----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:42:04]------------------------- 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: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947559999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.858155069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.654655819999999 Atomic positions (fractional): *1 O 0.27750365480008 0.43344552795850 0.03313019298053 15.999 2 O 0.27750365480008 0.06655447204150 0.96686980701947 15.999 3 O 0.72249634519992 0.93344552795850 0.46686980701947 15.999 4 O 0.72249634519992 0.56655447204150 0.53313019298053 15.999 5 O 0.72249634519992 0.56655447204150 0.96686980701947 15.999 6 O 0.72249634519992 0.93344552795850 0.03313019298053 15.999 7 O 0.27750365480008 0.06655447204150 0.53313019298053 15.999 8 O 0.27750365480008 0.43344552795850 0.46686980701947 15.999 *9 O 0.05799420181911 0.74202261340785 0.12202612326053 15.999 10 O 0.05799420181911 0.74202261340785 0.37797387673947 15.999 11 O 0.94200579818089 0.24202261340785 0.37797387673947 15.999 12 O 0.94200579818089 0.25797738659215 0.62202612326053 15.999 13 O 0.94200579818089 0.25797738659215 0.87797387673947 15.999 14 O 0.94200579818089 0.24202261340785 0.12202612326053 15.999 15 O 0.05799420181911 0.75797738659215 0.62202612326053 15.999 16 O 0.05799420181911 0.75797738659215 0.87797387673947 15.999 *17 Si 0.11184400449152 0.25000000000000 0.50000000000000 28.085 18 Si 0.88815599550848 0.75000000000000 0.50000000000000 28.085 19 Si 0.88815599550848 0.75000000000000 0.00000000000000 28.085 20 Si 0.11184400449152 0.25000000000000 0.00000000000000 28.085 *21 Se 0.58024640227754 0.87643516596171 0.75000000000000 78.960 22 Se 0.58024640227754 0.62356483403829 0.25000000000000 78.960 23 Se 0.41975359772246 0.37643516596171 0.75000000000000 78.960 24 Se 0.41975359772246 0.12356483403830 0.25000000000000 78.960 *25 Ho 0.60693120911149 0.25000000000000 0.50000000000000 164.930 26 Ho 0.60693120911149 0.25000000000000 0.00000000000000 164.930 27 Ho 0.39306879088851 0.75000000000000 0.50000000000000 164.930 28 Ho 0.39306879088851 0.75000000000000 0.00000000000000 164.930 *29 Ho 0.86802623027821 0.52762971705779 0.75000000000000 164.930 30 Ho 0.86802623027821 0.97237028294221 0.25000000000000 164.930 31 Ho 0.13197376972179 0.02762971705779 0.75000000000000 164.930 32 Ho 0.13197376972179 0.47237028294221 0.25000000000000 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.947559999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.858155069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.654655819999999 Atomic positions (fractional): *1 O 0.27750365480008 0.43344552795850 0.03313019298053 15.999 > 1 2 O 0.27750365480008 0.06655447204150 0.96686980701947 15.999 > 2 3 O 0.72249634519992 0.93344552795850 0.46686980701947 15.999 > 3 4 O 0.72249634519992 0.56655447204150 0.53313019298053 15.999 > 4 5 O 0.72249634519992 0.56655447204150 0.96686980701947 15.999 > 5 6 O 0.72249634519992 0.93344552795850 0.03313019298053 15.999 > 6 7 O 0.27750365480008 0.06655447204150 0.53313019298053 15.999 > 7 8 O 0.27750365480008 0.43344552795850 0.46686980701947 15.999 > 8 *9 O 0.05799420181911 0.74202261340785 0.12202612326053 15.999 > 9 10 O 0.05799420181911 0.74202261340785 0.37797387673947 15.999 > 10 11 O 0.94200579818089 0.24202261340785 0.37797387673947 15.999 > 11 12 O 0.94200579818089 0.25797738659215 0.62202612326053 15.999 > 12 13 O 0.94200579818089 0.25797738659215 0.87797387673947 15.999 > 13 14 O 0.94200579818089 0.24202261340785 0.12202612326053 15.999 > 14 15 O 0.05799420181911 0.75797738659215 0.62202612326053 15.999 > 15 16 O 0.05799420181911 0.75797738659215 0.87797387673947 15.999 > 16 *17 Si 0.11184400449152 0.25000000000000 0.50000000000000 28.085 > 17 18 Si 0.88815599550848 0.75000000000000 0.50000000000000 28.085 > 18 19 Si 0.88815599550848 0.75000000000000 0.00000000000000 28.085 > 19 20 Si 0.11184400449152 0.25000000000000 0.00000000000000 28.085 > 20 *21 Se 0.58024640227754 0.87643516596171 0.75000000000000 78.960 > 21 22 Se 0.58024640227754 0.62356483403829 0.25000000000000 78.960 > 22 23 Se 0.41975359772246 0.37643516596171 0.75000000000000 78.960 > 23 24 Se 0.41975359772246 0.12356483403830 0.25000000000000 78.960 > 24 *25 Ho 0.60693120911149 0.25000000000000 0.50000000000000 164.930 > 25 26 Ho 0.60693120911149 0.25000000000000 0.00000000000000 164.930 > 26 27 Ho 0.39306879088851 0.75000000000000 0.50000000000000 164.930 > 27 28 Ho 0.39306879088851 0.75000000000000 0.00000000000000 164.930 > 28 *29 Ho 0.86802623027821 0.52762971705779 0.75000000000000 164.930 > 29 30 Ho 0.86802623027821 0.97237028294221 0.25000000000000 164.930 > 30 31 Ho 0.13197376972179 0.02762971705779 0.75000000000000 164.930 > 31 32 Ho 0.13197376972179 0.47237028294221 0.25000000000000 164.930 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.895119999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.716310139999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.654655819999999 Atomic positions (fractional): *1 O 0.13875182740004 0.21672276397925 0.03313019298053 15.999 > 1 2 O 0.63875182740004 0.21672276397925 0.03313019298053 15.999 > 1 3 O 0.13875182740004 0.71672276397925 0.03313019298053 15.999 > 1 4 O 0.63875182740004 0.71672276397925 0.03313019298053 15.999 > 1 5 O 0.13875182740004 0.03327723602075 0.96686980701947 15.999 > 2 6 O 0.63875182740004 0.03327723602075 0.96686980701947 15.999 > 2 7 O 0.13875182740004 0.53327723602075 0.96686980701947 15.999 > 2 8 O 0.63875182740004 0.53327723602075 0.96686980701947 15.999 > 2 9 O 0.36124817259996 0.46672276397925 0.46686980701947 15.999 > 3 10 O 0.86124817259996 0.46672276397925 0.46686980701947 15.999 > 3 11 O 0.36124817259996 0.96672276397925 0.46686980701947 15.999 > 3 12 O 0.86124817259996 0.96672276397925 0.46686980701947 15.999 > 3 13 O 0.36124817259996 0.28327723602075 0.53313019298053 15.999 > 4 14 O 0.86124817259996 0.28327723602075 0.53313019298053 15.999 > 4 15 O 0.36124817259996 0.78327723602075 0.53313019298053 15.999 > 4 16 O 0.86124817259996 0.78327723602075 0.53313019298053 15.999 > 4 17 O 0.36124817259996 0.28327723602075 0.96686980701947 15.999 > 5 18 O 0.86124817259996 0.28327723602075 0.96686980701947 15.999 > 5 19 O 0.36124817259996 0.78327723602075 0.96686980701947 15.999 > 5 20 O 0.86124817259996 0.78327723602075 0.96686980701947 15.999 > 5 21 O 0.36124817259996 0.46672276397925 0.03313019298053 15.999 > 6 22 O 0.86124817259996 0.46672276397925 0.03313019298053 15.999 > 6 23 O 0.36124817259996 0.96672276397925 0.03313019298053 15.999 > 6 24 O 0.86124817259996 0.96672276397925 0.03313019298053 15.999 > 6 25 O 0.13875182740004 0.03327723602075 0.53313019298053 15.999 > 7 26 O 0.63875182740004 0.03327723602075 0.53313019298053 15.999 > 7 27 O 0.13875182740004 0.53327723602075 0.53313019298053 15.999 > 7 28 O 0.63875182740004 0.53327723602075 0.53313019298053 15.999 > 7 29 O 0.13875182740004 0.21672276397925 0.46686980701947 15.999 > 8 30 O 0.63875182740004 0.21672276397925 0.46686980701947 15.999 > 8 31 O 0.13875182740004 0.71672276397925 0.46686980701947 15.999 > 8 32 O 0.63875182740004 0.71672276397925 0.46686980701947 15.999 > 8 *33 O 0.02899710090955 0.37101130670393 0.12202612326053 15.999 > 9 34 O 0.52899710090955 0.37101130670393 0.12202612326053 15.999 > 9 35 O 0.02899710090955 0.87101130670393 0.12202612326053 15.999 > 9 36 O 0.52899710090955 0.87101130670393 0.12202612326053 15.999 > 9 37 O 0.02899710090955 0.37101130670393 0.37797387673947 15.999 > 10 38 O 0.52899710090955 0.37101130670393 0.37797387673947 15.999 > 10 39 O 0.02899710090955 0.87101130670393 0.37797387673947 15.999 > 10 40 O 0.52899710090955 0.87101130670393 0.37797387673947 15.999 > 10 41 O 0.47100289909045 0.12101130670393 0.37797387673947 15.999 > 11 42 O 0.97100289909045 0.12101130670393 0.37797387673947 15.999 > 11 43 O 0.47100289909045 0.62101130670393 0.37797387673947 15.999 > 11 44 O 0.97100289909045 0.62101130670393 0.37797387673947 15.999 > 11 45 O 0.47100289909045 0.12898869329607 0.62202612326053 15.999 > 12 46 O 0.97100289909045 0.12898869329607 0.62202612326053 15.999 > 12 47 O 0.47100289909045 0.62898869329607 0.62202612326053 15.999 > 12 48 O 0.97100289909045 0.62898869329607 0.62202612326053 15.999 > 12 49 O 0.47100289909045 0.12898869329607 0.87797387673947 15.999 > 13 50 O 0.97100289909045 0.12898869329607 0.87797387673947 15.999 > 13 51 O 0.47100289909045 0.62898869329607 0.87797387673947 15.999 > 13 52 O 0.97100289909045 0.62898869329607 0.87797387673947 15.999 > 13 53 O 0.47100289909045 0.12101130670393 0.12202612326053 15.999 > 14 54 O 0.97100289909045 0.12101130670393 0.12202612326053 15.999 > 14 55 O 0.47100289909045 0.62101130670393 0.12202612326053 15.999 > 14 56 O 0.97100289909045 0.62101130670393 0.12202612326053 15.999 > 14 57 O 0.02899710090955 0.37898869329607 0.62202612326053 15.999 > 15 58 O 0.52899710090955 0.37898869329607 0.62202612326053 15.999 > 15 59 O 0.02899710090955 0.87898869329607 0.62202612326053 15.999 > 15 60 O 0.52899710090955 0.87898869329607 0.62202612326053 15.999 > 15 61 O 0.02899710090955 0.37898869329607 0.87797387673947 15.999 > 16 62 O 0.52899710090955 0.37898869329607 0.87797387673947 15.999 > 16 63 O 0.02899710090955 0.87898869329607 0.87797387673947 15.999 > 16 64 O 0.52899710090955 0.87898869329607 0.87797387673947 15.999 > 16 *65 Si 0.05592200224576 0.12500000000000 0.50000000000000 28.085 > 17 66 Si 0.55592200224576 0.12500000000000 0.50000000000000 28.085 > 17 67 Si 0.05592200224576 0.62500000000000 0.50000000000000 28.085 > 17 68 Si 0.55592200224576 0.62500000000000 0.50000000000000 28.085 > 17 69 Si 0.44407799775424 0.37500000000000 0.50000000000000 28.085 > 18 70 Si 0.94407799775424 0.37500000000000 0.50000000000000 28.085 > 18 71 Si 0.44407799775424 0.87500000000000 0.50000000000000 28.085 > 18 72 Si 0.94407799775424 0.87500000000000 0.50000000000000 28.085 > 18 73 Si 0.44407799775424 0.37500000000000 0.00000000000000 28.085 > 19 74 Si 0.94407799775424 0.37500000000000 0.00000000000000 28.085 > 19 75 Si 0.44407799775424 0.87500000000000 0.00000000000000 28.085 > 19 76 Si 0.94407799775424 0.87500000000000 0.00000000000000 28.085 > 19 77 Si 0.05592200224576 0.12500000000000 0.00000000000000 28.085 > 20 78 Si 0.55592200224576 0.12500000000000 0.00000000000000 28.085 > 20 79 Si 0.05592200224576 0.62500000000000 0.00000000000000 28.085 > 20 80 Si 0.55592200224576 0.62500000000000 0.00000000000000 28.085 > 20 *81 Se 0.29012320113877 0.43821758298085 0.75000000000000 78.960 > 21 82 Se 0.79012320113877 0.43821758298085 0.75000000000000 78.960 > 21 83 Se 0.29012320113877 0.93821758298085 0.75000000000000 78.960 > 21 84 Se 0.79012320113877 0.93821758298085 0.75000000000000 78.960 > 21 85 Se 0.29012320113877 0.31178241701915 0.25000000000000 78.960 > 22 86 Se 0.79012320113877 0.31178241701915 0.25000000000000 78.960 > 22 87 Se 0.29012320113877 0.81178241701915 0.25000000000000 78.960 > 22 88 Se 0.79012320113877 0.81178241701915 0.25000000000000 78.960 > 22 89 Se 0.20987679886123 0.18821758298085 0.75000000000000 78.960 > 23 90 Se 0.70987679886123 0.18821758298085 0.75000000000000 78.960 > 23 91 Se 0.20987679886123 0.68821758298085 0.75000000000000 78.960 > 23 92 Se 0.70987679886123 0.68821758298085 0.75000000000000 78.960 > 23 93 Se 0.20987679886123 0.06178241701915 0.25000000000000 78.960 > 24 94 Se 0.70987679886123 0.06178241701915 0.25000000000000 78.960 > 24 95 Se 0.20987679886123 0.56178241701915 0.25000000000000 78.960 > 24 96 Se 0.70987679886123 0.56178241701915 0.25000000000000 78.960 > 24 *97 Ho 0.30346560455574 0.12500000000000 0.50000000000000 164.930 > 25 98 Ho 0.80346560455574 0.12500000000000 0.50000000000000 164.930 > 25 99 Ho 0.30346560455574 0.62500000000000 0.50000000000000 164.930 > 25 100 Ho 0.80346560455574 0.62500000000000 0.50000000000000 164.930 > 25 101 Ho 0.30346560455574 0.12500000000000 0.00000000000000 164.930 > 26 102 Ho 0.80346560455574 0.12500000000000 0.00000000000000 164.930 > 26 103 Ho 0.30346560455574 0.62500000000000 0.00000000000000 164.930 > 26 104 Ho 0.80346560455574 0.62500000000000 0.00000000000000 164.930 > 26 105 Ho 0.19653439544426 0.37500000000000 0.50000000000000 164.930 > 27 106 Ho 0.69653439544426 0.37500000000000 0.50000000000000 164.930 > 27 107 