 5.587 2.396 -7.564) 9.704 11.543 ( -4.030 -2.408 -0.149) 4.697 11.550 ( -4.445 -1.841 -0.868) 4.889 11.918 ( 0.976 0.063 11.311) 11.353 12.075 ( 2.063 -1.078 2.023) 3.084 12.129 ( -1.227 2.129 -3.697) 4.439 12.181 ( 3.002 1.509 -0.782) 3.450 12.435 ( -3.593 -2.177 14.115) 14.727 12.711 ( -0.472 -0.454 -13.084) 13.100 13.921 ( 0.490 0.325 0.354) 0.687 13.926 ( 0.492 0.246 -0.181) 0.579 14.450 ( -0.458 0.113 0.733) 0.872 14.464 ( -0.444 -0.774 -0.693) 1.130 14.897 ( 4.530 2.808 3.511) 6.383 14.991 ( 2.267 1.274 -6.279) 6.797 21.655 ( -0.254 0.184 9.265) 9.270 21.871 ( -0.147 -0.272 -13.341) 13.345 22.204 ( 6.014 3.127 9.905) 12.002 22.261 ( -0.751 -0.340 -1.031) 1.320 22.271 ( 1.063 0.692 4.683) 4.852 22.566 ( 7.817 4.483 -20.497) 22.391 23.157 ( -3.252 -1.963 18.346) 18.735 23.342 ( 0.350 0.449 19.534) 19.542 23.524 ( -2.352 -1.517 -18.873) 19.079 23.683 ( 0.452 0.351 -15.870) 15.880 24.857 ( -2.458 -1.819 12.139) 12.519 25.043 ( 0.025 0.081 -7.064) 7.064 25.407 ( 0.774 -0.219 4.350) 4.423 25.472 ( 0.665 -1.342 -0.223) 1.514 25.482 ( -2.758 1.968 2.475) 4.195 25.557 ( 1.349 -0.052 -3.395) 3.653 26.073 ( -2.507 -1.492 13.159) 13.479 26.332 ( -3.662 -2.118 -12.571) 13.263 ======================= Grid point 150 (29/36) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 0.000 3.733) 3.733 1.461 ( 0.000 0.000 -3.992) 3.992 1.640 ( 0.000 0.000 4.816) 4.816 1.647 ( -0.000 -0.000 4.017) 4.017 1.700 ( 0.000 -0.000 1.587) 1.587 1.760 ( 0.000 0.000 3.080) 3.080 1.790 ( 0.000 0.000 -2.966) 2.966 1.812 ( 0.000 0.000 3.584) 3.584 1.849 ( 0.000 -0.000 1.169) 1.169 1.877 ( 0.000 0.000 0.643) 0.643 1.924 ( -0.000 0.000 -2.662) 2.662 1.939 ( 0.000 -0.000 -6.119) 6.119 2.279 ( 0.000 0.000 12.759) 12.759 2.367 ( 0.000 0.000 2.828) 2.828 2.489 ( 0.000 0.000 2.317) 2.317 2.606 ( 0.000 0.000 -2.391) 2.391 2.781 ( 0.000 0.000 10.543) 10.543 2.793 ( 0.000 -0.000 9.193) 9.193 3.221 ( 0.000 0.000 2.751) 2.751 3.400 ( 0.000 -0.000 -9.647) 9.647 3.441 ( 0.000 0.000 3.841) 3.841 3.493 ( -0.000 -0.000 4.189) 4.189 3.623 ( 0.000 0.000 -1.000) 1.000 3.713 ( 0.000 0.000 0.349) 0.349 3.885 ( -0.000 0.000 5.961) 5.961 3.929 ( 0.000 -0.000 -3.513) 3.513 4.153 ( 0.000 -0.000 -19.251) 19.251 4.160 ( -0.000 0.000 -11.315) 11.315 4.455 ( 0.000 -0.000 -0.926) 0.926 4.460 ( 0.000 0.000 -2.300) 2.300 5.044 ( -0.000 0.000 1.758) 1.758 5.084 ( 0.000 0.000 0.570) 0.570 5.219 ( 0.000 0.000 5.947) 5.947 5.293 ( 0.000 0.000 -1.138) 1.138 5.512 ( 0.000 0.000 -2.148) 2.148 5.537 ( 0.000 0.000 -4.426) 4.426 6.131 ( 0.000 0.000 6.899) 6.899 6.177 ( 0.000 -0.000 1.607) 1.607 6.416 ( 0.000 0.000 11.234) 11.234 6.630 ( 0.000 0.000 -10.445) 10.445 6.979 ( 0.000 0.000 9.543) 9.543 7.151 ( 0.000 0.000 -8.103) 8.103 7.502 ( 0.000 0.000 9.228) 9.228 7.635 ( 0.000 0.000 1.711) 1.711 7.713 ( 0.000 0.000 -3.956) 3.956 7.824 ( 0.000 0.000 -9.490) 9.490 8.155 ( 0.000 0.000 3.671) 3.671 8.221 ( 0.000 0.000 -2.836) 2.836 8.479 ( 0.000 0.000 6.047) 6.047 8.570 ( 0.000 0.000 -5.076) 5.076 8.603 ( -0.000 -0.000 8.965) 8.965 8.824 ( 0.000 -0.000 -11.426) 11.426 9.586 ( 0.000 0.000 5.624) 5.624 9.714 ( 0.000 0.000 -7.628) 7.628 10.783 ( 0.000 0.000 3.421) 3.421 10.883 ( 0.000 0.000 -7.678) 7.678 11.032 ( 0.000 0.000 4.629) 4.629 11.152 ( 0.000 0.000 -7.652) 7.652 11.490 ( 0.000 0.000 -0.231) 0.231 11.493 ( 0.000 0.000 -0.759) 0.759 11.924 ( 0.000 0.000 11.991) 11.991 12.097 ( 0.000 -0.000 7.429) 7.429 12.122 ( -0.000 0.000 -8.452) 8.452 12.220 ( 0.000 0.000 -5.357) 5.357 12.386 ( 0.000 0.000 18.622) 18.622 12.703 ( 0.000 0.000 -14.243) 14.243 13.927 ( 0.000 0.000 0.427) 0.427 13.933 ( 0.000 0.000 -0.239) 0.239 14.447 ( 0.000 0.000 0.441) 0.441 14.455 ( 0.000 0.000 -0.381) 0.381 14.954 ( 0.000 0.000 1.957) 1.957 15.011 ( 0.000 0.000 -3.863) 3.863 21.654 ( 0.000 0.000 9.190) 9.190 21.868 ( 0.000 0.000 -13.261) 13.261 22.238 ( 0.000 0.000 0.520) 0.520 22.252 ( 0.000 0.000 -1.018) 1.018 22.322 ( 0.000 0.000 14.276) 14.276 22.663 ( 0.000 0.000 -21.294) 21.294 23.112 ( 0.000 0.000 19.692) 19.692 23.348 ( 0.000 0.000 19.614) 19.614 23.493 ( 0.000 0.000 -19.500) 19.500 23.689 ( 0.000 0.000 -15.837) 15.837 24.827 ( 0.000 0.000 13.681) 13.681 25.048 ( 0.000 0.000 -9.575) 9.575 25.412 ( 0.000 0.000 4.785) 4.785 25.452 ( 0.000 0.000 7.335) 7.335 25.482 ( 0.000 0.000 -3.027) 3.027 25.568 ( 0.000 0.000 -4.718) 4.718 26.046 ( 0.000 0.000 12.034) 12.034 26.290 ( 0.000 0.000 -12.237) 12.237 ======================= Grid point 156 (30/36) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 3.364 9.870 13.441) 17.012 1.254 ( 7.653 10.513 8.786) 15.694 1.339 ( 1.018 0.010 -1.224) 1.592 1.501 ( 1.840 3.342 -11.761) 12.364 1.743 ( 0.773 0.108 1.622) 1.800 1.765 ( 1.571 2.688 2.134) 3.774 1.857 ( -2.697 -4.065 1.700) 5.166 1.901 ( -2.780 -4.071 -1.229) 5.080 1.941 ( -0.443 -1.372 2.703) 3.063 1.976 ( -0.413 -1.048 -0.425) 1.204 2.022 ( -0.699 -1.229 1.499) 2.061 2.063 ( -1.786 -3.139 -2.917) 4.642 2.364 ( -3.860 -4.512 3.374) 6.830 2.429 ( -0.582 -6.358 -2.006) 6.692 2.525 ( 1.740 2.466 4.066) 5.064 2.643 ( -4.256 4.976 -1.722) 6.771 2.757 ( 8.573 7.855 20.422) 23.500 2.940 ( -1.111 -0.403 24.086) 24.115 2.977 ( 0.894 -2.004 20.651) 20.768 3.095 ( 3.350 7.744 -4.155) 9.405 3.364 ( -2.243 -4.495 -16.823) 17.557 3.414 ( -0.720 -1.572 -19.533) 19.610 3.717 ( -7.262 -8.820 -6.273) 13.034 3.800 ( -5.258 -7.915 -12.995) 16.099 4.054 ( 2.321 -4.410 0.943) 5.072 4.072 ( -2.775 -1.109 -3.163) 4.351 4.334 ( 4.496 -5.603 2.670) 7.664 4.426 ( 0.881 -4.019 -5.194) 6.626 4.464 ( -6.693 4.365 5.520) 9.712 4.611 ( -1.212 5.895 -10.706) 12.282 4.833 ( 0.604 -0.814 8.631) 8.690 4.965 ( 2.281 6.139 5.189) 8.355 5.029 ( 3.456 2.601 -7.137) 8.346 5.125 ( 4.499 5.932 -7.526) 10.586 5.786 ( -5.060 -10.208 4.918) 12.410 5.819 ( -8.057 -13.272 1.650) 15.614 6.180 ( 2.056 3.362 13.607) 14.166 6.385 ( -1.951 -0.565 -5.382) 5.752 6.536 ( -2.366 -7.239 3.959) 8.584 6.599 ( -4.099 -3.369 -4.668) 7.067 6.936 ( 4.235 4.894 8.276) 10.506 7.100 ( 1.615 2.188 -6.470) 7.018 7.512 ( 0.926 1.172 4.488) 4.730 7.626 ( 1.285 3.027 -6.517) 7.300 7.766 ( -2.062 -2.108 0.778) 3.050 7.796 ( -1.916 -1.955 -3.172) 4.190 7.957 ( 3.538 5.245 0.072) 6.327 7.965 ( 2.262 0.249 -0.011) 2.276 8.158 ( 4.168 8.848 5.097) 11.029 8.289 ( 5.141 9.023 -7.810) 12.993 8.720 ( 2.445 4.558 8.087) 9.600 8.829 ( -0.127 -0.003 -2.000) 2.004 9.951 ( -7.078 -12.293 6.129) 15.452 10.127 ( -8.493 -14.955 -10.457) 20.128 10.713 ( 1.201 2.462 4.302) 5.100 10.818 ( -0.510 3.792 1.264) 4.029 10.832 ( 4.673 2.581 -5.515) 7.676 10.930 ( 2.306 4.673 -7.918) 9.479 11.676 ( -2.593 -4.540 0.092) 5.229 11.679 ( -2.302 -4.597 -0.556) 5.172 11.879 ( 1.650 3.314 11.327) 11.916 12.041 ( 1.684 2.729 2.584) 4.119 12.073 ( 0.916 3.452 -1.101) 3.737 12.112 ( 1.885 1.573 -4.381) 5.022 12.559 ( -2.681 -4.674 7.916) 9.576 12.713 ( 0.039 0.210 -7.728) 7.731 13.905 ( 0.218 0.372 0.775) 0.886 13.920 ( -0.060 -0.109 -0.705) 0.716 14.466 ( 0.399 -0.835 0.303) 0.974 14.471 ( -0.847 0.244 -0.208) 0.906 14.705 ( 4.854 8.218 4.269) 10.455 14.835 ( 5.275 9.134 -9.983) 14.523 21.668 ( 0.518 0.240 8.824) 8.842 21.857 ( 0.052 1.357 -5.311) 5.482 21.942 ( 5.387 8.756 5.487) 11.653 22.238 ( 5.645 9.763 -17.809) 21.079 22.285 ( -0.513 -0.875 0.731) 1.250 22.310 ( 0.984 1.696 -4.091) 4.536 23.257 ( -1.483 -2.416 18.291) 18.509 23.319 ( 0.062 -0.099 19.237) 19.238 23.605 ( -1.145 -1.857 -17.130) 17.269 23.661 ( 0.217 0.265 -15.967) 15.971 24.987 ( -2.180 -3.345 6.846) 7.925 25.085 ( -3.297 -5.971 -1.672) 7.023 25.401 ( -0.320 1.695 1.719) 2.435 25.439 ( 1.802 -0.372 -0.927) 2.061 25.491 ( 0.853 2.323 0.859) 2.619 25.523 ( 0.414 0.952 -1.602) 1.909 26.210 ( -4.131 -7.141 16.686) 18.614 26.492 ( -3.942 -6.829 -12.210) 14.534 ======================= Grid point 157 (31/36) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.125 7.582 10.532) 12.978 1.452 ( 3.311 7.006 2.174) 8.048 1.534 ( 11.965 5.749 4.215) 13.927 1.561 ( 1.896 1.649 -3.782) 4.540 1.740 ( 0.358 -4.520 2.961) 5.416 1.757 ( -2.579 2.294 1.753) 3.871 1.796 ( -1.246 -3.191 -1.601) 3.781 1.825 ( -0.538 -1.679 -3.768) 4.160 1.921 ( -1.723 -1.774 1.551) 2.919 1.943 ( -2.238 -0.927 -0.391) 2.454 1.965 ( -2.892 -1.325 -1.161) 3.386 2.002 ( -1.853 -0.823 -3.441) 