Ho 0.19653439544426 0.87500000000000 0.50000000000000 164.930 > 27 108 Ho 0.69653439544426 0.87500000000000 0.50000000000000 164.930 > 27 109 Ho 0.19653439544426 0.37500000000000 0.00000000000000 164.930 > 28 110 Ho 0.69653439544426 0.37500000000000 0.00000000000000 164.930 > 28 111 Ho 0.19653439544426 0.87500000000000 0.00000000000000 164.930 > 28 112 Ho 0.69653439544426 0.87500000000000 0.00000000000000 164.930 > 28 *113 Ho 0.43401311513910 0.26381485852889 0.75000000000000 164.930 > 29 114 Ho 0.93401311513910 0.26381485852889 0.75000000000000 164.930 > 29 115 Ho 0.43401311513910 0.76381485852889 0.75000000000000 164.930 > 29 116 Ho 0.93401311513910 0.76381485852889 0.75000000000000 164.930 > 29 117 Ho 0.43401311513910 0.48618514147111 0.25000000000000 164.930 > 30 118 Ho 0.93401311513910 0.48618514147111 0.25000000000000 164.930 > 30 119 Ho 0.43401311513910 0.98618514147111 0.25000000000000 164.930 > 30 120 Ho 0.93401311513910 0.98618514147111 0.25000000000000 164.930 > 30 121 Ho 0.06598688486090 0.01381485852889 0.75000000000000 164.930 > 31 122 Ho 0.56598688486090 0.01381485852889 0.75000000000000 164.930 > 31 123 Ho 0.06598688486090 0.51381485852889 0.75000000000000 164.930 > 31 124 Ho 0.56598688486090 0.51381485852889 0.75000000000000 164.930 > 31 125 Ho 0.06598688486090 0.23618514147111 0.25000000000000 164.930 > 32 126 Ho 0.56598688486090 0.23618514147111 0.25000000000000 164.930 > 32 127 Ho 0.06598688486090 0.73618514147111 0.25000000000000 164.930 > 32 128 Ho 0.56598688486090 0.73618514147111 0.25000000000000 164.930 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2589825 0.0000000 0.0000000 0.0000000 5.5652391 0.0000000 0.0000000 0.0000000 5.2633088 -------------------------- Born effective charges -------------------------- 1 O -2.1130877 -0.2017410 0.0756602 -0.3234594 -2.5355322 -0.1866067 0.0811304 -0.1277945 -2.3418476 2 O -2.1130877 0.2017410 -0.0756602 0.3234594 -2.5355322 -0.1866067 -0.0811304 -0.1277945 -2.3418476 3 O -2.1130877 0.2017410 0.0756602 0.3234594 -2.5355322 0.1866067 0.0811304 0.1277945 -2.3418476 4 O -2.1130877 -0.2017410 -0.0756602 -0.3234594 -2.5355322 0.1866067 -0.0811304 0.1277945 -2.3418476 5 O -2.1130877 -0.2017410 0.0756602 -0.3234594 -2.5355322 -0.1866067 0.0811304 -0.1277945 -2.3418476 6 O -2.1130877 0.2017410 -0.0756602 0.3234594 -2.5355322 -0.1866067 -0.0811304 -0.1277945 -2.3418476 7 O -2.1130877 0.2017410 0.0756602 0.3234594 -2.5355322 0.1866067 0.0811304 0.1277945 -2.3418476 8 O -2.1130877 -0.2017410 -0.0756602 -0.3234594 -2.5355322 0.1866067 -0.0811304 0.1277945 -2.3418476 9 O -2.6451991 0.3243948 -0.0257906 0.1900396 -1.9453683 0.1424345 0.0619593 0.0615615 -2.3801274 10 O -2.6451991 0.3243948 0.0257906 0.1900396 -1.9453683 -0.1424345 -0.0619593 -0.0615615 -2.3801274 11 O -2.6451991 -0.3243948 -0.0257906 -0.1900396 -1.9453683 -0.1424345 0.0619593 -0.0615615 -2.3801274 12 O -2.6451991 0.3243948 0.0257906 0.1900396 -1.9453683 -0.1424345 -0.0619593 -0.0615615 -2.3801274 13 O -2.6451991 0.3243948 -0.0257906 0.1900396 -1.9453683 0.1424345 0.0619593 0.0615615 -2.3801274 14 O -2.6451991 -0.3243948 0.0257906 -0.1900396 -1.9453683 0.1424345 -0.0619593 0.0615615 -2.3801274 15 O -2.6451991 -0.3243948 -0.0257906 -0.1900396 -1.9453683 -0.1424345 0.0619593 -0.0615615 -2.3801274 16 O -2.6451991 -0.3243948 0.0257906 -0.1900396 -1.9453683 0.1424345 -0.0619593 0.0615615 -2.3801274 17 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 -0.0050052 0.0000000 -0.1788915 3.7101089 18 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 -0.0050052 0.0000000 -0.1788915 3.7101089 19 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 0.0050052 0.0000000 0.1788915 3.7101089 20 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 0.0050052 0.0000000 0.1788915 3.7101089 21 Se -2.2438392 0.3493399 0.0000000 0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 22 Se -2.2438392 -0.3493399 0.0000000 -0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 23 Se -2.2438392 -0.3493399 0.0000000 -0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 24 Se -2.2438392 0.3493399 0.0000000 0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 25 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 -0.0334483 0.0000000 0.1872083 4.2558969 26 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 0.0334483 0.0000000 -0.1872083 4.2558969 27 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 -0.0334483 0.0000000 0.1872083 4.2558969 28 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 0.0334483 0.0000000 -0.1872083 4.2558969 29 Ho 4.2085245 -0.2368435 0.0000000 -0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 30 Ho 4.2085245 0.2368435 0.0000000 0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 31 Ho 4.2085245 0.2368435 0.0000000 0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 32 Ho 4.2085245 -0.2368435 0.0000000 -0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.856 Solver_block: 200 / 480 - Time: 0.689 Solver_block: 300 / 480 - Time: 0.689 Solver_block: 400 / 480 - Time: 0.694 Solver_block: 480 / 480 - Time: 0.569 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.592 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:42:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:42:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947559999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.858155069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.654655819999999 Atomic positions (fractional): 1 O 0.27750365480008 0.43344552795850 0.03313019298053 15.999 2 O 0.27750365480008 0.06655447204150 0.96686980701947 15.999 3 O 0.72249634519992 0.93344552795850 0.46686980701947 15.999 4 O 0.72249634519992 0.56655447204150 0.53313019298053 15.999 5 O 0.72249634519992 0.56655447204150 0.96686980701947 15.999 6 O 0.72249634519992 0.93344552795850 0.03313019298053 15.999 7 O 0.27750365480008 0.06655447204150 0.53313019298053 15.999 8 O 0.27750365480008 0.43344552795850 0.46686980701947 15.999 9 O 0.05799420181911 0.74202261340785 0.12202612326053 15.999 10 O 0.05799420181911 0.74202261340785 0.37797387673947 15.999 11 O 0.94200579818089 0.24202261340785 0.37797387673947 15.999 12 O 0.94200579818089 0.25797738659215 0.62202612326053 15.999 13 O 0.94200579818089 0.25797738659215 0.87797387673947 15.999 14 O 0.94200579818089 0.24202261340785 0.12202612326053 15.999 15 O 0.05799420181911 0.75797738659215 0.62202612326053 15.999 16 O 0.05799420181911 0.75797738659215 0.87797387673947 15.999 17 Si 0.11184400449152 0.25000000000000 0.50000000000000 28.085 18 Si 0.88815599550848 0.75000000000000 0.50000000000000 28.085 19 Si 0.88815599550848 0.75000000000000 0.00000000000000 28.085 20 Si 0.11184400449152 0.25000000000000 0.00000000000000 28.085 21 Se 0.58024640227754 0.87643516596171 0.75000000000000 78.960 22 Se 0.58024640227754 0.62356483403829 0.25000000000000 78.960 23 Se 0.41975359772246 0.37643516596171 0.75000000000000 78.960 24 Se 0.41975359772246 0.12356483403830 0.25000000000000 78.960 25 Ho 0.60693120911149 0.25000000000000 0.50000000000000 164.930 26 Ho 0.60693120911149 0.25000000000000 0.00000000000000 164.930 27 Ho 0.39306879088851 0.75000000000000 0.50000000000000 164.930 28 Ho 0.39306879088851 0.75000000000000 0.00000000000000 164.930 29 Ho 0.86802623027821 0.52762971705779 0.75000000000000 164.930 30 Ho 0.86802623027821 0.97237028294221 0.25000000000000 164.930 31 Ho 0.13197376972179 0.02762971705779 0.75000000000000 164.930 32 Ho 0.13197376972179 0.47237028294221 0.25000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.895119999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.716310139999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.654655819999999 Atomic positions (fractional): 1 O 0.13875182740004 0.21672276397925 0.03313019298053 15.999 > 1 2 O 0.63875182740004 0.21672276397925 0.03313019298053 15.999 > 1 3 O 0.13875182740004 0.71672276397925 0.03313019298053 15.999 > 1 4 O 0.63875182740004 0.71672276397925 0.03313019298053 15.999 > 1 5 O 0.13875182740004 0.03327723602075 0.96686980701947 15.999 > 5 6 O 0.63875182740004 0.03327723602075 0.96686980701947 15.999 > 5 7 O 0.13875182740004 0.53327723602075 0.96686980701947 15.999 > 5 8 O 0.63875182740004 0.53327723602075 0.96686980701947 15.999 > 5 9 O 0.36124817259996 0.46672276397925 0.46686980701947 15.999 > 9 10 O 0.86124817259996 0.46672276397925 0.46686980701947 15.999 > 9 11 O 0.36124817259996 0.96672276397925 0.46686980701947 15.999 > 9 12 O 0.86124817259996 0.96672276397925 0.46686980701947 15.999 > 9 13 O 0.36124817259996 0.28327723602075 0.53313019298053 15.999 > 13 14 O 0.86124817259996 0.28327723602075 0.53313019298053 15.999 > 13 15 O 0.36124817259996 0.78327723602075 0.53313019298053 15.999 > 13 16 O 0.86124817259996 0.78327723602075 0.53313019298053 15.999 > 13 17 O 0.36124817259996 0.28327723602075 0.96686980701947 15.999 > 17 18 O 0.86124817259996 0.28327723602075 0.96686980701947 15.999 > 17 19 O 0.36124817259996 0.78327723602075 0.96686980701947 15.999 > 17 20 O 0.86124817259996 0.78327723602075 0.96686980701947 15.999 > 17 21 O 0.36124817259996 0.46672276397925 0.03313019298053 15.999 > 21 22 O 0.86124817259996 0.46672276397925 0.03313019298053 15.999 > 21 23 O 0.36124817259996 0.96672276397925 0.03313019298053 15.999 > 21 24 O 0.86124817259996 0.96672276397925 0.03313019298053 15.999 > 21 25 O 0.13875182740004 0.03327723602075 0.53313019298053 15.999 > 25 26 O 0.63875182740004 0.03327723602075 0.53313019298053 15.999 > 25 27 O 0.13875182740004 0.53327723602075 0.53313019298053 15.999 > 25 28 O 0.63875182740004 0.53327723602075 0.53313019298053 15.999 > 25 29 O 0.13875182740004 0.21672276397925 0.46686980701947 15.999 > 29 30 O 0.63875182740004 0.21672276397925 0.46686980701947 15.999 > 29 31 O 0.13875182740004 0.71672276397925 0.46686980701947 15.999 > 29 32 O 0.63875182740004 0.71672276397925 0.46686980701947 15.999 > 29 33 O 0.02899710090955 0.37101130670393 0.12202612326053 15.999 > 33 34 O 0.52899710090955 0.37101130670393 0.12202612326053 15.999 > 33 35 O 0.02899710090955 0.87101130670393 0.12202612326053 15.999 > 33 36 O 0.52899710090955 0.87101130670393 0.12202612326053 15.999 > 33 37 O 0.02899710090955 0.37101130670393 0.37797387673947 15.999 > 37 38 O 0.52899710090955 0.37101130670393 0.37797387673947 15.999 > 37 39 O 0.02899710090955 0.87101130670393 0.37797387673947 15.999 > 37 40 O 0.52899710090955 0.87101130670393 0.37797387673947 15.999 > 37 41 O 0.47100289909045 0.12101130670393 0.37797387673947 15.999 > 41 42 O 0.97100289909045 0.12101130670393 0.37797387673947 15.999 > 41 43 O 0.47100289909045 0.62101130670393 0.37797387673947 15.999 > 41 44 O 0.97100289909045 0.62101130670393 0.37797387673947 15.999 > 41 45 O 0.47100289909045 0.12898869329607 0.62202612326053 15.999 > 45 46 O 0.97100289909045 0.12898869329607 0.62202612326053 15.999 > 45 47 O 0.47100289909045 0.62898869329607 0.62202612326053 15.999 > 45 48 O 0.97100289909045 0.62898869329607 0.62202612326053 15.999 > 45 49 O 0.47100289909045 0.12898869329607 0.87797387673947 15.999 > 49 50 O 0.97100289909045 0.12898869329607 0.87797387673947 15.999 > 49 51 O 0.47100289909045 0.62898869329607 0.87797387673947 15.999 > 49 52 O 0.97100289909045 0.62898869329607 0.87797387673947 15.999 > 49 53 O 0.47100289909045 0.12101130670393 0.12202612326053 15.999 > 53 54 O 0.97100289909045 0.12101130670393 0.12202612326053 15.999 > 53 55 O 0.47100289909045 0.62101130670393 0.12202612326053 15.999 > 53 56 O 0.97100289909045 0.62101130670393 0.12202612326053 15.999 > 53 57 O 0.02899710090955 0.37898869329607 0.62202612326053 15.999 > 57 58 O 0.52899710090955 0.37898869329607 0.62202612326053 15.999 > 57 59 O 0.02899710090955 0.87898869329607 0.62202612326053 15.999 > 57 60 O 0.52899710090955 0.87898869329607 0.62202612326053 15.999 > 57 61 O 0.02899710090955 0.37898869329607 0.87797387673947 15.999 > 61 62 O 0.52899710090955 0.37898869329607 0.87797387673947 15.999 > 61 63 O 0.02899710090955 0.87898869329607 0.87797387673947 15.999 > 61 64 O 0.52899710090955 0.87898869329607 0.87797387673947 15.999 > 61 65 Si 0.05592200224576 0.12500000000000 0.50000000000000 28.085 > 65 66 Si 0.55592200224576 0.12500000000000 0.50000000000000 28.085 > 65 67 Si 0.05592200224576 0.62500000000000 0.50000000000000 28.085 > 65 68 Si 0.55592200224576 0.62500000000000 