3.994 2.271 ( -1.091 -3.412 6.667) 7.568 2.363 ( -1.397 -4.719 -2.289) 5.428 2.589 ( -5.344 3.393 4.563) 7.803 2.590 ( -0.977 7.393 1.104) 7.538 2.872 ( -1.150 1.077 18.979) 19.044 2.939 ( -1.819 -0.540 18.638) 18.734 3.083 ( 9.424 4.918 24.049) 26.293 3.167 ( 3.623 -8.203 6.962) 11.352 3.353 ( -0.348 -0.339 -16.182) 16.189 3.371 ( 5.360 1.357 -18.084) 18.911 3.544 ( -2.985 -5.171 -12.582) 13.927 3.712 ( 0.321 -0.922 -18.634) 18.659 4.020 ( -3.866 -0.496 -4.854) 6.225 4.049 ( -2.514 -1.323 -2.321) 3.669 4.299 ( -13.983 7.090 11.634) 19.522 4.340 ( 5.566 -10.390 3.325) 12.247 4.405 ( 1.900 -6.587 -2.887) 7.439 4.563 ( -8.965 5.178 -13.175) 16.756 4.883 ( 5.268 -1.006 8.353) 9.926 5.039 ( 2.521 1.664 -4.717) 5.601 5.160 ( 5.766 2.715 -0.037) 6.373 5.237 ( 3.399 2.286 -5.768) 7.075 5.581 ( -5.887 -8.797 3.838) 11.260 5.624 ( -4.022 -6.282 -0.029) 7.459 6.215 ( -3.518 3.805 9.064) 10.440 6.283 ( -5.534 -2.570 1.686) 6.330 6.435 ( -0.880 -5.692 5.356) 7.865 6.543 ( 3.093 -5.176 -4.926) 7.786 7.051 ( -0.582 9.566 6.408) 11.529 7.190 ( 0.690 8.171 -6.551) 10.496 7.538 ( 1.169 -0.396 6.099) 6.223 7.652 ( -3.420 -3.430 3.978) 6.268 7.700 ( 3.312 -0.646 -9.155) 9.757 7.746 ( -0.647 -1.193 -4.891) 5.076 8.032 ( 4.809 1.234 1.970) 5.342 8.079 ( 4.659 2.471 -2.985) 6.060 8.345 ( 5.597 9.062 4.393) 11.522 8.451 ( 4.269 7.311 -5.914) 10.327 8.765 ( -3.111 -1.168 5.201) 6.172 8.808 ( 0.857 0.815 1.531) 1.934 9.735 ( -6.459 -8.075 2.095) 10.551 9.848 ( -7.536 -11.240 -8.843) 16.166 10.757 ( 1.695 0.559 3.207) 3.670 10.827 ( 0.504 0.430 -3.003) 3.075 10.965 ( 4.567 4.956 -1.476) 6.899 11.026 ( 3.689 4.685 -6.678) 8.953 11.575 ( -3.464 -4.492 0.158) 5.674 11.587 ( -3.203 -4.184 -1.152) 5.393 11.940 ( 0.092 4.647 11.351) 12.265 12.048 ( 0.149 -0.722 3.606) 3.680 12.142 ( 3.009 1.858 1.776) 3.958 12.172 ( 1.099 4.312 -6.298) 7.711 12.460 ( -3.263 -4.403 11.513) 12.751 12.700 ( -0.416 -2.021 -11.775) 11.955 13.918 ( 0.514 0.765 0.364) 0.991 13.924 ( 0.250 0.446 -0.197) 0.548 14.456 ( -0.338 -1.163 0.193) 1.227 14.459 ( -0.426 -0.416 -0.168) 0.618 14.858 ( 4.500 5.309 4.048) 8.051 14.968 ( 2.848 3.458 -7.555) 8.783 21.678 ( -0.468 1.572 7.526) 7.703 21.855 ( 0.447 -1.265 -10.390) 10.477 22.142 ( 6.379 7.613 12.079) 15.638 22.265 ( -0.465 -0.893 -0.850) 1.318 22.270 ( -0.309 -0.249 1.116) 1.185 22.497 ( 7.259 8.610 -20.446) 23.342 23.195 ( -2.992 -1.961 17.787) 18.143 23.315 ( 0.712 -2.116 18.712) 18.845 23.562 ( -2.309 -0.479 -17.576) 17.734 23.668 ( 0.755 -0.624 -15.968) 15.998 24.915 ( -4.212 0.463 8.593) 9.581 25.024 ( 1.012 -2.449 -1.603) 3.097 25.402 ( -0.488 0.236 2.526) 2.584 25.454 ( 0.115 -1.508 -1.435) 2.085 25.514 ( 1.322 -0.679 0.869) 1.721 25.536 ( -0.198 1.565 -1.021) 1.879 26.098 ( -2.788 -3.209 14.001) 14.632 26.365 ( -3.695 -4.416 -12.674) 13.921 ======================= Grid point 158 (32/36) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.386 5.987 6.015) 8.495 1.499 ( -1.837 3.918 -0.517) 4.358 1.589 ( 1.994 -0.232 3.375) 3.927 1.673 ( -1.869 -2.416 -2.280) 3.811 1.734 ( 0.680 1.031 5.499) 5.636 1.755 ( 2.204 -1.099 1.331) 2.800 1.777 ( 1.987 1.084 -1.544) 2.740 1.841 ( -3.892 0.715 6.722) 7.801 1.854 ( 2.739 -0.988 -4.245) 5.148 1.879 ( -3.107 0.290 1.300) 3.380 1.903 ( -3.376 -0.934 -1.393) 3.770 1.996 ( -1.167 1.677 -6.665) 6.971 2.277 ( -0.360 -0.822 9.943) 9.983 2.333 ( 3.836 5.289 4.858) 8.141 2.511 ( -3.017 -1.408 6.249) 7.081 2.667 ( -2.178 6.496 -3.902) 7.884 2.812 ( -5.343 -2.973 14.370) 15.617 2.858 ( -4.148 3.057 10.835) 11.998 3.109 ( 4.511 -12.010 8.391) 15.329 3.281 ( 7.847 3.165 0.852) 8.504 3.394 ( 7.914 -2.231 -7.519) 11.142 3.482 ( -0.036 0.246 -11.469) 11.472 3.577 ( 5.000 -1.476 -2.425) 5.750 3.742 ( 2.092 3.418 -4.712) 6.186 3.898 ( -6.955 -4.810 -3.205) 9.043 3.939 ( 1.862 -6.943 -14.650) 16.319 4.129 ( -13.247 3.636 13.429) 19.211 4.347 ( -5.899 -0.933 -6.564) 8.875 4.404 ( 5.914 1.911 1.489) 6.391 4.507 ( -1.775 6.218 -10.008) 11.915 4.962 ( 5.375 -2.496 6.563) 8.843 5.077 ( 1.690 -1.413 -4.151) 4.699 5.216 ( -1.423 -1.093 4.567) 4.907 5.273 ( 1.633 -1.493 -1.442) 2.641 5.480 ( 1.440 -3.767 -1.499) 4.302 5.520 ( -1.760 -5.486 -4.373) 7.233 6.176 ( -2.782 3.123 5.133) 6.621 6.199 ( -2.332 0.788 2.354) 3.406 6.405 ( 0.255 -2.153 9.489) 9.734 6.552 ( 3.344 -5.278 -4.783) 7.869 7.101 ( -4.773 10.324 6.641) 13.171 7.250 ( -3.980 9.409 -7.895) 12.912 7.515 ( -1.739 -0.832 9.027) 9.231 7.614 ( 1.605 -2.495 6.002) 6.695 7.699 ( -0.010 -0.806 -8.286) 8.325 7.784 ( 3.455 -2.097 -9.865) 10.661 8.115 ( 3.494 -0.586 2.737) 4.477 8.166 ( 3.893 -1.781 -2.291) 4.856 8.498 ( 2.876 7.179 6.029) 9.806 8.568 ( 2.047 4.242 -2.105) 5.159 8.651 ( -5.807 -2.729 6.148) 8.886 8.841 ( -0.005 3.120 -10.117) 10.588 9.577 ( -2.656 -5.475 4.203) 7.396 9.684 ( -0.921 -7.100 -6.687) 9.797 10.776 ( 0.452 -0.245 2.289) 2.346 10.844 ( 2.016 -1.742 -4.691) 5.395 11.061 ( 0.515 4.454 0.545) 4.517 11.131 ( 3.209 2.363 -6.245) 7.408 11.487 ( -1.662 -2.954 0.344) 3.407 11.503 ( -1.982 -2.634 -1.350) 3.562 11.961 ( -1.770 3.611 11.901) 12.562 12.061 ( 1.156 0.394 5.923) 6.047 12.191 ( -0.222 1.479 -5.083) 5.298 12.226 ( -0.241 5.055 -3.820) 6.341 12.376 ( -1.268 -3.512 15.316) 15.765 12.672 ( 0.987 -3.654 -13.730) 14.242 13.931 ( -0.006 0.619 0.314) 0.694 13.935 ( 0.232 0.562 -0.089) 0.615 14.439 ( 0.013 -1.300 0.586) 1.426 14.451 ( 0.083 -0.446 -0.623) 0.770 14.952 ( 1.668 2.466 2.092) 3.639 15.011 ( 0.315 0.661 -4.046) 4.111 21.681 ( -1.416 2.340 7.041) 7.553 21.853 ( 0.855 -1.523 -10.803) 10.943 22.233 ( 0.482 0.175 1.266) 1.366 22.250 ( -0.167 -0.643 -1.087) 1.274 22.315 ( 2.305 3.063 13.701) 14.227 22.657 ( 3.028 4.252 -20.919) 21.561 23.131 ( -2.320 -0.515 18.842) 18.991 23.304 ( 1.620 -3.975 17.090) 17.621 23.528 ( -2.064 1.782 -16.753) 16.974 23.673 ( 0.923 -1.407 -16.000) 16.088 24.871 ( -2.888 3.170 11.425) 12.204 25.040 ( 1.302 -0.152 -5.837) 5.983 25.389 ( 1.053 -3.396 6.167) 7.119 25.429 ( -0.702 -0.684 1.363) 1.679 25.523 ( -1.343 1.451 -1.416) 2.432 25.548 ( 1.454 -0.792 -3.197) 3.600 26.049 ( -0.782 -0.883 11.988) 12.046 26.292 ( -1.175 -1.734 -12.193) 12.372 ======================= Grid point 159 (33/36) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -3.446 5.063 4.736) 7.742 1.515 ( -2.064 4.518 -4.165) 6.482 1.585 ( -4.375 -4.623 7.751) 10.030 1.620 ( 0.086 -0.756 3.824) 3.899 1.708 ( -0.722 -1.260 -1.559) 2.130 1.736 ( -1.462 -2.880 -1.909) 3.752 1.777 ( -0.887 -1.048 0.965) 1.678 1.810 ( 2.450 -1.043 -2.289) 3.512 1.852 ( 1.050 4.063 3.187) 5.269 1.915 ( 1.410 1.412 -1.995) 2.822 1.937 ( 1.267 2.479 1.363) 3.100 1.978 ( -1.365 1.547 -3.125) 3.745 2.287 ( 1.555 0.650 16.002) 16.090 2.433 ( -5.011 -3.017 2.970) 6.560 2.494 ( 1.999 8.851 3.276) 9.647 2.591 ( -0.472 -0.639 -3.030) 3.133 2.829 ( 0.310 6.367 15.067) 16.360 2.847 ( 0.655 2.743 6.772) 7.336 3.102 ( 6.859 -8.894 8.371) 14.008 3.320 ( -4.161 -8.400 4.185) 10.266 3.421 ( -5.904 -0.572 -6.970) 9.153 3.490 ( 1.961 -1.490 -8.347) 8.703 3.577 ( 7.602 -5.679 -9.415) 13.367 3.721 ( -5.937 -5.023 -11.994) 14.294 3.910 ( 9.296 0.174 2.041) 9.519 3.943 ( -8.071 12.246 11.986) 18.941 4.055 ( 10.108 -4.808 -9.739) 14.836 4.215 ( -8.271 4.058 -10.858) 14.240 4.522 ( 3.256 3.047 1.662) 4.760 4.587 ( 1.346 7.562 -5.022) 9.177 4.988 ( 0.716 -5.863 3.480) 6.856 5.079 ( 1.617 -2.752 -4.356) 5.400 5.142 ( -2.066 -2.295 9.546) 10.033 5.291 ( -1.041 -0.429 -5.357) 5.474 5.451 ( 2.522 -4.349 0.122) 5.029 5.516 ( 4.474 -1.178 -4.444) 6.415 6.196 ( 0.042 4.857 6.360) 8.003 6.237 ( 3.125 4.621 1.995) 5.924 6.377 ( -0.080 -3.263 10.017) 10.535 6.548 ( 2.864 -5.904 -6.267) 9.074 7.097 ( -7.025 9.177 6.574) 13.296 7.243 ( -6.695 7.778 -7.546) 12.738 7.515 ( 1.520 0.863 7.859) 8.051 7.612 ( 1.299 -2.199 4.806) 5.442 7.707 ( 1.282 -0.500 -6.849) 6.986 7.789 ( 0.544 -3.515 -8.912) 9.596 8.121 ( -1.395 -4.169 1.702) 4.714 8.137 ( -2.035 -3.950 -0.011) 4.444 8.517 ( -6.705 -0.553 0.319) 6.736 8.544 ( -4.827 1.823 -0.512) 5.185 8.667 ( 5.543 4.028 8.026) 10.553 8.852 ( -2.245 1.806 -8.408) 8.888 9.586 ( 6.447 0.411 2.646) 6.981 9.670 ( 5.894 -3.831 -6.043) 9.270 10.772 ( -0.268 -0.739 2.550) 2.668 10.856 ( 1.579 -2.240 -6.114) 6.700 11.046 ( -5.368 1.155 2.468) 6.020 11.141 ( -3.001 -0.998 -6.940) 7.626 11.487 ( 3.386 -0.185 0.041) 3.392 11.496 ( 2.773 0.307 -0.975) 2.955 11.970 ( -1.813 3.987 11.995) 12.770 12.071 ( 0.079 -1.196 8.690) 8.772 12.166 ( -2.755 0.782 -6.090) 6.730 12.233 ( -4.090 2.711 -7.001) 8.549 12.377 ( 3.870 -0.760 16.430) 16.897 12.675 ( 2.808 -2.515 -13.607) 14.119 13.930 ( -0.578 0.257 0.394) 0.745 13.935 ( -0.561 0.136 -0.158) 0.598 14.436 ( 0.767 -0.673 0.953) 1.396 14.455 ( 0.809 -0.225 -1.049) 1.343 14.949 ( -3.102 -0.307 2.311) 3.880 15.012 ( -0.724 0.086 -4.216) 4.279 21.677 ( -1.584 2.150 7.402) 7.869 21.855 ( 1.036 -1.323 -11.139) 11.265 22.236 ( -0.082 -0.189 0.601) 0.635 22.250 ( 0.589 -0.219 -0.892) 1.091 22.315 ( -3.918 -0.481 14.082) 14.625 22.657 ( -5.171 -0.477 -20.933) 21.568 23.132 ( 1.677 1.841 18.873) 19.037 23.301 ( 2.431 -3.522 17.068) 17.596 23.530 ( -0.383 2.748 -16.660) 16.890 23.671 ( 0.683 -1.581 -16.040) 16.132 24.877 ( -0.959 4.488 11.208) 12.111 25.038 ( -0.588 -1.435 -5.433) 5.650 25.397 ( 3.864 -3.236 5.798) 7.682 25.423 ( -0.270 0.929 1.172) 1.519 25.503 ( -1.675 0.370 -0.000) 1.715 25.562 ( 0.535 -0.348 -4.202) 4.250 26.049 ( 1.193 0.258 11.954) 12.016 26.292 ( 2.093 0.154 -12.180) 12.359 ======================= Grid point 160 (34/36) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -8.546 5.914 7.352) 12.730 1.435 ( -6.678 -6.025 8.828) 12.602 1.472 ( -7.814 -0.294 -0.067) 7.820 1.589 ( -5.404 -3.653 -5.261) 8.380 1.671 ( 4.658 2.597 4.273) 6.834 1.764 ( 2.795 1.676 -3.068) 4.476 1.809 ( 2.334 -0.579 0.758) 2.521 1.841 ( 2.480 -1.490 -2.099) 3.574 1.917 ( 1.088 1.209 1.391) 2.140 1.946 ( 1.184 0.850 -1.100) 1.826 1.973 ( 3.179 1.510 -0.975) 3.652 1.992 ( 1.501 1.679 -1.943) 2.975 2.312 ( 2.548 -2.559 4.645) 5.883 2.347 ( 1.723 -2.156 2.367) 3.636 2.561 ( -3.977 7.469 4.537) 9.602 2.652 ( 1.750 3.317 -3.456) 5.100 2.855 ( -0.661 2.594 22.319) 22.479 2.921 ( 1.440 1.532 14.490) 14.642 3.075 ( -9.172 -6.023 26.362) 28.554 3.195 ( 7.046 -6.091 4.499) 10.343 3.315 ( -6.262 -4.778 -8.056) 11.267 3.399 ( -0.934 -0.730 -23.205) 23.235 3.623 ( 5.148 -5.602 -13.673) 15.647 3.688 ( 3.014 0.814 -17.674) 17.948 3.972 ( 0.048 6.874 2.924) 7.470 4.071 ( -2.330 2.701 -7.898) 8.666 4.139 ( 9.619 6.141 7.228) 13.509 4.293 ( 8.012 3.657 -6.575) 10.990 4.546 ( 0.439 -4.828 4.237) 6.439 4.661 ( -0.393 3.732 -7.396) 8.293 4.882 ( -2.762 -6.931 8.346) 11.195 5.072 ( -1.264 -0.696 -8.496) 8.618 5.089 ( -4.173 -2.249 5.190) 7.029 5.213 ( -4.675 -0.028 -7.671) 8.983 5.568 ( 10.883 1.531 4.132) 11.741 5.618 ( 7.840 0.763 -0.582) 7.899 6.231 ( -3.001 4.069 11.431) 12.500 6.346 ( 2.808 1.717 0.254) 3.301 6.388 ( 7.463 -1.229 7.329) 10.532 6.547 ( 4.400 -5.780 -7.664) 10.560 7.038 ( -8.613 6.007 6.497) 12.348 7.180 ( -7.277 4.085 -6.731) 10.721 7.532 ( -0.137 -0.973 5.540) 5.626 7.663 ( 4.930 1.201 1.038) 5.179 7.701 ( -0.867 -3.328 -5.762) 6.711 7.764 ( 1.123 -1.119 -4.025) 4.326 8.014 ( -3.839 -2.856 2.122) 5.235 8.063 ( -4.490 -1.551 -2.799) 5.514 8.355 ( -10.519 -1.225 2.842) 10.965 8.448 ( -7.878 0.340 -5.706) 9.734 8.785 ( 3.339 2.032 4.876) 6.249 8.804 ( -2.791 -1.290 3.077) 4.350 9.740 ( 9.583 1.282 1.150) 9.737 9.837 ( 14.314 1.499 -8.543) 16.737 10.752 ( -1.200 -0.827 3.373) 3.674 10.853 ( 0.480 -2.020 -6.741) 7.053 10.932 ( -7.753 0.558 3.074) 8.359 11.041 ( -6.047 -1.666 -7.572) 9.832 11.574 ( 5.726 0.706 -0.156) 5.772 11.580 ( 5.216 1.248 -0.718) 5.411 11.948 ( -4.527 1.931 11.545) 12.550 12.059 ( 0.874 -1.859 6.352) 6.676 12.132 ( -2.109 0.147 -1.966) 2.887 12.166 ( -4.997 0.899 -6.083) 7.924 12.461 ( 5.370 0.561 11.898) 13.066 12.703 ( 1.866 -0.792 -11.716) 11.890 13.918 ( -0.871 -0.032 0.413) 0.964 13.924 ( -0.563 -0.020 -0.232) 0.609 14.449 ( 0.928 0.110 0.961) 1.340 14.468 ( 0.810 -0.354 -1.036) 1.362 14.855 ( -6.796 -1.093 4.242) 8.086 14.968 ( -4.451 -0.757 -7.659) 8.891 21.672 ( -1.089 1.442 8.101) 8.300 21.860 ( 0.942 -1.156 -11.138) 11.238 22.145 ( -10.038 -1.954 12.113) 15.853 22.264 ( 0.977 0.075 -0.233) 1.007 22.271 ( 0.534 0.122 0.554) 0.779 22.498 ( -11.107 -2.002 -20.411) 23.324 23.197 ( 3.164 1.557 17.775) 18.121 23.312 ( 1.572 -1.510 