0.50000000000000 28.085 > 65 69 Si 0.44407799775424 0.37500000000000 0.50000000000000 28.085 > 69 70 Si 0.94407799775424 0.37500000000000 0.50000000000000 28.085 > 69 71 Si 0.44407799775424 0.87500000000000 0.50000000000000 28.085 > 69 72 Si 0.94407799775424 0.87500000000000 0.50000000000000 28.085 > 69 73 Si 0.44407799775424 0.37500000000000 0.00000000000000 28.085 > 73 74 Si 0.94407799775424 0.37500000000000 0.00000000000000 28.085 > 73 75 Si 0.44407799775424 0.87500000000000 0.00000000000000 28.085 > 73 76 Si 0.94407799775424 0.87500000000000 0.00000000000000 28.085 > 73 77 Si 0.05592200224576 0.12500000000000 0.00000000000000 28.085 > 77 78 Si 0.55592200224576 0.12500000000000 0.00000000000000 28.085 > 77 79 Si 0.05592200224576 0.62500000000000 0.00000000000000 28.085 > 77 80 Si 0.55592200224576 0.62500000000000 0.00000000000000 28.085 > 77 81 Se 0.29012320113877 0.43821758298085 0.75000000000000 78.960 > 81 82 Se 0.79012320113877 0.43821758298085 0.75000000000000 78.960 > 81 83 Se 0.29012320113877 0.93821758298085 0.75000000000000 78.960 > 81 84 Se 0.79012320113877 0.93821758298085 0.75000000000000 78.960 > 81 85 Se 0.29012320113877 0.31178241701915 0.25000000000000 78.960 > 85 86 Se 0.79012320113877 0.31178241701915 0.25000000000000 78.960 > 85 87 Se 0.29012320113877 0.81178241701915 0.25000000000000 78.960 > 85 88 Se 0.79012320113877 0.81178241701915 0.25000000000000 78.960 > 85 89 Se 0.20987679886123 0.18821758298085 0.75000000000000 78.960 > 89 90 Se 0.70987679886123 0.18821758298085 0.75000000000000 78.960 > 89 91 Se 0.20987679886123 0.68821758298085 0.75000000000000 78.960 > 89 92 Se 0.70987679886123 0.68821758298085 0.75000000000000 78.960 > 89 93 Se 0.20987679886123 0.06178241701915 0.25000000000000 78.960 > 93 94 Se 0.70987679886123 0.06178241701915 0.25000000000000 78.960 > 93 95 Se 0.20987679886123 0.56178241701915 0.25000000000000 78.960 > 93 96 Se 0.70987679886123 0.56178241701915 0.25000000000000 78.960 > 93 97 Ho 0.30346560455574 0.12500000000000 0.50000000000000 164.930 > 97 98 Ho 0.80346560455574 0.12500000000000 0.50000000000000 164.930 > 97 99 Ho 0.30346560455574 0.62500000000000 0.50000000000000 164.930 > 97 100 Ho 0.80346560455574 0.62500000000000 0.50000000000000 164.930 > 97 101 Ho 0.30346560455574 0.12500000000000 0.00000000000000 164.930 > 101 102 Ho 0.80346560455574 0.12500000000000 0.00000000000000 164.930 > 101 103 Ho 0.30346560455574 0.62500000000000 0.00000000000000 164.930 > 101 104 Ho 0.80346560455574 0.62500000000000 0.00000000000000 164.930 > 101 105 Ho 0.19653439544426 0.37500000000000 0.50000000000000 164.930 > 105 106 Ho 0.69653439544426 0.37500000000000 0.50000000000000 164.930 > 105 107 Ho 0.19653439544426 0.87500000000000 0.50000000000000 164.930 > 105 108 Ho 0.69653439544426 0.87500000000000 0.50000000000000 164.930 > 105 109 Ho 0.19653439544426 0.37500000000000 0.00000000000000 164.930 > 109 110 Ho 0.69653439544426 0.37500000000000 0.00000000000000 164.930 > 109 111 Ho 0.19653439544426 0.87500000000000 0.00000000000000 164.930 > 109 112 Ho 0.69653439544426 0.87500000000000 0.00000000000000 164.930 > 109 113 Ho 0.43401311513910 0.26381485852889 0.75000000000000 164.930 > 113 114 Ho 0.93401311513910 0.26381485852889 0.75000000000000 164.930 > 113 115 Ho 0.43401311513910 0.76381485852889 0.75000000000000 164.930 > 113 116 Ho 0.93401311513910 0.76381485852889 0.75000000000000 164.930 > 113 117 Ho 0.43401311513910 0.48618514147111 0.25000000000000 164.930 > 117 118 Ho 0.93401311513910 0.48618514147111 0.25000000000000 164.930 > 117 119 Ho 0.43401311513910 0.98618514147111 0.25000000000000 164.930 > 117 120 Ho 0.93401311513910 0.98618514147111 0.25000000000000 164.930 > 117 121 Ho 0.06598688486090 0.01381485852889 0.75000000000000 164.930 > 121 122 Ho 0.56598688486090 0.01381485852889 0.75000000000000 164.930 > 121 123 Ho 0.06598688486090 0.51381485852889 0.75000000000000 164.930 > 121 124 Ho 0.56598688486090 0.51381485852889 0.75000000000000 164.930 > 121 125 Ho 0.06598688486090 0.23618514147111 0.25000000000000 164.930 > 125 126 Ho 0.56598688486090 0.23618514147111 0.25000000000000 164.930 > 125 127 Ho 0.06598688486090 0.73618514147111 0.25000000000000 164.930 > 125 128 Ho 0.56598688486090 0.73618514147111 0.25000000000000 164.930 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2589825 0.0000000 0.0000000 0.0000000 5.5652391 0.0000000 0.0000000 0.0000000 5.2633088 -------------------------- Born effective charges -------------------------- 1 O -2.1130877 -0.2017410 0.0756602 -0.3234594 -2.5355322 -0.1866067 0.0811304 -0.1277945 -2.3418476 2 O -2.1130877 0.2017410 -0.0756602 0.3234594 -2.5355322 -0.1866067 -0.0811304 -0.1277945 -2.3418476 3 O -2.1130877 0.2017410 0.0756602 0.3234594 -2.5355322 0.1866067 0.0811304 0.1277945 -2.3418476 4 O -2.1130877 -0.2017410 -0.0756602 -0.3234594 -2.5355322 0.1866067 -0.0811304 0.1277945 -2.3418476 5 O -2.1130877 -0.2017410 0.0756602 -0.3234594 -2.5355322 -0.1866067 0.0811304 -0.1277945 -2.3418476 6 O -2.1130877 0.2017410 -0.0756602 0.3234594 -2.5355322 -0.1866067 -0.0811304 -0.1277945 -2.3418476 7 O -2.1130877 0.2017410 0.0756602 0.3234594 -2.5355322 0.1866067 0.0811304 0.1277945 -2.3418476 8 O -2.1130877 -0.2017410 -0.0756602 -0.3234594 -2.5355322 0.1866067 -0.0811304 0.1277945 -2.3418476 9 O -2.6451991 0.3243948 -0.0257906 0.1900396 -1.9453683 0.1424345 0.0619593 0.0615615 -2.3801274 10 O -2.6451991 0.3243948 0.0257906 0.1900396 -1.9453683 -0.1424345 -0.0619593 -0.0615615 -2.3801274 11 O -2.6451991 -0.3243948 -0.0257906 -0.1900396 -1.9453683 -0.1424345 0.0619593 -0.0615615 -2.3801274 12 O -2.6451991 0.3243948 0.0257906 0.1900396 -1.9453683 -0.1424345 -0.0619593 -0.0615615 -2.3801274 13 O -2.6451991 0.3243948 -0.0257906 0.1900396 -1.9453683 0.1424345 0.0619593 0.0615615 -2.3801274 14 O -2.6451991 -0.3243948 0.0257906 -0.1900396 -1.9453683 0.1424345 -0.0619593 0.0615615 -2.3801274 15 O -2.6451991 -0.3243948 -0.0257906 -0.1900396 -1.9453683 -0.1424345 0.0619593 -0.0615615 -2.3801274 16 O -2.6451991 -0.3243948 0.0257906 -0.1900396 -1.9453683 0.1424345 -0.0619593 0.0615615 -2.3801274 17 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 -0.0050052 0.0000000 -0.1788915 3.7101089 18 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 -0.0050052 0.0000000 -0.1788915 3.7101089 19 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 0.0050052 0.0000000 0.1788915 3.7101089 20 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 0.0050052 0.0000000 0.1788915 3.7101089 21 Se -2.2438392 0.3493399 0.0000000 0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 22 Se -2.2438392 -0.3493399 0.0000000 -0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 23 Se -2.2438392 -0.3493399 0.0000000 -0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 24 Se -2.2438392 0.3493399 0.0000000 0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 25 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 -0.0334483 0.0000000 0.1872083 4.2558969 26 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 0.0334483 0.0000000 -0.1872083 4.2558969 27 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 -0.0334483 0.0000000 0.1872083 4.2558969 28 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 0.0334483 0.0000000 -0.1872083 4.2558969 29 Ho 4.2085245 -0.2368435 0.0000000 -0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 30 Ho 4.2085245 0.2368435 0.0000000 0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 31 Ho 4.2085245 0.2368435 0.0000000 0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 32 Ho 4.2085245 -0.2368435 0.0000000 -0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (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 04:43:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:43:02]------------------------- 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: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947559999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.858155069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.654655819999999 Atomic positions (fractional): 1 O 0.27750365480008 0.43344552795850 0.03313019298053 15.999 2 O 0.27750365480008 0.06655447204150 0.96686980701947 15.999 3 O 0.72249634519992 0.93344552795850 0.46686980701947 15.999 4 O 0.72249634519992 0.56655447204150 0.53313019298053 15.999 5 O 0.72249634519992 0.56655447204150 0.96686980701947 15.999 6 O 0.72249634519992 0.93344552795850 0.03313019298053 15.999 7 O 0.27750365480008 0.06655447204150 0.53313019298053 15.999 8 O 0.27750365480008 0.43344552795850 0.46686980701947 15.999 9 O 0.05799420181911 0.74202261340785 0.12202612326053 15.999 10 O 0.05799420181911 0.74202261340785 0.37797387673947 15.999 11 O 0.94200579818089 0.24202261340785 0.37797387673947 15.999 12 O 0.94200579818089 0.25797738659215 0.62202612326053 15.999 13 O 0.94200579818089 0.25797738659215 0.87797387673947 15.999 14 O 0.94200579818089 0.24202261340785 0.12202612326053 15.999 15 O 0.05799420181911 0.75797738659215 0.62202612326053 15.999 16 O 0.05799420181911 0.75797738659215 0.87797387673947 15.999 17 Si 0.11184400449152 0.25000000000000 0.50000000000000 28.085 18 Si 0.88815599550848 0.75000000000000 0.50000000000000 28.085 19 Si 0.88815599550848 0.75000000000000 0.00000000000000 28.085 20 Si 0.11184400449152 0.25000000000000 0.00000000000000 28.085 21 Se 0.58024640227754 0.87643516596171 0.75000000000000 78.960 22 Se 0.58024640227754 0.62356483403829 0.25000000000000 78.960 23 Se 0.41975359772246 0.37643516596171 0.75000000000000 78.960 24 Se 0.41975359772246 0.12356483403830 0.25000000000000 78.960 25 Ho 0.60693120911149 0.25000000000000 0.50000000000000 164.930 26 Ho 0.60693120911149 0.25000000000000 0.00000000000000 164.930 27 Ho 0.39306879088851 0.75000000000000 0.50000000000000 164.930 28 Ho 0.39306879088851 0.75000000000000 0.00000000000000 164.930 29 Ho 0.86802623027821 0.52762971705779 0.75000000000000 164.930 30 Ho 0.86802623027821 0.97237028294221 0.25000000000000 164.930 31 Ho 0.13197376972179 0.02762971705779 0.75000000000000 164.930 32 Ho 0.13197376972179 0.47237028294221 0.25000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.895119999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.716310139999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.654655819999999 Atomic positions (fractional): 1 O 0.13875182740004 0.21672276397925 0.03313019298053 15.999 > 1 2 O 0.63875182740004 0.21672276397925 0.03313019298053 15.999 > 1 3 O 0.13875182740004 0.71672276397925 0.03313019298053 15.999 > 1 4 O 0.63875182740004 0.71672276397925 0.03313019298053 15.999 > 1 5 O 0.13875182740004 0.03327723602075 0.96686980701947 15.999 > 5 6 O 0.63875182740004 0.03327723602075 0.96686980701947 15.999 > 5 7 O 0.13875182740004 0.53327723602075 0.96686980701947 15.999 > 5 8 O 0.63875182740004 0.53327723602075 0.96686980701947 15.999 > 5 9 O 0.36124817259996 0.46672276397925 0.46686980701947 15.999 > 9 10 O 0.86124817259996 0.46672276397925 0.46686980701947 15.999 > 9 11 O 0.36124817259996 0.96672276397925 0.46686980701947 15.999 > 9 12 O 0.86124817259996 0.96672276397925 0.46686980701947 15.999 > 9 13 O 0.36124817259996 0.28327723602075 0.53313019298053 15.999 > 13 14 O 0.86124817259996 0.28327723602075 0.53313019298053 15.999 > 13 15 O 0.36124817259996 0.78327723602075 0.53313019298053 15.999 > 13 16 O 0.86124817259996 0.78327723602075 0.53313019298053 15.999 > 13 17 O 0.36124817259996 0.28327723602075 0.96686980701947 15.999 > 17 18 O 0.86124817259996 0.28327723602075 0.96686980701947 15.999 > 17 19 O 0.36124817259996 0.78327723602075 0.96686980701947 15.999 > 17 20 O 0.86124817259996 0.78327723602075 0.96686980701947 15.999 > 17 21 O 0.36124817259996 0.46672276397925 0.03313019298053 15.999 > 21 22 O 0.86124817259996 0.46672276397925 0.03313019298053 15.999 > 21 23 O 0.36124817259996 0.96672276397925 0.03313019298053 15.999 > 21 24 O 0.86124817259996 0.96672276397925 0.03313019298053 15.999 > 21 25 O 0.13875182740004 0.03327723602075 0.53313019298053 15.999 > 25 26 O 0.63875182740004 0.03327723602075 0.53313019298053 15.999 > 25 27 O 0.13875182740004 0.53327723602075 0.53313019298053 15.999 > 25 28 O 0.63875182740004 0.53327723602075 0.53313019298053 15.999 > 25 29 O 0.13875182740004 0.21672276397925 0.46686980701947 15.999 > 29 30 O 0.63875182740004 0.21672276397925 