18.690) 18.817 23.564 ( 1.513 1.657 -17.451) 17.595 23.666 ( 0.201 -0.905 -16.025) 16.052 24.924 ( 1.434 3.794 8.134) 9.089 25.019 ( 1.749 -2.275 -0.950) 3.023 25.420 ( -0.042 0.369 0.295) 0.474 25.436 ( 0.768 -0.897 -0.304) 1.220 25.492 ( 0.628 0.425 3.535) 3.615 25.553 ( -1.249 -0.478 -2.730) 3.040 26.099 ( 4.149 0.777 13.958) 14.583 26.365 ( 5.668 0.990 -12.664) 13.910 ======================= Grid point 165 (35/36) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -1.297 6.816 7.605) 10.294 1.537 ( 4.018 0.657 7.871) 8.862 1.587 ( -0.011 2.383 -3.257) 4.035 1.625 ( 2.894 0.118 -0.752) 2.992 1.672 ( 3.891 1.517 3.614) 5.523 1.736 ( -1.264 -3.311 -1.930) 4.036 1.767 ( 0.332 0.421 -0.451) 0.701 1.804 ( 0.934 -0.614 -3.626) 3.794 1.906 ( -0.279 -0.605 1.767) 1.888 1.927 ( -1.081 -0.422 -0.748) 1.381 1.943 ( -1.808 0.588 1.665) 2.527 2.000 ( -0.037 -1.316 -2.444) 2.776 2.291 ( -0.104 1.549 7.287) 7.451 2.356 ( 1.526 7.987 3.326) 8.785 2.569 ( -4.805 -4.258 15.102) 16.410 2.687 ( 5.630 -1.232 -0.117) 5.765 2.866 ( -3.664 -4.914 11.795) 13.292 2.954 ( 2.097 4.137 12.193) 13.045 2.984 ( -3.748 -7.071 5.131) 9.507 3.152 ( 1.595 5.836 14.045) 15.292 3.389 ( -2.531 3.227 -25.611) 25.938 3.444 ( 5.077 3.756 -9.339) 11.274 3.494 ( -2.208 -1.151 -11.240) 11.513 3.705 ( 2.840 -0.526 -14.204) 14.495 3.917 ( -5.785 -8.846 2.534) 10.869 3.972 ( -7.641 -5.948 -4.435) 10.650 4.212 ( 12.623 -3.033 6.338) 14.447 4.316 ( 4.519 0.990 -2.458) 5.238 4.441 ( -9.021 4.746 6.995) 12.363 4.637 ( -4.392 1.251 -11.205) 12.100 4.883 ( 0.239 1.339 8.656) 8.763 5.034 ( -1.067 -3.321 -3.136) 4.690 5.190 ( 5.376 1.011 0.579) 5.501 5.266 ( -0.672 3.079 -5.636) 6.457 5.419 ( -2.048 -7.002 2.960) 7.873 5.505 ( -3.130 -5.642 -4.906) 8.105 6.237 ( -2.969 -2.052 5.020) 6.182 6.278 ( -4.103 -0.127 1.557) 4.390 6.355 ( 3.748 -0.023 9.137) 9.876 6.478 ( -0.407 -1.540 -2.573) 3.026 7.227 ( 4.466 7.293 5.754) 10.307 7.349 ( 4.532 6.834 -4.878) 9.541 7.527 ( 0.164 -0.410 4.911) 4.931 7.579 ( -2.312 -3.201 6.610) 7.699 7.690 ( -0.076 -0.323 -10.079) 10.084 7.728 ( -1.614 -1.101 -7.814) 8.054 8.066 ( 1.769 2.260 2.501) 3.807 8.110 ( 1.227 0.689 -1.986) 2.434 8.506 ( 3.793 6.751 4.196) 8.807 8.572 ( 2.875 4.147 -2.818) 5.780 8.707 ( -3.177 -3.743 7.536) 8.994 8.867 ( 1.965 4.320 -6.947) 8.414 9.591 ( -5.477 -5.688 -0.177) 7.899 9.625 ( -3.416 -10.353 -3.912) 11.583 10.767 ( 0.639 0.521 1.270) 1.513 10.821 ( -1.192 -0.758 -4.013) 4.254 11.070 ( 4.039 5.041 -0.643) 6.491 11.119 ( 1.480 4.183 -5.432) 7.013 11.486 ( -2.203 -3.984 0.476) 4.577 11.503 ( -1.852 -3.789 -1.389) 4.440 12.020 ( -1.596 -0.522 9.449) 9.597 12.058 ( 3.226 5.230 12.650) 14.064 12.163 ( 1.482 0.485 -2.293) 2.773 12.280 ( 2.721 5.235 -7.489) 9.534 12.370 ( -2.063 -3.875 11.380) 12.197 12.636 ( -2.681 -4.215 -12.829) 13.767 13.934 ( 0.545 0.687 0.213) 0.902 13.936 ( 0.270 0.721 0.061) 0.772 14.429 ( -0.516 -1.149 0.913) 1.556 14.449 ( -0.627 -0.665 -1.096) 1.427 14.947 ( 2.227 3.569 2.391) 4.839 15.012 ( 0.527 1.012 -4.357) 4.504 21.713 ( 1.447 1.832 4.346) 4.934 21.830 ( -1.010 -1.271 -7.637) 7.808 22.231 ( 0.201 0.713 1.380) 1.566 22.247 ( -0.395 -0.785 -0.932) 1.281 22.310 ( 2.560 4.407 13.327) 14.268 22.651 ( 3.591 6.278 -20.610) 21.843 23.161 ( -0.988 -1.445 17.682) 17.768 23.255 ( -1.670 -3.339 17.237) 17.637 23.566 ( 0.207 0.620 -16.282) 16.296 23.648 ( -0.564 -1.203 -16.148) 16.203 24.953 ( -0.015 2.025 5.682) 6.032 24.997 ( 1.185 0.481 2.201) 2.546 25.359 ( -2.526 -4.070 5.710) 7.453 25.437 ( -0.072 -0.139 -2.955) 2.959 25.510 ( 1.638 0.471 0.829) 1.895 25.553 ( -0.880 0.062 -2.905) 3.036 26.052 ( -0.864 -1.433 11.911) 12.028 26.294 ( -1.483 -2.560 -12.137) 12.493 ======================= Grid point 166 (36/36) ======================= q-point: ( 0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -1.282 3.653 5.697) 6.888 1.562 ( 0.999 -2.068 4.657) 5.192 1.594 ( -1.540 4.435 -2.292) 5.225 1.644 ( -0.544 -1.027 -2.286) 2.565 1.687 ( 1.131 -2.142 1.547) 2.874 1.712 ( 0.251 -2.245 -1.111) 2.517 1.804 ( -1.187 0.803 -1.207) 1.874 1.823 ( -0.898 -0.610 -2.616) 2.832 1.893 ( -2.219 2.382 1.904) 3.771 1.915 ( -0.099 1.281 -0.449) 1.360 1.944 ( 0.769 2.861 3.407) 4.515 1.981 ( 0.606 -1.831 -0.755) 2.071 2.312 ( -1.970 4.353 21.291) 21.820 2.445 ( 0.919 -3.941 12.166) 12.821 2.548 ( 2.646 12.430 5.398) 13.808 2.660 ( -10.863 -4.650 1.958) 11.978 2.770 ( 6.541 -3.134 5.503) 9.104 2.878 ( 4.833 -8.184 1.172) 9.576 3.030 ( -7.657 12.168 10.396) 17.742 3.302 ( 7.235 -4.208 -0.758) 8.404 3.402 ( -0.691 1.827 -13.049) 13.194 3.437 ( -0.069 -7.266 -1.237) 7.371 3.478 ( 1.324 -1.055 -18.822) 18.898 3.732 ( 0.592 -4.845 -17.800) 18.457 3.814 ( -1.002 -0.650 1.568) 1.971 3.852 ( 5.454 -1.187 -2.297) 6.036 4.244 ( -10.991 7.893 12.124) 18.169 4.367 ( -1.725 2.643 -1.381) 3.445 4.441 ( 5.417 -2.265 4.802) 7.586 4.618 ( 0.114 3.281 -11.332) 11.798 4.912 ( 2.196 -1.504 6.664) 7.176 4.974 ( 1.962 -6.338 3.115) 7.330 5.228 ( -4.794 2.347 2.049) 5.717 5.291 ( 2.832 4.044 -2.655) 5.606 5.385 ( -2.122 -7.361 -6.222) 9.869 5.411 ( 4.961 -2.733 -6.011) 8.259 6.207 ( 0.275 0.436 4.764) 4.792 6.244 ( 0.125 1.259 1.134) 1.700 6.392 ( -1.687 1.501 7.529) 7.861 6.464 ( 1.872 -3.356 0.334) 3.857 7.305 ( -5.340 9.198 6.164) 12.293 7.431 ( -2.781 4.298 -3.568) 6.240 7.506 ( 0.142 -0.096 9.147) 9.148 7.558 ( -0.053 0.059 1.977) 1.979 7.692 ( -0.126 -0.647 -9.805) 9.828 7.704 ( 3.881 -5.351 -9.832) 11.848 8.099 ( 0.660 -0.652 1.370) 1.655 8.114 ( 0.442 -1.950 -0.224) 2.012 8.602 ( -2.607 0.736 0.906) 2.857 8.618 ( 1.626 1.597 0.103) 2.282 8.629 ( -1.024 1.451 12.075) 12.205 8.924 ( -1.799 3.503 -15.266) 15.766 9.497 ( 1.764 -1.584 2.262) 3.277 9.540 ( 2.524 -6.081 -2.197) 6.941 10.776 ( -0.456 0.466 -0.174) 0.675 10.807 ( 1.269 -1.691 -3.333) 3.947 11.133 ( -1.931 2.521 -1.396) 3.468 11.162 ( 0.187 0.468 -4.338) 4.367 11.442 ( 0.744 -1.338 0.659) 1.667 11.462 ( 0.554 -1.172 -1.506) 1.987 12.004 ( 0.004 0.389 10.469) 10.476 12.124 ( -2.558 5.575 11.071) 12.657 12.191 ( -1.010 -1.107 -4.160) 4.422 12.267 ( 3.073 -3.516 15.146) 15.849 12.391 ( -4.201 6.624 -8.561) 11.611 12.571 ( 3.644 -6.011 -12.841) 14.639 13.942 ( -0.284 0.422 0.268) 0.575 13.944 ( -0.120 0.278 0.045) 0.306 14.417 ( 0.350 -0.666 1.043) 1.286 14.440 ( 0.323 -0.448 -1.287) 1.400 14.990 ( -0.889 1.352 0.563) 1.713 15.015 ( 0.205 -0.228 -2.032) 2.055 21.738 ( -1.946 3.062 2.047) 4.166 21.812 ( 1.553 -2.447 -5.623) 6.326 22.233 ( 0.058 0.014 -0.324) 0.329 22.239 ( 0.221 -0.444 -0.891) 1.020 22.361 ( -0.717 1.269 15.592) 15.660 22.719 ( -0.971 1.709 -21.349) 21.439 23.144 ( -0.962 1.789 18.433) 18.545 23.217 ( 2.217 -4.029 16.738) 17.358 23.574 ( -1.336 2.430 -15.889) 16.130 23.633 ( 1.257 -2.285 -16.192) 16.401 24.960 ( -2.431 4.760 6.525) 8.434 25.029 ( 0.622 -1.451 -0.561) 1.675 25.304 ( 1.980 -3.417 10.257) 10.991 25.435 ( -0.237 0.447 -4.049) 4.081 25.529 ( -1.122 -0.282 -1.232) 1.690 25.541 ( 1.150 0.003 -2.377) 2.641 26.038 ( 0.145 -0.228 11.155) 11.159 26.268 ( 0.355 -0.611 -11.766) 11.787 =================== 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 3/28800 10.0 112.105 112.105 162.699 -0.000 -0.000 0.000 3/28800 20.0 24.242 24.242 34.950 0.000 -0.000 0.000 3/28800 30.0 11.362 11.362 16.668 0.000 -0.000 0.000 3/28800 40.0 7.199 7.199 10.916 0.000 -0.000 0.000 3/28800 50.0 5.293 5.293 8.242 0.000 -0.000 0.000 3/28800 60.0 4.223 4.223 6.691 0.000 -0.000 0.000 3/28800 70.0 3.538 3.538 5.663 0.000 -0.000 0.000 3/28800 80.0 3.058 3.058 4.924 0.000 -0.000 0.000 3/28800 90.0 2.700 2.700 4.362 0.000 -0.000 0.000 3/28800 100.0 2.422 2.422 3.918 0.000 -0.000 0.000 3/28800 110.0 2.198 2.198 3.558 0.000 -0.000 0.000 3/28800 120.0 2.013 2.013 3.260 0.000 -0.000 0.000 3/28800 130.0 1.857 1.857 3.009 0.000 -0.000 0.000 3/28800 140.0 1.725 1.725 2.796 0.000 -0.000 0.000 3/28800 150.0 1.610 1.610 2.612 0.000 -0.000 0.000 3/28800 160.0 1.510 1.510 2.453 0.000 -0.000 0.000 3/28800 170.0 1.422 1.422 2.313 0.000 -0.000 0.000 3/28800 180.0 1.344 1.344 2.190 0.000 -0.000 0.000 3/28800 190.0 1.274 1.274 2.081 0.000 -0.000 0.000 3/28800 200.0 1.212 1.212 1.983 0.000 -0.000 0.000 3/28800 210.0 1.155 1.155 1.895 0.000 -0.000 0.000 3/28800 220.0 1.103 1.103 1.815 0.000 -0.000 