0.46686980701947 15.999 > 29 31 O 0.13875182740004 0.71672276397925 0.46686980701947 15.999 > 29 32 O 0.63875182740004 0.71672276397925 0.46686980701947 15.999 > 29 33 O 0.02899710090955 0.37101130670393 0.12202612326053 15.999 > 33 34 O 0.52899710090955 0.37101130670393 0.12202612326053 15.999 > 33 35 O 0.02899710090955 0.87101130670393 0.12202612326053 15.999 > 33 36 O 0.52899710090955 0.87101130670393 0.12202612326053 15.999 > 33 37 O 0.02899710090955 0.37101130670393 0.37797387673947 15.999 > 37 38 O 0.52899710090955 0.37101130670393 0.37797387673947 15.999 > 37 39 O 0.02899710090955 0.87101130670393 0.37797387673947 15.999 > 37 40 O 0.52899710090955 0.87101130670393 0.37797387673947 15.999 > 37 41 O 0.47100289909045 0.12101130670393 0.37797387673947 15.999 > 41 42 O 0.97100289909045 0.12101130670393 0.37797387673947 15.999 > 41 43 O 0.47100289909045 0.62101130670393 0.37797387673947 15.999 > 41 44 O 0.97100289909045 0.62101130670393 0.37797387673947 15.999 > 41 45 O 0.47100289909045 0.12898869329607 0.62202612326053 15.999 > 45 46 O 0.97100289909045 0.12898869329607 0.62202612326053 15.999 > 45 47 O 0.47100289909045 0.62898869329607 0.62202612326053 15.999 > 45 48 O 0.97100289909045 0.62898869329607 0.62202612326053 15.999 > 45 49 O 0.47100289909045 0.12898869329607 0.87797387673947 15.999 > 49 50 O 0.97100289909045 0.12898869329607 0.87797387673947 15.999 > 49 51 O 0.47100289909045 0.62898869329607 0.87797387673947 15.999 > 49 52 O 0.97100289909045 0.62898869329607 0.87797387673947 15.999 > 49 53 O 0.47100289909045 0.12101130670393 0.12202612326053 15.999 > 53 54 O 0.97100289909045 0.12101130670393 0.12202612326053 15.999 > 53 55 O 0.47100289909045 0.62101130670393 0.12202612326053 15.999 > 53 56 O 0.97100289909045 0.62101130670393 0.12202612326053 15.999 > 53 57 O 0.02899710090955 0.37898869329607 0.62202612326053 15.999 > 57 58 O 0.52899710090955 0.37898869329607 0.62202612326053 15.999 > 57 59 O 0.02899710090955 0.87898869329607 0.62202612326053 15.999 > 57 60 O 0.52899710090955 0.87898869329607 0.62202612326053 15.999 > 57 61 O 0.02899710090955 0.37898869329607 0.87797387673947 15.999 > 61 62 O 0.52899710090955 0.37898869329607 0.87797387673947 15.999 > 61 63 O 0.02899710090955 0.87898869329607 0.87797387673947 15.999 > 61 64 O 0.52899710090955 0.87898869329607 0.87797387673947 15.999 > 61 65 Si 0.05592200224576 0.12500000000000 0.50000000000000 28.085 > 65 66 Si 0.55592200224576 0.12500000000000 0.50000000000000 28.085 > 65 67 Si 0.05592200224576 0.62500000000000 0.50000000000000 28.085 > 65 68 Si 0.55592200224576 0.62500000000000 0.50000000000000 28.085 > 65 69 Si 0.44407799775424 0.37500000000000 0.50000000000000 28.085 > 69 70 Si 0.94407799775424 0.37500000000000 0.50000000000000 28.085 > 69 71 Si 0.44407799775424 0.87500000000000 0.50000000000000 28.085 > 69 72 Si 0.94407799775424 0.87500000000000 0.50000000000000 28.085 > 69 73 Si 0.44407799775424 0.37500000000000 0.00000000000000 28.085 > 73 74 Si 0.94407799775424 0.37500000000000 0.00000000000000 28.085 > 73 75 Si 0.44407799775424 0.87500000000000 0.00000000000000 28.085 > 73 76 Si 0.94407799775424 0.87500000000000 0.00000000000000 28.085 > 73 77 Si 0.05592200224576 0.12500000000000 0.00000000000000 28.085 > 77 78 Si 0.55592200224576 0.12500000000000 0.00000000000000 28.085 > 77 79 Si 0.05592200224576 0.62500000000000 0.00000000000000 28.085 > 77 80 Si 0.55592200224576 0.62500000000000 0.00000000000000 28.085 > 77 81 Se 0.29012320113877 0.43821758298085 0.75000000000000 78.960 > 81 82 Se 0.79012320113877 0.43821758298085 0.75000000000000 78.960 > 81 83 Se 0.29012320113877 0.93821758298085 0.75000000000000 78.960 > 81 84 Se 0.79012320113877 0.93821758298085 0.75000000000000 78.960 > 81 85 Se 0.29012320113877 0.31178241701915 0.25000000000000 78.960 > 85 86 Se 0.79012320113877 0.31178241701915 0.25000000000000 78.960 > 85 87 Se 0.29012320113877 0.81178241701915 0.25000000000000 78.960 > 85 88 Se 0.79012320113877 0.81178241701915 0.25000000000000 78.960 > 85 89 Se 0.20987679886123 0.18821758298085 0.75000000000000 78.960 > 89 90 Se 0.70987679886123 0.18821758298085 0.75000000000000 78.960 > 89 91 Se 0.20987679886123 0.68821758298085 0.75000000000000 78.960 > 89 92 Se 0.70987679886123 0.68821758298085 0.75000000000000 78.960 > 89 93 Se 0.20987679886123 0.06178241701915 0.25000000000000 78.960 > 93 94 Se 0.70987679886123 0.06178241701915 0.25000000000000 78.960 > 93 95 Se 0.20987679886123 0.56178241701915 0.25000000000000 78.960 > 93 96 Se 0.70987679886123 0.56178241701915 0.25000000000000 78.960 > 93 97 Ho 0.30346560455574 0.12500000000000 0.50000000000000 164.930 > 97 98 Ho 0.80346560455574 0.12500000000000 0.50000000000000 164.930 > 97 99 Ho 0.30346560455574 0.62500000000000 0.50000000000000 164.930 > 97 100 Ho 0.80346560455574 0.62500000000000 0.50000000000000 164.930 > 97 101 Ho 0.30346560455574 0.12500000000000 0.00000000000000 164.930 > 101 102 Ho 0.80346560455574 0.12500000000000 0.00000000000000 164.930 > 101 103 Ho 0.30346560455574 0.62500000000000 0.00000000000000 164.930 > 101 104 Ho 0.80346560455574 0.62500000000000 0.00000000000000 164.930 > 101 105 Ho 0.19653439544426 0.37500000000000 0.50000000000000 164.930 > 105 106 Ho 0.69653439544426 0.37500000000000 0.50000000000000 164.930 > 105 107 Ho 0.19653439544426 0.87500000000000 0.50000000000000 164.930 > 105 108 Ho 0.69653439544426 0.87500000000000 0.50000000000000 164.930 > 105 109 Ho 0.19653439544426 0.37500000000000 0.00000000000000 164.930 > 109 110 Ho 0.69653439544426 0.37500000000000 0.00000000000000 164.930 > 109 111 Ho 0.19653439544426 0.87500000000000 0.00000000000000 164.930 > 109 112 Ho 0.69653439544426 0.87500000000000 0.00000000000000 164.930 > 109 113 Ho 0.43401311513910 0.26381485852889 0.75000000000000 164.930 > 113 114 Ho 0.93401311513910 0.26381485852889 0.75000000000000 164.930 > 113 115 Ho 0.43401311513910 0.76381485852889 0.75000000000000 164.930 > 113 116 Ho 0.93401311513910 0.76381485852889 0.75000000000000 164.930 > 113 117 Ho 0.43401311513910 0.48618514147111 0.25000000000000 164.930 > 117 118 Ho 0.93401311513910 0.48618514147111 0.25000000000000 164.930 > 117 119 Ho 0.43401311513910 0.98618514147111 0.25000000000000 164.930 > 117 120 Ho 0.93401311513910 0.98618514147111 0.25000000000000 164.930 > 117 121 Ho 0.06598688486090 0.01381485852889 0.75000000000000 164.930 > 121 122 Ho 0.56598688486090 0.01381485852889 0.75000000000000 164.930 > 121 123 Ho 0.06598688486090 0.51381485852889 0.75000000000000 164.930 > 121 124 Ho 0.56598688486090 0.51381485852889 0.75000000000000 164.930 > 121 125 Ho 0.06598688486090 0.23618514147111 0.25000000000000 164.930 > 125 126 Ho 0.56598688486090 0.23618514147111 0.25000000000000 164.930 > 125 127 Ho 0.06598688486090 0.73618514147111 0.25000000000000 164.930 > 125 128 Ho 0.56598688486090 0.73618514147111 0.25000000000000 164.930 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2589825 0.0000000 0.0000000 0.0000000 5.5652391 0.0000000 0.0000000 0.0000000 5.2633088 -------------------------- Born effective charges -------------------------- 1 O -2.1130877 -0.2017410 0.0756602 -0.3234594 -2.5355322 -0.1866067 0.0811304 -0.1277945 -2.3418476 2 O -2.1130877 0.2017410 -0.0756602 0.3234594 -2.5355322 -0.1866067 -0.0811304 -0.1277945 -2.3418476 3 O -2.1130877 0.2017410 0.0756602 0.3234594 -2.5355322 0.1866067 0.0811304 0.1277945 -2.3418476 4 O -2.1130877 -0.2017410 -0.0756602 -0.3234594 -2.5355322 0.1866067 -0.0811304 0.1277945 -2.3418476 5 O -2.1130877 -0.2017410 0.0756602 -0.3234594 -2.5355322 -0.1866067 0.0811304 -0.1277945 -2.3418476 6 O -2.1130877 0.2017410 -0.0756602 0.3234594 -2.5355322 -0.1866067 -0.0811304 -0.1277945 -2.3418476 7 O -2.1130877 0.2017410 0.0756602 0.3234594 -2.5355322 0.1866067 0.0811304 0.1277945 -2.3418476 8 O -2.1130877 -0.2017410 -0.0756602 -0.3234594 -2.5355322 0.1866067 -0.0811304 0.1277945 -2.3418476 9 O -2.6451991 0.3243948 -0.0257906 0.1900396 -1.9453683 0.1424345 0.0619593 0.0615615 -2.3801274 10 O -2.6451991 0.3243948 0.0257906 0.1900396 -1.9453683 -0.1424345 -0.0619593 -0.0615615 -2.3801274 11 O -2.6451991 -0.3243948 -0.0257906 -0.1900396 -1.9453683 -0.1424345 0.0619593 -0.0615615 -2.3801274 12 O -2.6451991 0.3243948 0.0257906 0.1900396 -1.9453683 -0.1424345 -0.0619593 -0.0615615 -2.3801274 13 O -2.6451991 0.3243948 -0.0257906 0.1900396 -1.9453683 0.1424345 0.0619593 0.0615615 -2.3801274 14 O -2.6451991 -0.3243948 0.0257906 -0.1900396 -1.9453683 0.1424345 -0.0619593 0.0615615 -2.3801274 15 O -2.6451991 -0.3243948 -0.0257906 -0.1900396 -1.9453683 -0.1424345 0.0619593 -0.0615615 -2.3801274 16 O -2.6451991 -0.3243948 0.0257906 -0.1900396 -1.9453683 0.1424345 -0.0619593 0.0615615 -2.3801274 17 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 -0.0050052 0.0000000 -0.1788915 3.7101089 18 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 -0.0050052 0.0000000 -0.1788915 3.7101089 19 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 0.0050052 0.0000000 0.1788915 3.7101089 20 Si 3.7719052 -0.0000000 0.0000000 0.0000000 2.7205597 0.0050052 0.0000000 0.1788915 3.7101089 21 Se -2.2438392 0.3493399 0.0000000 0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 22 Se -2.2438392 -0.3493399 0.0000000 -0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 23 Se -2.2438392 -0.3493399 0.0000000 -0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 24 Se -2.2438392 0.3493399 0.0000000 0.3923214 -2.1030814 0.0000000 0.0000000 0.0000000 -2.0792298 25 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 -0.0334483 0.0000000 0.1872083 4.2558969 26 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 0.0334483 0.0000000 -0.1872083 4.2558969 27 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 -0.0334483 0.0000000 0.1872083 4.2558969 28 Ho 3.7799830 -0.0000000 0.0000000 0.0000000 4.2224583 0.0334483 0.0000000 -0.1872083 4.2558969 29 Ho 4.2085245 -0.2368435 0.0000000 -0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 30 Ho 4.2085245 0.2368435 0.0000000 0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 31 Ho 4.2085245 0.2368435 0.0000000 0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 32 Ho 4.2085245 -0.2368435 0.0000000 -0.1169444 4.1218645 0.0000000 0.0000000 0.0000000 3.5571739 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 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: 0.55, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 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 1.322 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.149 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 0.000) 0.000 8.991 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.986 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 10.598 ( 0.000 0.000 0.000) 0.000 10.643 ( 0.000 0.000 0.000) 0.000 11.034 ( 0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.398 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.670 ( 0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 12.760 ( 0.000 0.000 0.000) 0.000 13.074 ( 0.000 0.000 0.000) 0.000 13.078 ( 0.000 0.000 0.000) 0.000 13.701 ( 0.000 0.000 0.000) 0.000 14.876 ( 0.000 0.000 0.000) 0.000 15.058 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 15.400 ( 0.000 0.000 0.000) 0.000 15.777 ( 0.000 0.000 0.000) 0.000 15.924 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 16.417 ( 0.000 0.000 0.000) 0.000 16.508 ( 0.000 0.000 0.000) 0.000 17.202 ( 0.000 0.000 0.000) 0.000 24.483 ( 0.000 0.000 0.000) 0.000 24.594 ( 0.000 0.000 0.000) 0.000 24.730 ( 0.000 0.000 0.000) 0.000 24.936 ( 0.000 0.000 0.000) 0.000 24.964 ( 0.000 0.000 0.000) 0.000 25.061 ( 0.000 0.000 0.000) 0.000 25.489 ( 0.000 0.000 0.000) 0.000 25.825 ( 0.000 0.000 0.000) 0.000 27.481 ( 0.000 0.000 0.000) 0.000 27.533 ( 0.000 0.000 0.000) 0.000 27.666 ( 0.000 0.000 0.000) 0.000 27.749 ( 0.000 0.000 0.000) 0.000 27.840 ( 0.000 0.000 0.000) 0.000 27.908 ( 0.000 0.000 0.000) 0.000 27.930 ( 0.000 0.000 0.000) 0.000 28.820 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 24.715 0.000 0.000) 24.715 0.619 ( 28.872 0.000 0.000) 28.872 1.120 ( 48.682 0.000 0.000) 48.682 1.334 ( 1.074 0.000 0.000) 1.074 1.669 ( 3.906 0.000 0.000) 3.906 1.769 ( -8.672 0.000 0.000) 8.672 1.957 ( 1.463 0.000 0.000) 1.463 2.122 ( -3.267 0.000 0.000) 3.267 2.136 ( 3.149 0.000 0.000) 3.149 2.786 ( 18.809 0.000 