0.000 3/28800 230.0 1.056 1.056 1.743 0.000 -0.000 0.000 3/28800 240.0 1.013 1.013 1.676 0.000 -0.000 0.000 3/28800 250.0 0.974 0.974 1.616 0.000 -0.000 0.000 3/28800 260.0 0.937 0.937 1.560 0.000 -0.000 0.000 3/28800 270.0 0.903 0.903 1.508 0.000 -0.000 0.000 3/28800 280.0 0.872 0.872 1.460 0.000 -0.000 0.000 3/28800 290.0 0.842 0.842 1.415 0.000 -0.000 0.000 3/28800 300.0 0.815 0.815 1.373 0.000 -0.000 0.000 3/28800 310.0 0.789 0.789 1.333 0.000 -0.000 0.000 3/28800 320.0 0.765 0.765 1.296 0.000 -0.000 0.000 3/28800 330.0 0.743 0.743 1.262 0.000 -0.000 0.000 3/28800 340.0 0.721 0.721 1.229 0.000 -0.000 0.000 3/28800 350.0 0.701 0.701 1.198 0.000 -0.000 0.000 3/28800 360.0 0.682 0.682 1.168 0.000 -0.000 0.000 3/28800 370.0 0.664 0.664 1.140 0.000 -0.000 0.000 3/28800 380.0 0.647 0.647 1.113 0.000 -0.000 0.000 3/28800 390.0 0.631 0.631 1.088 0.000 -0.000 0.000 3/28800 400.0 0.616 0.616 1.064 0.000 -0.000 0.000 3/28800 410.0 0.601 0.601 1.040 0.000 -0.000 0.000 3/28800 420.0 0.587 0.587 1.018 0.000 -0.000 0.000 3/28800 430.0 0.574 0.574 0.997 0.000 -0.000 0.000 3/28800 440.0 0.561 0.561 0.977 0.000 -0.000 0.000 3/28800 450.0 0.549 0.549 0.957 0.000 -0.000 0.000 3/28800 460.0 0.537 0.537 0.938 0.000 -0.000 0.000 3/28800 470.0 0.526 0.526 0.920 0.000 -0.000 0.000 3/28800 480.0 0.515 0.515 0.903 0.000 -0.000 0.000 3/28800 490.0 0.505 0.505 0.886 0.000 -0.000 0.000 3/28800 500.0 0.495 0.495 0.870 0.000 -0.000 0.000 3/28800 510.0 0.486 0.486 0.855 0.000 -0.000 0.000 3/28800 520.0 0.477 0.477 0.839 0.000 -0.000 0.000 3/28800 530.0 0.468 0.468 0.825 0.000 -0.000 0.000 3/28800 540.0 0.459 0.459 0.811 0.000 -0.000 0.000 3/28800 550.0 0.451 0.451 0.797 0.000 -0.000 0.000 3/28800 560.0 0.443 0.443 0.784 0.000 -0.000 0.000 3/28800 570.0 0.435 0.435 0.772 0.000 -0.000 0.000 3/28800 580.0 0.428 0.428 0.759 0.000 -0.000 0.000 3/28800 590.0 0.421 0.421 0.747 0.000 -0.000 0.000 3/28800 600.0 0.414 0.414 0.736 0.000 -0.000 0.000 3/28800 610.0 0.407 0.407 0.725 0.000 -0.000 0.000 3/28800 620.0 0.401 0.401 0.714 0.000 -0.000 0.000 3/28800 630.0 0.395 0.395 0.703 0.000 -0.000 0.000 3/28800 640.0 0.389 0.389 0.693 0.000 -0.000 0.000 3/28800 650.0 0.383 0.383 0.683 0.000 -0.000 0.000 3/28800 660.0 0.377 0.377 0.673 0.000 -0.000 0.000 3/28800 670.0 0.371 0.371 0.664 0.000 -0.000 0.000 3/28800 680.0 0.366 0.366 0.655 0.000 -0.000 0.000 3/28800 690.0 0.361 0.361 0.646 0.000 -0.000 0.000 3/28800 700.0 0.356 0.356 0.637 0.000 -0.000 0.000 3/28800 710.0 0.351 0.351 0.629 0.000 -0.000 0.000 3/28800 720.0 0.346 0.346 0.621 0.000 -0.000 0.000 3/28800 730.0 0.341 0.341 0.613 0.000 -0.000 0.000 3/28800 740.0 0.337 0.337 0.605 0.000 -0.000 0.000 3/28800 750.0 0.332 0.332 0.597 0.000 -0.000 0.000 3/28800 760.0 0.328 0.328 0.590 0.000 -0.000 0.000 3/28800 770.0 0.324 0.324 0.582 0.000 -0.000 0.000 3/28800 780.0 0.320 0.320 0.575 0.000 -0.000 0.000 3/28800 790.0 0.316 0.316 0.568 0.000 -0.000 0.000 3/28800 800.0 0.312 0.312 0.562 0.000 -0.000 0.000 3/28800 810.0 0.308 0.308 0.555 0.000 -0.000 0.000 3/28800 820.0 0.304 0.304 0.549 0.000 -0.000 0.000 3/28800 830.0 0.301 0.301 0.542 0.000 -0.000 0.000 3/28800 840.0 0.297 0.297 0.536 0.000 -0.000 0.000 3/28800 850.0 0.294 0.294 0.530 0.000 -0.000 0.000 3/28800 860.0 0.290 0.290 0.524 0.000 -0.000 0.000 3/28800 870.0 0.287 0.287 0.518 0.000 -0.000 0.000 3/28800 880.0 0.284 0.284 0.513 0.000 -0.000 0.000 3/28800 890.0 0.281 0.281 0.507 0.000 -0.000 0.000 3/28800 900.0 0.278 0.278 0.502 0.000 -0.000 0.000 3/28800 910.0 0.275 0.275 0.496 0.000 -0.000 0.000 3/28800 920.0 0.272 0.272 0.491 0.000 -0.000 0.000 3/28800 930.0 0.269 0.269 0.486 0.000 -0.000 0.000 3/28800 940.0 0.266 0.266 0.481 0.000 -0.000 0.000 3/28800 950.0 0.263 0.263 0.476 0.000 -0.000 0.000 3/28800 960.0 0.260 0.260 0.472 0.000 -0.000 0.000 3/28800 970.0 0.258 0.258 0.467 0.000 -0.000 0.000 3/28800 980.0 0.255 0.255 0.462 0.000 -0.000 0.000 3/28800 990.0 0.253 0.253 0.458 0.000 -0.000 0.000 3/28800 1000.0 0.250 0.250 0.453 0.000 -0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:02:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|