0.000) 18.809 2.811 ( -8.792 0.000 0.000) 8.792 2.893 ( 1.015 0.000 0.000) 1.015 3.159 ( -7.594 0.000 0.000) 7.594 3.194 ( 4.311 0.000 0.000) 4.311 3.198 ( 0.709 0.000 0.000) 0.709 3.318 ( 8.773 0.000 0.000) 8.773 3.451 ( 2.687 0.000 0.000) 2.687 3.466 ( 2.048 0.000 0.000) 2.048 3.616 ( 12.732 0.000 0.000) 12.732 3.655 ( -3.041 0.000 0.000) 3.041 3.747 ( -0.540 0.000 0.000) 0.540 3.786 ( -0.592 0.000 0.000) 0.592 3.894 ( 4.090 0.000 0.000) 4.090 3.906 ( -0.027 0.000 0.000) 0.027 4.048 ( -0.812 0.000 0.000) 0.812 4.115 ( 7.373 0.000 0.000) 7.373 4.156 ( 11.536 0.000 0.000) 11.536 4.335 ( 13.498 0.000 0.000) 13.498 4.445 ( -1.329 0.000 0.000) 1.329 4.675 ( 0.204 0.000 0.000) 0.204 4.826 ( 1.097 0.000 0.000) 1.097 4.889 ( 0.937 0.000 0.000) 0.937 5.027 ( 1.810 0.000 0.000) 1.810 5.080 ( 1.948 0.000 0.000) 1.948 5.179 ( -8.622 0.000 0.000) 8.622 5.642 ( 4.417 0.000 0.000) 4.417 6.730 ( -4.715 0.000 0.000) 4.715 6.944 ( -0.345 0.000 0.000) 0.345 7.110 ( 1.672 0.000 0.000) 1.672 7.131 ( -1.439 0.000 0.000) 1.439 7.457 ( -2.598 0.000 0.000) 2.598 7.468 ( -0.316 0.000 0.000) 0.316 7.676 ( 0.767 0.000 0.000) 0.767 7.787 ( 0.723 0.000 0.000) 0.723 7.825 ( -0.045 0.000 0.000) 0.045 7.909 ( 4.393 0.000 0.000) 4.393 8.033 ( -3.381 0.000 0.000) 3.381 8.079 ( 0.642 0.000 0.000) 0.642 8.380 ( -5.906 0.000 0.000) 5.906 8.421 ( 5.015 0.000 0.000) 5.015 8.929 ( 5.668 0.000 0.000) 5.668 8.938 ( -4.293 0.000 0.000) 4.293 9.508 ( -2.858 0.000 0.000) 2.858 9.575 ( -2.336 0.000 0.000) 2.336 9.754 ( 5.015 0.000 0.000) 5.015 9.993 ( 0.596 0.000 0.000) 0.596 10.413 ( -10.393 0.000 0.000) 10.393 10.542 ( -4.297 0.000 0.000) 4.297 10.612 ( -0.064 0.000 0.000) 0.064 10.638 ( 0.215 0.000 0.000) 0.215 11.070 ( -6.797 0.000 0.000) 6.797 11.085 ( 4.680 0.000 0.000) 4.680 11.462 ( 4.884 0.000 0.000) 4.884 11.517 ( -8.159 0.000 0.000) 8.159 11.690 ( 1.840 0.000 0.000) 1.840 12.489 ( -8.556 0.000 0.000) 8.556 12.731 ( -2.663 0.000 0.000) 2.663 12.971 ( -9.213 0.000 0.000) 9.213 13.207 ( 9.593 0.000 0.000) 9.593 13.657 ( -4.203 0.000 0.000) 4.203 14.803 ( -7.793 0.000 0.000) 7.793 15.073 ( 3.771 0.000 0.000) 3.771 15.173 ( 0.356 0.000 0.000) 0.356 15.561 ( -12.469 0.000 0.000) 12.469 15.856 ( -6.184 0.000 0.000) 6.184 16.453 ( 2.014 0.000 0.000) 2.014 16.482 ( 12.954 0.000 0.000) 12.954 16.484 ( -2.175 0.000 0.000) 2.175 16.715 ( 16.591 0.000 0.000) 16.591 17.199 ( -0.319 0.000 0.000) 0.319 24.484 ( 0.193 0.000 0.000) 0.193 24.607 ( 1.210 0.000 0.000) 1.210 24.725 ( -0.443 0.000 0.000) 0.443 24.937 ( -1.179 0.000 0.000) 1.179 25.026 ( 1.926 0.000 0.000) 1.926 25.057 ( -0.400 0.000 0.000) 0.400 25.460 ( -2.232 0.000 0.000) 2.232 25.836 ( 0.419 0.000 0.000) 0.419 27.380 ( -8.329 0.000 0.000) 8.329 27.482 ( 0.046 0.000 0.000) 0.046 27.744 ( -0.403 0.000 0.000) 0.403 27.819 ( -1.934 0.000 0.000) 1.934 27.844 ( -5.608 0.000 0.000) 5.608 27.855 ( 11.493 0.000 0.000) 11.493 28.701 ( -10.399 0.000 0.000) 10.399 29.491 ( 3.556 0.000 0.000) 3.556 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 19.982 0.000 0.000) 19.982 1.192 ( 24.280 0.000 0.000) 24.280 1.366 ( 2.154 0.000 0.000) 2.154 1.575 ( -7.009 0.000 0.000) 7.009 1.783 ( 6.859 0.000 0.000) 6.859 1.915 ( 23.961 0.000 0.000) 23.961 1.975 ( -0.049 0.000 0.000) 0.049 2.102 ( 1.413 0.000 0.000) 1.413 2.223 ( 4.614 0.000 0.000) 4.614 2.596 ( -10.462 0.000 0.000) 10.462 2.940 ( -12.921 0.000 0.000) 12.921 2.976 ( 8.499 0.000 0.000) 8.499 3.168 ( -8.268 0.000 0.000) 8.268 3.218 ( 1.029 0.000 0.000) 1.029 3.235 ( 20.406 0.000 0.000) 20.406 3.493 ( 0.242 0.000 0.000) 0.242 3.528 ( 4.972 0.000 0.000) 4.972 3.574 ( 14.456 0.000 0.000) 14.456 3.641 ( 1.699 0.000 0.000) 1.699 3.755 ( 1.070 0.000 0.000) 1.070 3.776 ( 0.402 0.000 0.000) 0.402 3.934 ( 10.813 0.000 0.000) 10.813 3.939 ( 3.192 0.000 0.000) 3.192 3.965 ( 2.499 0.000 0.000) 2.499 4.092 ( 10.581 0.000 0.000) 10.581 4.310 ( 10.042 0.000 0.000) 10.042 4.379 ( 7.925 0.000 0.000) 7.925 4.404 ( -2.502 0.000 0.000) 2.502 4.536 ( -0.191 0.000 0.000) 0.191 4.691 ( 1.441 0.000 0.000) 1.441 4.850 ( 1.056 0.000 0.000) 1.056 4.917 ( 1.602 0.000 0.000) 1.602 5.129 ( 2.396 0.000 0.000) 2.396 5.130 ( 8.225 0.000 0.000) 8.225 5.136 ( 9.835 0.000 0.000) 9.835 5.779 ( 8.529 0.000 0.000) 8.529 6.666 ( -0.811 0.000 0.000) 0.811 6.932 ( -0.460 0.000 0.000) 0.460 7.101 ( -2.827 0.000 0.000) 2.827 7.105 ( -0.645 0.000 0.000) 0.645 7.380 ( -4.622 0.000 0.000) 4.622 7.442 ( -2.242 0.000 0.000) 2.242 7.690 ( 0.419 0.000 0.000) 0.419 7.790 ( -0.132 0.000 0.000) 0.132 7.823 ( -0.013 0.000 0.000) 0.013 7.945 ( -4.333 0.000 0.000) 4.333 7.988 ( 2.099 0.000 0.000) 2.099 8.094 ( 0.709 0.000 0.000) 0.709 8.270 ( -3.906 0.000 0.000) 3.906 8.545 ( 5.895 0.000 0.000) 5.895 8.845 ( -4.036 0.000 0.000) 4.036 9.047 ( 5.109 0.000 0.000) 5.109 9.429 ( -4.144 0.000 0.000) 4.144 9.498 ( -5.065 0.000 0.000) 5.065 9.885 ( 7.161 0.000 0.000) 7.161 10.008 ( 0.764 0.000 0.000) 0.764 10.121 ( -16.803 0.000 0.000) 16.803 10.435 ( -5.105 0.000 0.000) 5.105 10.598 ( -0.961 0.000 0.000) 0.961 10.670 ( 2.675 0.000 0.000) 2.675 10.870 ( -11.573 0.000 0.000) 11.573 11.212 ( 6.855 0.000 0.000) 6.855 11.303 ( -11.097 0.000 0.000) 11.097 11.551 ( 2.841 0.000 0.000) 2.841 11.741 ( 2.819 0.000 0.000) 2.819 12.336 ( -5.249 0.000 0.000) 5.249 12.656 ( -4.161 0.000 0.000) 4.161 12.749 ( -10.540 0.000 0.000) 10.540 13.397 ( 7.633 0.000 0.000) 7.633 13.533 ( -7.117 0.000 0.000) 7.117 14.620 ( -8.062 0.000 0.000) 8.062 15.182 ( 0.518 0.000 0.000) 0.518 15.192 ( 6.302 0.000 0.000) 6.302 15.340 ( -7.756 0.000 0.000) 7.756 15.686 ( -9.218 0.000 0.000) 9.218 16.425 ( -3.193 0.000 0.000) 3.193 16.501 ( 2.334 0.000 0.000) 2.334 16.771 ( 13.005 0.000 0.000) 13.005 17.061 ( 14.786 0.000 0.000) 14.786 17.188 ( -0.743 0.000 0.000) 0.743 24.491 ( 0.465 0.000 0.000) 0.465 24.640 ( 1.806 0.000 0.000) 1.806 24.711 ( -0.844 0.000 0.000) 0.844 24.927 ( 0.297 0.000 0.000) 0.297 25.045 ( -0.634 0.000 0.000) 0.634 25.057 ( 0.946 0.000 0.000) 0.946 25.423 ( -0.755 0.000 0.000) 0.755 25.814 ( -3.000 0.000 0.000) 3.000 27.229 ( -5.932 0.000 0.000) 5.932 27.481 ( -0.082 0.000 0.000) 0.082 27.701 ( -7.276 0.000 0.000) 7.276 27.735 ( -0.442 0.000 0.000) 0.442 27.763 ( -3.137 0.000 0.000) 3.137 28.085 ( 9.785 0.000 0.000) 9.785 28.446 ( -12.297 0.000 0.000) 12.297 29.579 ( 4.292 0.000 0.000) 4.292 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 4.447 0.000 0.000) 4.447 1.383 ( -1.899 0.000 0.000) 1.899 1.472 ( 8.064 0.000 0.000) 8.064 1.741 ( 17.164 0.000 0.000) 17.164 1.966 ( -0.458 0.000 0.000) 0.458 1.969 ( 11.270 0.000 0.000) 11.270 2.159 ( 3.396 0.000 0.000) 3.396 2.179 ( 5.422 0.000 0.000) 5.422 2.286 ( 0.927 0.000 0.000) 0.927 2.421 ( -4.191 0.000 0.000) 4.191 2.635 ( -15.513 0.000 0.000) 15.513 2.897 ( -16.156 0.000 0.000) 16.156 3.196 ( 8.663 0.000 0.000) 8.663 3.238 ( 1.143 0.000 0.000) 1.143 3.490 ( -0.232 0.000 0.000) 0.232 3.560 ( 10.291 0.000 0.000) 10.291 3.619 ( 3.068 0.000 0.000) 3.068 3.696 ( 2.738 0.000 0.000) 2.738 3.778 ( 0.951 0.000 0.000) 0.951 3.782 ( -0.022 0.000 0.000) 0.022 3.829 ( 7.392 0.000 0.000) 7.392 4.000 ( 0.947 0.000 0.000) 0.947 4.011 ( 2.123 0.000 0.000) 2.123 4.049 ( 6.194 0.000 0.000) 6.194 4.349 ( -2.385 0.000 0.000) 2.385 4.370 ( -6.002 0.000 0.000) 6.002 4.484 ( 5.514 0.000 0.000) 5.514 4.510 ( 6.375 0.000 0.000) 6.375 4.544 ( 18.501 0.000 0.000) 18.501 4.741 ( 3.181 0.000 0.000) 3.181 4.865 ( 0.264 0.000 0.000) 0.264 4.949 ( 1.243 0.000 0.000) 1.243 5.168 ( 1.166 0.000 0.000) 1.166 5.311 ( 7.092 0.000 0.000) 7.092 5.455 ( 14.395 0.000 0.000) 14.395 5.973 ( 8.357 0.000 0.000) 8.357 6.703 ( 4.210 0.000 0.000) 4.210 6.924 ( -1.003 0.000 0.000) 1.003 7.004 ( -5.347 0.000 0.000) 5.347 7.113 ( 1.472 0.000 0.000) 1.472 7.273 ( -5.195 0.000 0.000) 5.195 7.383 ( -2.804 0.000 0.000) 2.804 7.692 ( -0.148 0.000 0.000) 0.148 7.793 ( 0.672 0.000 0.000) 0.672 7.836 ( 1.541 0.000 0.000) 1.541 7.875 ( -2.084 0.000 0.000) 2.084 7.983 ( -2.274 0.000 0.000) 2.274 8.102 ( -0.236 0.000 0.000) 0.236 8.218 ( -1.273 0.000 0.000) 1.273 8.648 ( 3.692 0.000 0.000) 3.692 8.778 ( -2.203 0.000 0.000) 2.203 9.133 ( 2.941 0.000 0.000) 2.941 9.362 ( -1.491 0.000 0.000) 1.491 9.370 ( -6.214 0.000 0.000) 6.214 9.751 ( -16.723 0.000 0.000) 16.723 10.021 ( 0.425 0.000 0.000) 0.425 10.037 ( 6.514 0.000 0.000) 6.514 10.359 ( -1.660 0.000 0.000) 1.660 10.580 ( -0.636 0.000 0.000) 0.636 10.624 ( -10.539 0.000 0.000) 10.539 10.724 ( 1.879 0.000 0.000) 1.879 11.097 ( -7.611 0.000 0.000) 7.611 11.346 ( 5.129 0.000 0.000) 5.129 11.575 ( -0.163 0.000 0.000) 0.163 11.797 ( 2.185 0.000 0.000) 2.185 12.272 ( -1.220 0.000 0.000) 1.220 12.571 ( -5.883 0.000 0.000) 5.883 12.572 ( -3.358 0.000 0.000) 3.358 13.392 ( -5.461 0.000 0.000) 5.461 13.515 ( 3.587 0.000 0.000) 3.587 14.492 ( -3.972 0.000 0.000) 3.972 15.192 ( 0.379 0.000 0.000) 0.379 15.234 ( -2.781 0.000 0.000) 2.781 15.305 ( 3.947 0.000 0.000) 3.947 15.507 ( -6.904 0.000 0.000) 6.904 16.363 ( -2.351 0.000 0.000) 2.351 16.543 ( 1.538 0.000 0.000) 1.538 16.989 ( 7.294 0.000 0.000) 7.294 17.171 ( -0.709 0.000 0.000) 0.709 17.304 ( 8.009 0.000 0.000) 8.009 24.503 ( 0.544 0.000 0.000) 0.544 24.676 ( 1.369 0.000 0.000) 1.369 24.693 ( -0.835 0.000 0.000) 0.835 24.945 ( 1.108 0.000 0.000) 1.108 25.032 ( -0.521 0.000 0.000) 0.521 25.065 ( -0.089 0.000 0.000) 0.089 25.444 ( 2.882 0.000 0.000) 2.882 25.708 ( -6.630 0.000 0.000) 6.630 27.134 ( -3.101 0.000 0.000) 3.101 27.478 ( -0.173 0.000 0.000) 0.173 27.567 ( -4.843 0.000 0.000) 4.843 27.701 ( -2.422 0.000 0.000) 2.422 27.728 ( -0.211 0.000 0.000) 0.211 28.237 ( -6.876 0.000 0.000) 6.876 28.248 ( 5.436 0.000 0.000) 5.436 29.655 ( 2.666 0.000 0.000) 2.666 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 0.000 0.000) 0.000 1.363 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.939 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 2.197 ( -0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.523 ( -0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.816 ( -0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.188 ( -0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 8.755 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.528 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 0.000) 0.000 10.493 ( -0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.743 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 12.263 ( 0.000 0.000 0.000) 0.000 12.509 ( 0.000 0.000 0.000) 0.000 12.534 ( 0.000 0.000 0.000) 0.000 13.331 ( 0.000 0.000 0.000) 0.000 13.551 ( 0.000 0.000 0.000) 0.000 14.451 ( 0.000 0.000 0.000) 0.000 15.196 ( 0.000 0.000 0.000) 0.000 15.207 ( 0.000 0.000 0.000) 0.000 15.347 ( 0.000 0.000 0.000) 0.000 15.429 ( 0.000 0.000 0.000) 0.000 16.337 ( 0.000 0.000 0.000) 0.000 16.560 ( 0.000 0.000 0.000) 0.000 17.067 ( 0.000 0.000 0.000) 0.000 17.163 ( 0.000 0.000 0.000) 0.000 17.389 ( 0.000 0.000 0.000) 0.000 24.510 ( 0.000 0.000 0.000) 0.000 24.683 ( 0.000 0.000 0.000) 0.000 24.691 ( 0.000 0.000 0.000) 0.000 24.960 ( -0.000 0.000 0.000) 0.000 25.026 ( 0.000 0.000 0.000) 0.000 25.062 ( 0.000 0.000 0.000) 0.000 25.518 ( 0.000 0.000 0.000) 0.000 25.589 ( 0.000 0.000 0.000) 0.000 27.101 ( 0.000 0.000 0.000) 0.000 27.476 ( 0.000 0.000 0.000) 0.000 27.514 ( 0.000 0.000 0.000) 0.000 27.674 ( 0.000 0.000 0.000) 0.000 27.725 ( 0.000 0.000 0.000) 0.000 28.165 ( 0.000 0.000 0.000) 0.000 28.306 ( 0.000 0.000 0.000) 0.000 29.684 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.000 26.871 0.000) 26.871 0.631 ( 0.000 30.006 0.000) 30.006 1.159 ( 0.000 52.858 0.000) 52.858 1.595 ( 0.000 22.979 0.000) 22.979 1.643 ( 0.000 1.363 0.000) 1.363 1.901 ( 0.000 2.794 0.000) 2.794 2.175 ( 0.000 5.084 0.000) 5.084 2.211 ( 0.000 3.118 0.000) 3.118 2.262 ( 0.000 5.018 0.000) 5.018 2.622 ( 0.000 4.706 0.000) 4.706 2.846 ( 0.000 -3.959 0.000) 3.959 2.943 ( 0.000 -1.862 0.000) 1.862 2.953 ( 0.000 -0.804 0.000) 0.804 3.174 ( 0.000 -0.450 0.000) 0.450 3.214 ( 0.000 -0.060 0.000) 0.060 3.226 ( 0.000 -1.563 0.000) 1.563 3.287 ( 0.000 -7.980 0.000) 7.980 3.365 ( 0.000 -3.724 0.000) 3.724 3.574 ( 0.000 3.398 0.000) 3.398 3.722 ( 0.000 0.447 0.000) 0.447 3.761 ( 0.000 -10.235 0.000) 10.235 3.765 ( 0.000 -4.633 0.000) 4.633 3.805 ( 0.000 -1.696 0.000) 1.696 3.835 ( 0.000 6.498 0.000) 6.498 3.919 ( 0.000 -1.014 0.000) 1.014 4.038 ( 0.000 -1.465 0.000) 1.465 4.074 ( 0.000 1.166 0.000) 1.166 4.146 ( 0.000 -0.458 0.000) 0.458 4.552 ( 0.000 7.526 0.000) 7.526 4.630 ( 0.000 -4.235 0.000) 4.235 4.886 ( 0.000 -9.614 0.000) 9.614 4.887 ( 0.000 0.859 0.000) 0.859 5.090 ( 0.000 0.599 0.000) 0.599 5.099 ( 0.000 1.428 0.000) 1.428 5.132 ( 0.000 2.144 0.000) 2.144 5.215 ( 0.000 -6.529 0.000) 6.529 6.872 ( 0.000 5.332 0.000) 5.332 6.977 ( 0.000 3.114 0.000) 3.114 7.087 ( 0.000 1.254 0.000) 1.254 7.463 ( 0.000 -2.419 0.000) 2.419 7.465 ( 0.000 -0.773 0.000) 0.773 7.665 ( 0.000 3.679 0.000) 3.679 7.781 ( 0.000 1.091 0.000) 1.091 7.812 ( 0.000 6.939 0.000) 6.939 7.823 ( 0.000 -4.521 0.000) 4.521 7.884 ( 0.000 2.422 0.000) 2.422 8.067 ( 0.000 -0.498 0.000) 0.498 8.369 ( 0.000 0.466 0.000) 0.466 8.561 ( 0.000 9.593 0.000) 9.593 8.594 ( 0.000 -0.256 0.000) 0.256 8.792 ( 0.000 -5.326 0.000) 5.326 8.827 ( 0.000 -2.510 0.000) 2.510 9.040 ( 0.000 4.787 0.000) 4.787 9.418 ( 0.000 -12.610 0.000) 12.610 9.590 ( 0.000 -0.929 0.000) 0.929 9.915 ( 0.000 -1.533 0.000) 1.533 9.952 ( 0.000 -3.187 0.000) 3.187 10.494 ( 0.000 -9.064 0.000) 9.064 10.643 ( 0.000 3.163 0.000) 3.163 10.643 ( 0.000 -0.026 0.000) 0.026 10.964 ( 0.000 -6.716 0.000) 6.716 11.104 ( 0.000 -3.489 0.000) 3.489 11.343 ( 0.000 -9.174 0.000) 9.174 11.499 ( 0.000 -6.434 0.000) 6.434 11.702 ( 0.000 4.959 0.000) 4.959 12.729 ( 0.000 -3.033 0.000) 3.033 13.094 ( 0.000 1.770 0.000) 1.770 13.252 ( 0.000 14.856 0.000) 14.856 13.271 ( 0.000 -7.339 0.000) 7.339 13.989 ( 0.000 19.696 0.000) 19.696 14.815 ( 0.000 -6.082 0.000) 6.082 15.053 ( 0.000 -0.189 0.000) 0.189 15.146 ( 0.000 -2.064 0.000) 2.064 15.421 ( 0.000 1.563 0.000) 1.563 15.733 ( 0.000 -3.889 0.000) 3.889 16.090 ( 0.000 -3.031 0.000) 3.031 16.321 ( 0.000 0.141 0.000) 0.141 16.477 ( 0.000 5.564 0.000) 5.564 16.503 ( 0.000 -0.537 0.000) 0.537 17.183 ( 0.000 -1.908 0.000) 1.908 24.486 ( 0.000 0.452 0.000) 0.452 24.662 ( 0.000 5.783 0.000) 5.783 24.716 ( 0.000 -1.143 0.000) 1.143 24.914 ( 0.000 -1.749 0.000) 1.749 24.954 ( 0.000 -0.896 0.000) 0.896 25.062 ( 0.000 0.001 0.000) 0.001 25.868 ( 0.000 3.951 0.000) 3.951 26.484 ( 0.000 -1.698 0.000) 1.698 27.441 ( 0.000 -2.487 0.000) 2.487 27.542 ( 0.000 -6.824 0.000) 6.824 27.616 ( 0.000 6.423 0.000) 6.423 27.726 ( 0.000 -5.341 0.000) 5.341 27.875 ( 0.000 6.861 0.000) 6.861 27.877 ( 0.000 -2.850 0.000) 2.850 28.103 ( 0.000 10.803 0.000) 10.803 29.074 ( 0.000 -6.800 0.000) 6.800 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 15.619 18.971 0.000) 24.573 0.947 ( 19.959 21.610 0.000) 29.417 1.521 ( 28.970 33.740 0.000) 44.471 1.585 ( -0.570 19.166 0.000) 19.175 1.696 ( 4.675 4.321 0.000) 6.366 1.862 ( -9.823 6.501 0.000) 11.780 1.969 ( -2.627 0.302 0.000) 2.644 2.185 ( -1.260 7.769 0.000) 7.870 2.325 ( 1.923 10.294 0.000) 10.472 2.786 ( -6.755 0.100 0.000) 6.755 2.833 ( 17.904 4.156 0.000) 18.380 2.845 ( 0.870 -4.502 0.000) 4.585 3.135 ( 2.477 -5.672 0.000) 6.190 3.157 ( -5.601 -0.003 0.000) 5.601 3.187 ( 4.189 -0.392 0.000) 4.207 3.296 ( 7.705 -0.515 0.000) 7.722 3.354 ( 4.388 -7.620 0.000) 8.793 3.429 ( 4.047 -3.603 0.000) 5.418 3.649 ( -3.894 0.379 0.000) 3.912 3.691 ( 9.984 1.794 0.000) 10.144 3.713 ( -2.401 -5.543 0.000) 6.041 3.789 ( 2.419 0.311 0.000) 2.439 3.854 ( 2.884 -3.639 0.000) 4.643 3.855 ( 2.464 0.423 0.000) 2.500 4.045 ( 10.766 -1.380 0.000) 10.854 4.046 ( 0.742 -0.428 0.000) 0.857 4.221 ( 9.535 1.636 0.000) 9.674 4.227 ( 6.350 -4.346 0.000) 7.695 4.572 ( 2.203 7.361 0.000) 7.683 4.652 ( 1.861 -2.967 0.000) 3.502 4.863 ( -1.247 -1.423 0.000) 1.892 4.900 ( -0.807 2.204 0.000) 2.347 4.938 ( 2.197 -3.985 0.000) 4.551 5.125 ( 1.937 2.254 0.000) 2.972 5.127 ( -6.206 -4.150 0.000) 7.466 5.448 ( 12.251 -9.384 0.000) 15.432 6.782 ( -5.295 4.437 0.000) 6.908 6.989 ( -0.212 3.178 0.000) 3.185 7.127 ( 1.817 2.289 0.000) 2.922 7.416 ( -14.766 11.643 0.000) 18.804 7.447 ( -2.259 -0.926 0.000) 2.441 7.449 ( -1.073 -1.552 0.000) 1.887 7.741 ( -0.761 6.945 0.000) 6.987 7.810 ( 1.297 0.491 0.000) 1.386 7.877 ( 0.474 1.598 0.000) 1.667 7.908 ( 2.480 1.108 0.000) 2.716 8.037 ( -5.169 0.391 0.000) 5.184 8.107 ( -4.817 4.156 0.000) 6.362 8.404 ( 1.852 -0.365 0.000) 1.887 8.492 ( -3.524 9.409 0.000) 10.047 8.912 ( 6.032 -1.990 0.000) 6.351 8.959 ( -3.110 1.951 0.000) 3.671 9.367 ( 1.301 -11.819 0.000) 11.890 9.549 ( -3.601 -1.902 0.000) 4.073 9.576 ( 14.277 -20.690 0.000) 25.138 9.970 ( 1.834 -10.568 0.000) 10.726 9.975 ( 1.903 -1.883 0.000) 2.677 10.482 ( -1.352 -6.120 0.000) 6.268 10.598 ( -0.393 -0.473 0.000) 0.615 10.727 ( 3.420 4.425 0.000) 5.592 10.980 ( 1.733 -9.856 0.000) 10.007 11.034 ( -6.600 -3.307 0.000) 7.383 11.388 ( 3.556 -11.713 0.000) 12.241 11.436 ( -6.186 -6.207 0.000) 8.763 11.710 ( 0.703 4.371 0.000) 4.427 12.700 ( -2.641 -3.006 0.000) 4.001 12.712 ( -26.598 11.984 0.000) 29.173 13.162 ( -7.653 15.926 0.000) 17.670 13.182 ( 5.144 -0.779 0.000) 5.203 13.948 ( -3.825 19.878 0.000) 20.243 14.724 ( -7.934 -7.152 0.000) 10.682 15.083 ( 4.128 0.831 0.000) 4.210 15.172 ( 1.412 -0.308 0.000) 1.446 15.496 ( -11.163 -6.024 0.000) 12.685 15.843 ( 5.509 -1.045 0.000) 5.607 16.217 ( 11.779 -10.478 0.000) 15.765 16.447 ( 6.937 -1.866 0.000) 7.184 16.497 ( 2.850 0.066 0.000) 2.851 16.678 ( 16.171 0.188 0.000) 16.172 17.181 ( -0.246 -1.896 0.000) 1.912 24.487 ( 0.067 0.347 0.000) 0.353 24.671 ( 0.850 5.307 0.000) 5.374 24.712 ( -0.392 -0.970 0.000) 1.046 24.908 ( -0.047 -1.487 0.000) 1.488 24.994 ( 2.444 -1.995 0.000) 3.155 25.058 ( -0.388 0.013 0.000) 0.388 25.782 ( -12.483 10.487 0.000) 16.304 25.972 ( -11.997 14.505 0.000) 18.823 27.357 ( -6.887 -1.833 0.000) 7.127 27.476 ( -1.770 -2.108 0.000) 2.753 27.714 ( 3.776 1.532 0.000) 4.075 27.788 ( -3.507 -4.994 0.000) 6.103 27.820 ( -2.865 -0.994 0.000) 3.032 27.956 ( 7.443 6.120 0.000) 9.636 28.506 ( 7.887 -10.775 0.000) 13.353 29.171 ( 10.731 -14.926 0.000) 18.384 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 16.525 10.709 0.000) 19.692 1.365 ( 19.111 13.484 0.000) 23.390 1.577 ( -0.127 15.741 0.000) 15.741 1.615 ( -9.264 3.703 0.000) 9.976 1.832 ( 8.207 6.496 0.000) 10.467 1.986 ( 3.838 1.019 0.000) 3.971 2.039 ( 11.228 12.476 0.000) 16.784 2.180 ( 2.032 7.580 0.000) 7.847 2.351 ( -1.247 5.796 0.000) 5.929 2.638 ( -5.770 4.473 0.000) 7.301 2.938 ( 6.714 -1.274 0.000) 6.834 2.949 ( -10.620 1.042 0.000) 10.671 3.147 ( 0.882 -2.784 0.000) 2.920 3.232 ( -1.709 2.076 0.000) 2.689 3.283 ( 17.713 4.274 0.000) 18.222 3.441 ( 3.993 -5.898 0.000) 7.122 3.513 ( 4.261 -3.272 0.000) 5.373 3.520 ( 13.559 -3.986 0.000) 14.133 3.591 ( -1.042 -1.035 0.000) 1.469 3.701 ( 1.384 -4.278 0.000) 4.496 3.802 ( 1.882 0.168 0.000) 1.889 3.893 ( 2.136 -4.474 0.000) 4.958 3.942 ( 4.910 1.620 0.000) 5.170 4.030 ( 10.331 4.861 0.000) 11.418 4.085 ( 9.303 0.223 0.000) 9.306 4.293 ( 11.720 -0.979 0.000) 11.761 4.323 ( 2.242 -4.834 0.000) 5.329 4.390 ( 5.852 0.477 0.000) 5.871 4.582 ( -4.440 2.504 0.000) 5.097 4.709 ( 3.492 0.837 0.000) 3.591 4.858 ( 0.406 1.121 0.000) 1.192 4.917 ( 1.881 -0.342 0.000) 1.912 5.051 ( 7.215 -3.840 0.000) 8.173 5.136 ( 10.861 -0.013 0.000) 10.861 5.193 ( 5.092 2.603 0.000) 5.718 5.663 ( 9.735 -8.950 0.000) 13.224 6.709 ( -1.152 3.935 0.000) 4.100 6.972 ( -1.255 2.175 0.000) 2.511 7.119 ( -2.325 3.175 0.000) 3.935 7.205 ( -5.781 7.294 0.000) 9.307 7.389 ( -3.850 0.136 0.000) 3.852 7.420 ( -2.044 -1.719 0.000) 2.671 7.730 ( -0.505 5.029 0.000) 5.055 7.809 ( -0.959 -0.400 0.000) 1.039 7.869 ( -0.868 0.790 0.000) 1.174 7.921 ( -4.672 -0.831 0.000) 4.746 7.967 ( 2.214 -0.269 0.000) 2.230 8.093 ( 0.402 0.594 0.000) 0.717 8.362 ( -3.282 7.410 0.000) 8.105 8.519 ( 3.422 -0.492 0.000) 3.457 8.888 ( -3.179 4.251 0.000) 5.308 9.025 ( 3.849 -3.753 0.000) 5.376 9.336 ( -2.695 -8.558 0.000) 8.972 9.458 ( -4.427 -1.529 0.000) 4.683 9.695 ( -2.904 -22.430 0.000) 22.617 9.959 ( 0.547 -1.955 0.000) 2.030 10.021 ( 2.225 0.301 0.000) 2.245 10.434 ( -2.979 -0.665 0.000) 3.052 10.599 ( 0.266 0.362 0.000) 0.449 10.779 ( 1.668 5.910 0.000) 6.141 10.841 ( -11.098 -2.600 0.000) 11.399 11.042 ( 3.976 -16.572 0.000) 17.042 11.255 ( -10.017 -4.465 0.000) 10.967 11.457 ( 2.331 -14.273 0.000) 14.462 11.726 ( 0.780 2.966 0.000) 3.067 12.321 ( -12.068 5.406 0.000) 13.223 12.626 ( -4.115 -2.921 0.000) 5.047 12.985 ( -7.891 18.660 0.000) 20.260 13.301 ( 5.396 -4.265 0.000) 6.878 13.837 ( -6.396 19.514 0.000) 20.535 14.551 ( -7.314 -6.284 0.000) 9.643 15.178 ( 1.938 0.107 0.000) 1.941 15.214 ( 4.623 1.330 0.000) 4.811 15.283 ( -7.598 -5.047 0.000) 9.122 15.775 ( -7.374 7.695 0.000) 10.657 16.429 ( -2.496 0.411 0.000) 2.530 16.430 ( 7.310 -5.422 0.000) 9.101 16.733 ( 12.160 -3.370 0.000) 12.619 17.024 ( 14.946 -2.688 0.000) 15.186 17.171 ( -0.662 -1.801 0.000) 1.919 24.491 ( 0.321 0.093 0.000) 0.335 24.690 ( 0.231 1.091 0.000) 1.115 24.704 ( 0.279 2.527 0.000) 2.542 24.916 ( 0.825 -0.784 0.000) 1.138 25.033 ( 1.205 -2.047 0.000) 2.375 25.047 ( -0.612 0.046 0.000) 0.614 25.558 ( -6.064 10.160 0.000) 11.832 25.861 ( -4.586 4.140 0.000) 6.178 27.220 ( -5.608 -0.753 0.000) 5.659 27.446 ( -1.230 -3.660 0.000) 3.861 27.666 ( -6.518 -2.951 0.000) 7.155 27.753 ( -3.753 -1.556 0.000) 4.063 27.763 ( 1.428 3.803 0.000) 4.062 28.136 ( 8.515 3.844 0.000) 9.342 28.432 ( -8.291 -0.310 0.000) 8.297 29.392 ( 8.355 -14.644 0.000) 16.860 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 8.041 9.302 0.000) 12.296 1.448 ( -3.822 5.379 0.000) 6.599 1.588 ( 1.477 10.102 0.000) 10.209 1.768 ( 14.878 1.615 0.000) 14.966 2.031 ( 2.027 3.860 0.000) 4.360 2.045 ( 12.146 8.232 0.000) 14.673 2.133 ( 1.024 3.254 0.000) 3.411 2.226 ( -1.577 0.620 0.000) 1.694 2.309 ( 0.693 7.124 0.000) 7.157 2.556 ( -1.882 5.489 0.000) 5.803 2.679 ( -14.198 4.197 0.000) 14.805 2.894 ( -9.909 1.260 0.000) 9.988 3.212 ( 1.888 -1.317 0.000) 2.301 3.248 ( 4.502 3.258 0.000) 5.557 3.481 ( 2.642 -5.400 0.000) 6.011 3.523 ( 1.674 0.162 0.000) 1.682 3.576 ( 1.956 -3.730 0.000) 4.211 3.663 ( 7.550 -0.218 0.000) 7.553 3.727 ( 1.800 -6.343 0.000) 6.594 3.825 ( 11.011 -0.041 0.000) 11.011 3.826 ( 0.340 2.241 0.000) 2.266 3.938 ( 2.264 -4.348 0.000) 4.902 4.028 ( 2.522 0.506 0.000) 2.572 4.066 ( 0.398 2.502 0.000) 2.533 4.284 ( 0.045 -3.509 0.000) 3.509 4.382 ( -5.697 -0.458 0.000) 5.716 4.484 ( 5.330 -0.053 0.000) 5.330 4.509 ( 6.209 0.220 0.000) 6.213 4.590 ( 16.692 4.518 0.000) 17.293 4.798 ( 4.906 4.069 0.000) 6.374 4.872 ( 1.043 1.165 0.000) 1.564 4.957 ( 1.583 0.616 0.000) 1.698 5.157 ( 2.838 -1.011 0.000) 3.012 5.338 ( 6.652 2.209 0.000) 7.009 5.454 ( 14.427 -0.574 0.000) 14.438 5.871 ( 8.862 -8.473 0.000) 12.261 6.734 ( 3.147 2.679 0.000) 4.133 6.925 ( -3.763 -0.976 0.000) 3.888 7.063 ( -1.927 6.693 0.000) 6.965 7.142 ( -0.683 2.390 0.000) 2.486 7.292 ( -4.904 1.420 0.000) 5.106 7.363 ( -2.831 -1.509 0.000) 3.208 7.723 ( -0.039 3.459 0.000) 3.459 7.789 ( -0.638 -2.194 0.000) 2.285 7.835 ( -2.069 -3.660 0.000) 4.204 7.864 ( -0.743 1.036 0.000) 1.275 7.979 ( -0.971 0.590 0.000) 1.136 8.106 ( 0.866 0.858 0.000) 1.219 8.311 ( -1.637 8.891 0.000) 9.040 8.582 ( 2.301 -4.502 0.000) 5.056 8.830 ( -2.379 4.854 0.000) 5.406 9.050 ( -1.186 -8.652 0.000) 8.733 9.284 ( -1.580 -7.043 0.000) 7.218 9.391 ( -1.554 3.310 0.000) 3.656 9.508 ( -11.352 -18.357 0.000) 21.584 10.033 ( 4.438 -0.160 0.000) 4.441 10.059 ( 1.303 1.995 0.000) 2.383 10.380 ( -1.537 1.773 0.000) 2.347 10.608 ( -9.883 -1.324 0.000) 9.972 10.614 ( 1.233 2.758 0.000) 3.021 10.800 ( 0.176 4.324 0.000) 4.328 11.064 ( -7.027 -2.713 0.000) 7.532 11.126 ( 3.456 -21.881 0.000) 22.152 11.477 ( -0.195 -14.958 0.000) 14.960 11.740 ( 0.523 1.847 0.000) 1.920 12.155 ( -4.536 -0.752 0.000) 4.598 12.543 ( -3.282 -2.770 0.000) 4.294 12.861 ( -3.764 21.274 0.000) 21.605 13.400 ( 4.169 -5.457 0.000) 6.867 13.698 ( -6.339 18.586 0.000) 19.637 14.437 ( -3.506 -5.192 0.000) 6.265 15.184 ( -2.309 -4.533 0.000) 5.087 15.192 ( 0.243 0.091 0.000) 0.260 15.312 ( 3.541 0.548 0.000) 3.584 15.619 ( -6.363 9.932 0.000) 11.796 16.381 ( -1.772 1.755 0.000) 2.494 16.538 ( 3.245 -0.475 0.000) 3.279 16.940 ( 7.009 -4.470 0.000) 8.313 17.154 ( -0.641 -1.720 0.000) 1.836 17.272 ( 8.055 -2.911 0.000) 8.565 24.500 ( 0.456 -0.160 0.000) 0.483 24.677 ( -0.776 -1.400 0.000) 1.601 24.725 ( 0.979 4.305 0.000) 4.415 24.939 ( 1.111 -0.490 0.000) 1.215 25.034 ( -0.495 0.093 0.000) 0.504 25.047 ( 0.212 -1.621 0.000) 1.634 25.510 ( 1.027 5.519 0.000) 5.613 25.735 ( -7.054 2.374 0.000) 7.443 27.129 ( -2.976 -0.354 0.000) 2.997 27.425 ( -0.755 -4.782 0.000) 4.841 27.546 ( -4.399 -1.827 0.000) 4.763 27.680 ( -2.682 -2.077 0.000) 3.393 27.784 ( 0.642 5.513 0.000) 5.550 28.277 ( -5.434 4.035 0.000) 6.768 28.282 ( 4.958 2.573 0.000) 5.586 29.517 ( 3.764 -12.070 0.000) 12.644 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 4.399 0.000) 4.399 1.481 ( -0.000 13.109 0.000) 13.109 1.618 ( 0.000 4.252 0.000) 4.252 1.926 ( 0.000 -1.129 0.000) 1.129 2.091 ( 0.000 11.714 0.000) 11.714 2.122 ( -0.000 -8.058 0.000) 8.058 2.197 ( 0.000 -0.381 0.000) 0.381 2.279 ( -0.000 8.347 0.000) 8.347 2.330 ( -0.000 8.480 0.000) 8.480 2.426 ( 0.000 5.577 0.000) 5.577 2.562 ( -0.000 -1.137 0.000) 1.137 2.727 ( 0.000 12.176 0.000) 12.176 3.229 ( 0.000 -1.048 0.000) 1.048 3.302 ( -0.000 0.520 0.000) 0.520 3.503 ( 0.000 -1.745 0.000) 1.745 3.536 ( 0.000 -5.439 0.000) 5.439 3.597 ( 0.000 -4.174 0.000) 4.174 3.743 ( 0.000 -6.644 0.000) 6.644 3.761 ( -0.000 -1.276 0.000) 1.276 3.823 ( 0.000 4.970 0.000) 4.970 3.950 ( 0.000 3.874 0.000) 3.874 3.970 ( -0.000 -4.392 0.000) 4.392 4.044 ( 0.000 -2.689 0.000) 2.689 4.072 ( -0.000 1.665 0.000) 1.665 4.282 ( -0.000 1.404 0.000) 1.404 4.282 ( 0.000 -2.844 0.000) 2.844 4.543 ( 0.000 -3.238 0.000) 3.238 4.577 ( 0.000 2.155 0.000) 2.155 4.816 ( 0.000 2.916 0.000) 2.916 4.857 ( 0.000 -0.052 0.000) 0.052 4.900 ( 0.000 7.027 0.000) 7.027 4.974 ( 0.000 0.969 0.000) 0.969 5.188 ( 0.000 0.882 0.000) 0.882 5.413 ( 0.000 2.345 0.000) 2.345 5.619 ( -0.000 -0.378 0.000) 0.378 5.972 ( 0.000 -7.987 0.000) 7.987 6.824 ( 0.001 0.508 0.000) 0.508 6.824 ( -0.001 -0.793 0.000) 0.793 7.048 ( 0.000 8.315 0.000) 8.315 7.149 ( 0.000 -0.503 0.000) 0.503 7.222 ( -0.000 2.883 0.000) 2.883 7.328 ( 0.000 -1.722 0.000) 1.722 7.724 ( 0.000 3.209 0.000) 3.209 7.785 ( 0.000 -3.498 0.000) 3.498 7.813 ( 0.000 -3.774 0.000) 3.774 7.860 ( 0.000 -1.180 0.000) 1.180 7.959 ( -0.000 1.500 0.000) 1.500 8.120 ( 0.000 2.138 0.000) 2.138 8.293 ( 0.000 9.083 0.000) 9.083 8.607 ( 0.000 -5.847 0.000) 5.847 8.799 ( 0.000 3.822 0.000) 3.822 9.026 ( 0.000 -10.271 0.000) 10.271 9.286 ( 0.000 -7.867 0.000) 7.867 9.348 ( 0.000 -13.161 0.000) 13.161 9.380 ( 0.000 5.558 0.000) 5.558 10.073 ( 0.000 2.685 0.000) 2.685 10.087 ( 0.000 -1.576 0.000) 1.576 10.373 ( 0.000 1.644 0.000) 1.644 10.485 ( -0.000 -0.286 0.000) 0.286 10.634 ( -0.000 4.826 0.000) 4.826 10.795 ( 0.000 2.156 0.000) 2.156 10.988 ( 0.000 -1.504 0.000) 1.504 11.166 ( 0.000 -23.858 0.000) 23.858 11.470 ( 0.000 -14.931 0.000) 14.931 11.747 ( 0.000 1.564 0.000) 1.564 12.110 ( 0.000 -3.150 0.000) 3.150 12.506 ( 0.000 -2.677 0.000) 2.677 12.823 ( 0.000 22.239 0.000) 22.239 13.461 ( 0.000 -8.311 0.000) 8.311 13.610 ( 0.000 20.775 0.000) 20.775 14.401 ( 0.000 -4.770 0.000) 4.770 15.164 ( -0.000 -4.246 0.000) 4.246 15.194 ( 0.000 -0.059 0.000) 0.059 15.350 ( -0.000 0.126 0.000) 0.126 15.546 ( -0.000 10.654 0.000) 10.654 16.361 ( 0.000 2.394 0.000) 2.394 16.571 ( 0.000 0.909 0.000) 0.909 17.015 ( 0.000 -4.754 0.000) 4.754 17.146 ( 0.000 -1.658 0.000) 1.658 17.358 ( 0.000 -2.915 0.000) 2.915 24.505 ( -0.000 -0.267 0.000) 0.267 24.668 ( 0.000 -1.379 0.000) 1.379 24.736 ( 0.000 3.988 0.000) 3.988 24.953 ( -0.000 -0.576 0.000) 0.576 25.029 ( 0.000 0.120 0.000) 0.120 25.048 ( 0.000 -1.293 0.000) 1.293 25.572 ( 0.000 4.499 0.000) 4.499 25.606 ( -0.000 1.569 0.000) 1.569 27.098 ( 0.000 -0.232 0.000) 0.232 27.416 ( 0.000 -5.141 0.000) 5.141 27.497 ( 0.000 -1.401 0.000) 1.401 27.651 ( 0.000 -2.162 0.000) 2.162 27.791 ( -0.000 6.074 0.000) 6.074 28.219 ( 0.000 5.200 0.000) 5.200 28.335 ( 0.000 2.182 0.000) 2.182 29.556 ( 0.000 -11.439 0.000) 11.439 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 21.205 0.000) 21.205 1.241 ( 0.000 28.347 0.000) 28.347 1.666 ( 0.000 0.318 0.000) 0.318 1.964 ( 0.000 3.101 0.000) 3.101 2.117 ( 0.000 33.924 0.000) 33.924 2.137 ( 0.000 26.646 0.000) 26.646 2.200 ( 0.000 -1.299 0.000) 1.299 2.326 ( 0.000 7.922 0.000) 7.922 2.449 ( 0.000 11.922 0.000) 11.922 2.696 ( 0.000 -8.752 0.000) 8.752 2.749 ( 0.000 6.852 0.000) 6.852 2.933 ( 0.000 -1.128 0.000) 1.128 2.958 ( 0.000 0.446 0.000) 0.446 3.131 ( 0.000 -6.674 0.000) 6.674 3.166 ( 0.000 -0.104 0.000) 0.104 3.186 ( 0.000 -2.300 0.000) 2.300 3.239 ( 0.000 5.998 0.000) 5.998 3.255 ( 0.000 -6.725 0.000) 6.725 3.528 ( 0.000 -11.355 0.000) 11.355 3.574 ( 0.000 -3.325 0.000) 3.325 3.580 ( 0.000 -11.580 0.000) 11.580 3.734 ( 0.000 0.649 0.000) 0.649 3.778 ( 0.000 -1.001 0.000) 1.001 3.888 ( 0.000 0.229 0.000) 0.229 4.033 ( 0.000 10.311 0.000) 10.311 4.057 ( 0.000 -2.631 0.000) 2.631 4.058 ( 0.000 2.687 0.000) 2.687 4.153 ( 0.000 0.933 0.000) 0.933 4.470 ( 0.000 -12.831 0.000) 12.831 4.661 ( 0.000 -10.155 0.000) 10.155 4.726 ( 0.000 8.475 0.000) 8.475 4.921 ( 0.000 2.510 0.000) 2.510 5.078 ( 0.000 -5.722 0.000) 5.722 5.108 ( 0.000 -0.684 0.000) 0.684 5.110 ( 0.000 1.416 0.000) 1.416 5.172 ( 0.000 1.248 0.000) 1.248 6.979 ( 0.000 4.296 0.000) 4.296 7.037 ( 0.000 1.994 0.000) 1.994 7.147 ( 0.000 4.486 0.000) 4.486 7.417 ( 0.000 -1.151 0.000) 1.151 7.422 ( 0.000 -3.273 0.000) 3.273 7.696 ( 0.000 -7.277 0.000) 7.277 7.788 ( 0.000 6.860 0.000) 6.860 7.813 ( 0.000 2.212 0.000) 2.212 7.941 ( 0.000 2.301 0.000) 2.301 7.964 ( 0.000 7.728 0.000) 7.728 8.048 ( 0.000 -1.378 0.000) 1.378 8.389 ( 0.000 1.648 0.000) 1.648 8.606 ( 0.000 1.729 0.000) 1.729 8.626 ( 0.000 -10.616 0.000) 10.616 8.741 ( 0.000 -6.031 0.000) 6.031 8.853 ( 0.000 18.071 0.000) 18.071 9.087 ( 0.000 -16.000 0.000) 16.000 9.201 ( 0.000 10.961 0.000) 10.961 9.571 ( 0.000 -0.147 0.000) 0.147 9.858 ( 0.000 -5.681 0.000) 5.681 9.915 ( 0.000 -0.667 0.000) 0.667 10.215 ( 0.000 -17.766 0.000) 17.766 10.641 ( 0.000 -0.129 0.000) 0.129 10.701 ( 0.000 1.900 0.000) 1.900 10.820 ( 0.000 -4.852 0.000) 4.852 11.006 ( 0.000 -5.659 0.000) 5.659 11.092 ( 0.000 -12.465 0.000) 12.465 11.323 ( 0.000 -9.846 0.000) 9.846 11.900 ( 0.000 13.046 0.000) 13.046 12.630 ( 0.000 -6.516 0.000) 6.516 13.134 ( 0.000 1.753 0.000) 1.753 13.182 ( 0.000 -1.783 0.000) 1.783 13.616 ( 0.000 18.718 0.000) 18.718 14.421 ( 0.000 21.007 0.000) 21.007 14.626 ( 0.000 -11.712 0.000) 11.712 15.052 ( 0.000 0.023 0.000) 0.023 15.094 ( 0.000 -2.469 0.000) 2.469 15.410 ( 0.000 -5.030 0.000) 5.030 15.667 ( 0.000 -0.064 0.000) 0.064 16.001 ( 0.000 -5.343 0.000) 5.343 16.338 ( 0.000 1.547 0.000) 1.547 16.481 ( 0.000 -1.583 0.000) 1.583 16.633 ( 0.000 8.904 0.000) 8.904 17.119 ( 0.000 -4.382 0.000) 4.382 24.506 ( 0.000 1.517 0.000) 1.517 24.671 ( 0.000 -2.505 0.000) 2.505 24.812 ( 0.000 7.221 0.000) 7.221 24.880 ( 0.000 -1.141 0.000) 1.141 24.928 ( 0.000 -1.509 0.000) 1.509 25.055 ( 0.000 -0.767 0.000) 0.767 25.979 ( 0.000 6.448 0.000) 6.448 26.419 ( 0.000 -4.688 0.000) 4.688 27.388 ( 0.000 -2.415 0.000) 2.415 27.420 ( 0.000 -4.599 0.000) 4.599 27.651 ( 0.000 -1.818 0.000) 1.818 27.776 ( 0.000 8.321 0.000) 8.321 27.798 ( 0.000 -4.426 0.000) 4.426 27.989 ( 0.000 3.679 0.000) 3.679 28.332 ( 0.000 10.803 0.000) 10.803 28.903 ( 0.000 -8.824 0.000) 8.824 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 8.155 18.270 0.000) 20.007 1.413 ( 12.339 22.736 0.000) 25.869 1.697 ( 2.589 0.463 0.000) 2.630 1.971 ( -2.229 0.886 0.000) 2.398 1.991 ( -9.756 5.924 0.000) 11.414 2.134 ( 0.524 26.028 0.000) 26.033 2.245 ( 9.568 28.151 0.000) 29.733 2.365 ( -0.580 6.823 0.000) 6.848 2.470 ( 0.181 6.845 0.000) 6.847 2.677 ( -1.936 -9.026 0.000) 9.231 2.901 ( 1.281 4.778 0.000) 4.946 2.931 ( 13.000 4.253 0.000) 13.677 3.003 ( 3.143 -5.087 0.000) 5.980 3.174 ( 3.499 -0.156 0.000) 3.503 3.200 ( 2.376 -4.595 0.000) 5.172 3.204 ( 3.826 1.806 0.000) 4.231 3.298 ( 3.496 -6.956 0.000) 7.785 3.312 ( 4.896 2.489 0.000) 5.493 3.553 ( 2.776 -6.965 0.000) 7.498 3.576 ( 0.692 -8.764 0.000) 8.791 3.704 ( 3.315 0.481 0.000) 3.350 3.716 ( 4.564 -5.253 0.000) 6.959 3.813 ( 5.115 -1.884 0.000) 5.451 3.911 ( 4.042 3.497 0.000) 5.345 4.060 ( 0.862 2.770 0.000) 2.901 4.105 ( 6.411 5.457 0.000) 8.419 4.203 ( 3.596 0.516 0.000) 3.632 4.203 ( 9.938 -2.087 0.000) 10.155 4.540 ( 6.585 -8.798 0.000) 10.990 4.698 ( 4.126 -9.641 0.000) 10.487 4.715 ( -1.312 6.541 0.000) 6.671 4.939 ( 1.718 2.201 0.000) 2.792 4.978 ( -4.764 3.626 0.000) 5.987 5.044 ( -1.612 -3.448 0.000) 3.806 5.157 ( 1.948 0.586 0.000) 2.034 5.310 ( 7.916 -4.931 0.000) 9.326 6.888 ( -5.219 5.181 0.000) 7.354 7.029 ( -1.354 0.714 0.000) 1.530 7.218 ( 3.674 5.349 0.000) 6.490 7.409 ( -1.128 -2.236 0.000) 2.504 7.411 ( -0.667 -0.879 0.000) 1.103 7.559 ( -9.935 1.926 0.000) 10.120 7.798 ( -1.227 0.056 0.000) 1.228 7.831 ( 1.145 0.729 0.000) 1.357 7.930 ( -2.423 5.097 0.000) 5.644 7.952 ( 1.104 1.748 0.000) 2.067 8.027 ( -4.152 -0.432 0.000) 4.174 8.233 ( -10.670 5.274 0.000) 11.902 8.400 ( 0.775 0.473 0.000) 0.908 8.717 ( -1.792 3.013 0.000) 3.506 8.884 ( 1.920 7.674 0.000) 7.911 8.932 ( 6.661 -8.426 0.000) 10.741 9.091 ( 0.253 -15.753 0.000) 15.755 9.272 ( 5.435 3.275 0.000) 6.346 9.537 ( -2.382 1.662 0.000) 2.905 9.904 ( 3.588 -5.177 0.000) 6.299 9.934 ( 1.645 0.123 0.000) 1.649 10.246 ( 2.773 -17.389 0.000) 17.609 10.594 ( -1.381 0.035 0.000) 1.381 10.782 ( -3.488 -5.971 0.000) 6.915 10.788 ( 4.893 0.308 0.000) 4.903 10.943 ( -5.866 -5.158 0.000) 7.812 11.063 ( -2.444 -15.143 0.000) 15.339 11.276 ( -4.495 -8.850 0.000) 9.926 11.897 ( -0.230 12.509 0.000) 12.512 12.603 ( -2.515 -6.398 0.000) 6.874 12.911 ( -18.481 7.628 0.000) 19.993 13.170 ( 1.261 -0.975 0.000) 1.594 13.541 ( -6.223 19.050 0.000) 20.041 14.358 ( -4.900 19.276 0.000) 19.889 14.526 ( -7.656 -11.494 0.000) 13.810 15.101 ( 4.656 0.791 0.000) 4.723 15.154 ( 3.601 -1.354 0.000) 3.847 15.326 ( -9.635 -10.127 0.000) 13.979 15.851 ( 14.975 2.276 0.000) 15.147 16.105 ( 6.761 -3.202 0.000) 7.481 16.419 ( 5.525 -0.577 0.000) 5.555 16.486 ( 1.979 -1.042 0.000) 2.236 16.727 ( 9.176 4.561 0.000) 10.247 17.117 ( -0.168 -4.304 0.000) 4.307 24.504 ( -0.138 1.418 0.000) 1.425 24.666 ( -0.447 -2.514 0.000) 2.553 24.815 ( 0.297 6.936 0.000) 6.942 24.884 ( 0.530 -0.699 0.000) 0.877 24.950 ( 1.683 -2.103 0.000) 2.694 25.052 ( -0.355 -0.744 0.000) 0.825 25.928 ( -5.496 6.338 0.000) 8.389 26.184 ( -15.128 4.101 0.000) 15.674 27.318 ( -5.353 -1.673 0.000) 5.608 27.397 ( -2.105 -4.302 0.000) 4.789 27.676 ( -0.998 -4.524 0.000) 4.633 27.757 ( -3.056 -4.419 0.000) 5.373 27.825 ( 3.570 7.565 0.000) 8.365 28.057 ( 5.914 3.086 0.000) 6.671 28.453 ( 6.380 4.104 0.000) 7.586 28.934 ( 4.439 -9.375 0.000) 10.373 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 10.811 12.738 0.000) 16.707 1.637 ( 6.750 11.032 0.000) 12.933 1.741 ( -7.281 8.322 0.000) 11.058 1.752 ( 1.995 2.156 0.000) 2.937 2.014 ( 1.981 2.382 0.000) 3.099 2.188 ( 4.956 23.762 0.000) 24.273 2.313 ( -3.937 2.547 0.000) 4.689 2.377 ( 0.298 15.736 0.000) 15.739 2.459 ( 1.765 8.935 0.000) 9.107 2.624 ( -2.749 -5.070 0.000) 5.767 2.925 ( 1.119 -4.937 0.000) 5.062 2.990 ( -5.669 2.916 0.000) 6.375 3.140 ( 4.222 1.159 0.000) 4.379 3.257 ( 2.350 -8.901 0.000) 9.205 3.288 ( 1.799 2.632 0.000) 3.188 3.378 ( 6.339 -9.175 0.000) 11.152 3.419 ( 14.586 6.288 0.000) 15.884 3.438 ( 7.432 -2.525 0.000) 7.849 3.588 ( 0.852 -1.644 0.000) 1.851 3.665 ( 7.924 4.183 0.000) 8.960 3.729 ( 2.266 -8.348 0.000) 8.650 3.797 ( 3.243 -0.813 0.000) 3.343 4.022 ( 4.826 4.843 0.000) 6.837 4.046 ( 6.240 -3.115 0.000) 6.974 4.153 ( 12.773 3.774 0.000) 13.319 4.263 ( 1.833 -0.676 0.000) 1.954 4.288 ( 10.853 0.460 0.000) 10.863 4.391 ( 7.451 0.399 0.000) 7.462 4.651 ( -3.875 5.414 0.000) 6.658 4.704 ( 8.223 -1.298 0.000) 8.325 4.856 ( 9.009 -5.338 0.000) 10.472 4.911 ( -1.622 3.154 0.000) 3.547 5.007 ( 4.917 0.190 0.000) 4.921 5.120 ( 10.187 -2.255 0.000) 10.434 5.229 ( 5.501 0.603 0.000) 5.534 5.474 ( 8.458 -8.602 0.000) 12.063 6.810 ( -1.971 5.135 0.000) 5.500 6.981 ( -3.195 -0.628 0.000) 3.257 7.247 ( -0.536 6.999 0.000) 7.020 7.346 ( -9.059 5.744 0.000) 10.727 7.384 ( -2.162 0.024 0.000) 2.162 7.385 ( -1.311 -1.442 0.000) 1.949 7.758 ( -2.558 -2.072 0.000) 3.291 7.798 ( -3.342 -4.565 0.000) 5.658 7.873 ( -6.943 1.126 0.000) 7.033 7.905 ( -0.797 3.253 0.000) 3.349 7.988 ( 1.777 0.683 0.000) 1.904 8.158 ( -0.473 4.707 0.000) 4.731 8.417 ( 0.973 -0.528 0.000) 1.107 8.679 ( -1.587 8.805 0.000) 8.947 8.894 ( -1.503 -1.872 0.000) 2.400 8.974 ( -1.010 -1.084 0.000) 1.482 9.091 ( -0.273 -14.135 0.000) 14.137 9.321 ( -1.498 -3.445 0.000) 3.757 9.503 ( -0.560 5.566 0.000) 5.594 9.983 ( 3.550 -4.536 0.000) 5.760 9.983 ( 2.986 1.505 0.000) 3.344 10.317 ( 3.561 -15.420 0.000) 15.826 10.596 ( 1.254 -0.851 0.000) 1.515 10.684 ( -5.390 -10.034 0.000) 11.390 10.777 ( -9.096 -3.686 0.000) 9.814 10.864 ( 1.803 1.271 0.000) 2.206 11.009 ( -2.217 -21.836 0.000) 21.948 11.144 ( -7.385 -6.755 0.000) 10.008 11.890 ( -0.427 11.246 0.000) 11.254 12.533 ( -3.863 -6.062 0.000) 7.188 12.553 ( -13.990 13.517 0.000) 19.453 13.199 ( 1.244 -6.160 0.000) 6.285 13.404 ( -5.898 20.077 0.000) 20.925 14.236 ( -6.380 18.462 0.000) 19.534 14.373 ( -6.098 -10.565 0.000) 12.199 15.138 ( -6.859 -8.933 0.000) 11.263 15.186 ( 1.882 0.613 0.000) 1.979 15.234 ( 4.678 0.376 0.000) 4.693 15.967 ( -2.476 9.799 0.000) 10.107 16.328 ( 12.064 -3.840 0.000) 12.660 16.445 ( -0.438 1.254 0.000) 1.329 16.647 ( 9.635 -4.498 0.000) 10.633 16.975 ( 12.504 -1.690 0.000) 12.618 17.111 ( -0.374 -3.832 0.000) 3.851 24.502 ( -0.029 1.114 0.000) 1.115 24.653 ( -0.775 -2.508 0.000) 2.625 24.824 ( 0.461 6.245 0.000) 6.262 24.904 ( 1.251 -0.270 0.000) 1.280 24.984 ( 1.374 -2.405 0.000) 2.770 25.042 ( -0.554 -0.682 0.000) 0.879 25.753 ( -8.720 7.958 0.000) 11.805 25.950 ( -8.218 3.282 0.000) 8.849 27.205 ( -4.856 -0.502 0.000) 4.882 27.347 ( -2.319 -5.098 0.000) 5.601 27.598 ( -4.928 -3.015 0.000) 5.777 27.685 ( -3.757 -4.544 0.000) 5.896 27.896 ( 2.936 8.156 0.000) 8.669 28.200 ( 6.853 1.552 0.000) 7.027 28.478 ( -2.624 5.138 0.000) 5.770 29.087 ( 7.993 -13.446 0.000) 15.643 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -4.095 6.098 0.000) 7.346 1.603 ( 8.076 8.651 0.000) 11.835 1.768 ( -0.526 5.250 0.000) 5.276 1.823 ( 5.750 2.889 0.000) 6.435 2.036 ( -0.294 0.524 0.000) 0.600 2.240 ( -1.585 2.434 0.000) 2.905 2.344 ( 9.629 19.123 0.000) 21.410 2.353 ( -1.713 9.454 0.000) 9.608 2.482 ( -0.122 4.597 0.000) 4.599 2.590 ( -0.198 5.627 0.000) 5.631 2.810 ( -10.494 8.459 0.000) 13.479 2.941 ( -0.294 0.195 0.000) 0.352 3.156 ( 0.469 -3.540 0.000) 3.571 3.292 ( 1.071 -10.544 0.000) 10.598 3.302 ( -0.595 -1.571 0.000) 1.680 3.473 ( 3.209 -6.013 0.000) 6.816 3.549 ( 1.339 -5.827 0.000) 5.979 3.567 ( 1.360 2.590 0.000) 2.925 3.676 ( 5.409 0.574 0.000) 5.439 3.763 ( 1.808 -11.166 0.000) 11.312 3.879 ( 10.435 5.326 0.000) 11.716 3.891 ( 3.871 2.936 0.000) 4.859 4.084 ( 0.989 3.211 0.000) 3.359 4.097 ( 0.896 0.287 0.000) 0.941 4.248 ( -0.705 -0.031 0.000) 0.705 4.346 ( -1.419 -2.654 0.000) 3.009 4.490 ( 3.982 0.794 0.000) 4.061 4.515 ( 6.700 0.574 0.000) 6.725 4.739 ( 13.439 9.667 0.000) 16.554 4.866 ( 2.900 2.519 0.000) 3.842 4.922 ( 5.348 2.670 0.000) 5.978 4.976 ( 2.943 1.496 0.000) 3.302 5.130 ( 5.753 -1.485 0.000) 5.941 5.381 ( 7.604 1.516 0.000) 7.753 5.400 ( 13.273 -5.251 0.000) 14.274 5.683 ( 10.020 -8.552 0.000) 13.173 6.800 ( 0.681 3.294 0.000) 3.364 6.899 ( -4.234 -0.943 0.000) 4.338 7.198 ( -4.796 2.966 0.000) 5.639 7.236 ( 0.176 7.213 0.000) 7.215 7.323 ( -3.205 1.563 0.000) 3.566 7.341 ( -2.826 -0.149 0.000) 2.830 7.707 ( -1.888 -2.876 0.000) 3.441 7.735 ( -2.202 -5.429 0.000) 5.859 7.764 ( -3.157 -4.506 0.000) 5.502 7.889 ( -0.879 5.957 0.000) 6.021 7.999 ( -0.823 0.236 0.000) 0.857 8.153 ( -0.034 2.938 0.000) 2.939 8.443 ( 1.215 -0.808 0.000) 1.459 8.659 ( -0.241 13.175 0.000) 13.177 8.829 ( -3.765 -7.427 0.000) 8.327 8.906 ( -5.076 -2.322 0.000) 5.582 9.081 ( -0.498 -12.054 0.000) 12.064 9.258 ( -2.825 2.701 0.000) 3.909 9.505 ( 0.368 7.145 0.000) 7.154 10.041 ( 1.872 -4.344 0.000) 4.730 10.047 ( 2.619 0.913 0.000) 2.774 10.381 ( 2.255 -8.408 0.000) 8.705 10.567 ( -5.698 -7.951 0.000) 9.782 10.613 ( -5.035 -12.914 0.000) 13.861 10.646 ( 3.559 -1.069 0.000) 3.716 10.845 ( -3.661 0.753 0.000) 3.738 10.980 ( -0.804 -24.466 0.000) 24.479 11.011 ( -4.057 -4.751 0.000) 6.247 11.883 ( -0.234 9.951 0.000) 9.954 12.336 ( -6.827 14.129 0.000) 15.692 12.456 ( -3.005 -5.603 0.000) 6.358 13.220 ( 0.762 -11.164 0.000) 11.190 13.313 ( -2.633 21.005 0.000) 21.169 14.110 ( -5.013 19.594 0.000) 20.226 14.281 ( -2.675 -9.640 0.000) 10.004 15.046 ( -2.262 -8.815 0.000) 9.100 15.202 ( 0.137 0.984 0.000) 0.993 15.315 ( 2.617 -0.540 0.000) 2.672 15.883 ( -3.942 14.572 0.000) 15.096 16.438 ( -0.139 3.764 0.000) 3.767 16.518 ( 5.734 -1.981 0.000) 6.067 16.819 ( 6.023 -6.775 0.000) 9.065 17.103 ( -0.233 -2.761 0.000) 2.771 17.195 ( 7.534 -4.200 0.000) 8.625 24.504 ( 0.156 0.703 0.000) 0.720 24.636 ( -0.714 -2.419 0.000) 2.523 24.833 ( 0.363 5.522 0.000) 5.534 24.930 ( 1.060 -0.189 0.000) 1.077 25.006 ( 0.667 -2.154 0.000) 2.255 25.031 ( -0.437 -0.602 0.000) 0.743 25.634 ( -2.229 5.767 0.000) 6.183 25.786 ( -7.412 1.878 0.000) 7.646 27.125 ( -2.645 0.115 0.000) 2.648 27.307 ( -1.329 -5.793 0.000) 5.943 27.506 ( -3.396 -1.615 0.000) 3.761 27.615 ( -2.507 -3.900 0.000) 4.636 27.944 ( 1.566 9.167 0.000) 9.300 28.319 ( 4.098 0.284 0.000) 4.108 28.411 ( -2.830 8.740 0.000) 9.187 29.217 ( 4.025 -15.463 0.000) 15.979 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 6.585 0.000) 6.585 1.724 ( -0.000 5.284 0.000) 5.284 1.727 ( 0.000 8.598 0.000) 8.598 1.888 ( 0.000 -3.148 0.000) 3.148 2.024 ( 0.000 -0.526 0.000) 0.526 2.238 ( 0.000 5.132 0.000) 5.132 2.324 ( -0.000 4.302 0.000) 4.302 2.480 ( -0.000 4.114 0.000) 4.114 2.564 ( -0.000 18.562 0.000) 18.562 2.581 ( 0.000 9.002 0.000) 9.002 2.592 ( -0.000 9.450 0.000) 9.450 2.927 ( 0.000 6.158 0.000) 6.158 3.180 ( 0.000 -3.964 0.000) 3.964 3.281 ( -0.000 -6.354 0.000) 6.354 3.303 ( 0.000 -11.161 0.000) 11.161 3.516 ( 0.000 -2.851 0.000) 2.851 3.545 ( -0.000 -6.874 0.000) 6.874 3.579 ( 0.000 3.450 0.000) 3.450 3.720 ( 0.000 -3.746 0.000) 3.746 3.807 ( -0.000 -10.170 0.000) 10.170 3.926 ( 0.000 4.929 0.000) 4.929 4.027 ( 0.000 3.165 0.000) 3.165 4.064 ( 0.000 2.775 0.000) 2.775 4.102 ( 0.000 0.788 0.000) 0.788 4.242 ( 0.000 -0.532 0.000) 0.532 4.300 ( 0.000 0.075 0.000) 0.075 4.518 ( 0.000 0.757 0.000) 0.757 4.594 ( 0.000 -0.278 0.000) 0.278 4.879 ( 0.000 2.091 0.000) 2.091 4.924 ( 0.000 7.563 0.000) 7.563 5.000 ( 0.000 1.982 0.000) 1.982 5.003 ( -0.000 2.091 0.000) 2.091 5.205 ( -0.000 -0.010 0.000) 0.010 5.483 ( 0.000 4.240 0.000) 4.240 5.558 ( 0.000 -6.115 0.000) 6.115 5.800 ( 0.000 -7.233 0.000) 7.233 6.820 ( 0.000 0.613 0.000) 0.613 6.836 ( -0.000 0.716 0.000) 0.716 7.147 ( 0.000 0.703 0.000) 0.703 7.251 ( -0.000 8.783 0.000) 8.783 7.283 ( -0.000 2.272 0.000) 2.272 7.294 ( 0.000 -1.253 0.000) 1.253 7.687 ( 0.000 -3.187 0.000) 3.187 7.712 ( 0.000 -5.392 0.000) 5.392 7.733 ( -0.000 -6.019 0.000) 6.019 7.877 ( 0.000 6.233 0.000) 6.233 7.982 ( 0.000 0.175 0.000) 0.175 8.156 ( 0.000 0.942 0.000) 0.942 8.456 ( 0.000 -1.030 0.000) 1.030 8.661 ( 0.000 18.969 0.000) 18.969 8.780 ( -0.000 -12.595 0.000) 12.595 8.830 ( 0.000 -3.130 0.000) 3.130 9.076 ( 0.000 -11.312 0.000) 11.312 9.230 ( 0.000 6.828 0.000) 6.828 9.510 ( 0.000 7.106 0.000) 7.106 10.060 ( 0.000 -4.556 0.000) 4.556 10.077 ( 0.000 0.145 0.000) 0.145 10.405 ( 0.000 -1.470 0.000) 1.470 10.496 ( -0.000 1.064 0.000) 1.064 10.565 ( -0.000 -28.456 0.000) 28.456 10.739 ( -0.000 4.613 0.000) 4.613 10.744 ( 0.000 -6.402 0.000) 6.402 10.968 ( 0.000 -27.208 0.000) 27.208 10.978 ( 0.000 -0.462 0.000) 0.462 11.880 ( 0.000 9.370 0.000) 9.370 12.264 ( 0.000 13.894 0.000) 13.894 12.422 ( 0.000 -5.360 0.000) 5.360 13.228 ( 0.000 -13.420 0.000) 13.420 13.287 ( 0.000 21.309 0.000) 21.309 14.053 ( 0.000 20.625 0.000) 20.625 14.254 ( 0.000 -9.261 0.000) 9.261 15.025 ( -0.000 -9.130 0.000) 9.130 15.202 ( 0.000 1.000 0.000) 1.000 15.342 ( -0.000 -1.148 0.000) 1.148 15.838 ( -0.000 16.351 0.000) 16.351 16.437 ( 0.000 4.867 0.000) 4.867 16.576 ( 0.000 -1.444 0.000) 1.444 16.884 ( 0.000 -7.445 0.000) 7.445 17.101 ( 0.000 -2.120 0.000) 2.120 17.276 ( 0.000 -4.733 0.000) 4.733 24.506 ( -0.000 0.490 0.000) 0.490 24.628 ( 0.000 -2.341 0.000) 2.341 24.837 ( 0.000 5.205 0.000) 5.205 24.942 ( -0.000 -0.277 0.000) 0.277 25.013 ( 0.000 -1.933 0.000) 1.933 25.026 ( 0.000 -0.560 0.000) 0.560 25.649 ( 0.000 2.347 0.000) 2.347 25.667 ( -0.000 3.780 0.000) 3.780 27.097 ( 0.000 0.317 0.000) 0.317 27.293 ( 0.000 -6.030 0.000) 6.030 27.468 ( 0.000 -1.035 0.000) 1.035 27.588 ( 0.000 -3.631 0.000) 3.631 27.960 ( 0.000 9.579 0.000) 9.579 28.363 ( 0.000 -0.171 0.000) 0.171 28.379 ( 0.000 10.003 0.000) 10.003 29.258 ( 0.000 -15.970 0.000) 15.970 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 12.812 0.000) 12.812 1.630 ( 0.000 -4.549 0.000) 4.549 1.790 ( 0.000 23.331 0.000) 23.331 2.044 ( 0.000 5.293 0.000) 5.293 2.095 ( 0.000 -6.679 0.000) 6.679 2.272 ( 0.000 -13.899 0.000) 13.899 2.516 ( 0.000 9.208 0.000) 9.208 2.631 ( 0.000 0.429 0.000) 0.429 2.648 ( 0.000 21.324 0.000) 21.324 2.808 ( 0.000 13.897 0.000) 13.897 2.866 ( 0.000 2.692 0.000) 2.692 2.904 ( 0.000 -1.843 0.000) 1.843 2.919 ( 0.000 0.568 0.000) 0.568 3.019 ( 0.000 -3.743 0.000) 3.743 3.081 ( 0.000 -9.604 0.000) 9.604 3.090 ( 0.000 -9.074 0.000) 9.074 3.188 ( 0.000 2.952 0.000) 2.952 3.312 ( 0.000 -8.782 0.000) 8.782 3.397 ( 0.000 -2.228 0.000) 2.228 3.465 ( 0.000 -5.989 0.000) 5.989 3.563 ( 0.000 22.900 0.000) 22.900 3.747 ( 0.000 0.600 0.000) 0.600 3.761 ( 0.000 -0.708 0.000) 0.708 3.925 ( 0.000 3.357 0.000) 3.357 3.969 ( 0.000 -7.324 0.000) 7.324 4.099 ( 0.000 -19.466 0.000) 19.466 4.120 ( 0.000 2.817 0.000) 2.817 4.160 ( 0.000 -0.722 0.000) 0.722 4.259 ( 0.000 10.914 0.000) 10.914 4.471 ( 0.000 -9.213 0.000) 9.213 4.882 ( 0.000 6.130 0.000) 6.130 4.982 ( 0.000 -3.996 0.000) 3.996 4.990 ( 0.000 3.888 0.000) 3.888 5.068 ( 0.000 -3.127 0.000) 3.127 5.146 ( 0.000 1.830 0.000) 1.830 5.176 ( 0.000 -0.797 0.000) 0.797 7.044 ( 0.000 1.931 0.000) 1.931 7.060 ( 0.000 0.256 0.000) 0.256 7.247 ( 0.000 4.666 0.000) 4.666 7.340 ( 0.000 -4.339 0.000) 4.339 7.435 ( 0.000 3.065 0.000) 3.065 7.542 ( 0.000 -6.876 0.000) 6.876 7.881 ( 0.000 4.069 0.000) 4.069 7.918 ( 0.000 5.300 0.000) 5.300 7.950 ( 0.000 -1.758 0.000) 1.758 8.004 ( 0.000 -3.018 0.000) 3.018 8.143 ( 0.000 9.622 0.000) 9.622 8.373 ( 0.000 -12.416 0.000) 12.416 8.450 ( 0.000 4.549 0.000) 4.549 8.585 ( 0.000 -7.981 0.000) 7.981 8.675 ( 0.000 4.995 0.000) 4.995 8.822 ( 0.000 -9.453 0.000) 9.453 9.288 ( 0.000 22.953 0.000) 22.953 9.490 ( 0.000 16.034 0.000) 16.034 9.611 ( 0.000 4.048 0.000) 4.048 9.728 ( 0.000 -6.396 0.000) 6.396 9.778 ( 0.000 -23.085 0.000) 23.085 9.800 ( 0.000 -11.382 0.000) 11.382 10.643 ( 0.000 0.615 0.000) 0.615 10.683 ( 0.000 -3.092 0.000) 3.092 10.797 ( 0.000 2.223 0.000) 2.223 10.884 ( 0.000 -5.564 0.000) 5.564 10.974 ( 0.000 2.568 0.000) 2.568 11.116 ( 0.000 -9.346 0.000) 9.346 12.193 ( 0.000 13.989 0.000) 13.989 12.453 ( 0.000 -10.616 0.000) 10.616 13.160 ( 0.000 0.717 0.000) 0.717 13.168 ( 0.000 -0.184 0.000) 0.184 13.998 ( 0.000 17.614 0.000) 17.614 14.342 ( 0.000 -15.258 0.000) 15.258 14.842 ( 0.000 18.954 0.000) 18.954 15.051 ( 0.000 -0.101 0.000) 0.101 15.057 ( 0.000 -0.959 0.000) 0.959 15.194 ( 0.000 -14.420 0.000) 14.420 15.742 ( 0.000 5.837 0.000) 5.837 15.875 ( 0.000 -6.516 0.000) 6.516 16.383 ( 0.000 2.596 0.000) 2.596 16.438 ( 0.000 -2.516 0.000) 2.516 16.826 ( 0.000 9.138 0.000) 9.138 16.998 ( 0.000 -7.146 0.000) 7.146 24.550 ( 0.000 2.662 0.000) 2.662 24.612 ( 0.000 -3.062 0.000) 3.062 24.873 ( 0.000 0.481 0.000) 0.481 24.896 ( 0.000 -1.479 0.000) 1.479 24.944 ( 0.000 5.115 0.000) 5.115 25.023 ( 0.000 -2.544 0.000) 2.544 26.129 ( 0.000 7.772 0.000) 7.772 26.291 ( 0.000 -7.338 0.000) 7.338 27.350 ( 0.000 -1.007 0.000) 1.007 27.355 ( 0.000 -1.637 0.000) 1.637 27.649 ( 0.000 1.510 0.000) 1.510 27.707 ( 0.000 -3.873 0.000) 3.873 27.934 ( 0.000 6.206 0.000) 6.206 28.015 ( 0.000 -1.346 0.000) 1.346 28.542 ( 0.000 9.255 0.000) 9.255 28.723 ( 0.000 -8.440 0.000) 8.440 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 4.583 11.556 0.000) 12.432 1.664 ( 3.099 -4.180 0.000) 5.203 1.848 ( 2.605 16.231 0.000) 16.439 1.985 ( -6.083 -0.293 0.000) 6.090 2.086 ( 1.254 5.702 0.000) 5.838 2.338 ( 2.916 -13.309 0.000) 13.625 2.495 ( -0.767 6.639 0.000) 6.683 2.600 ( -2.197 0.335 0.000) 2.222 2.637 ( -0.045 21.086 0.000) 21.086 2.746 ( -2.647 10.898 0.000) 11.215 2.834 ( -3.228 -3.333 0.000) 4.640 2.947 ( 3.430 -6.484 0.000) 7.335 3.016 ( 5.680 2.124 0.000) 6.064 3.083 ( 5.403 0.412 0.000) 5.419 3.123 ( 1.400 -7.333 0.000) 7.465 3.195 ( 10.098 -5.999 0.000) 11.745 3.232 ( 4.287 1.104 0.000) 4.426 3.307 ( 1.144 -5.458 0.000) 5.576 3.437 ( 4.350 1.875 0.000) 4.737 3.574 ( 9.024 -7.841 0.000) 11.955 3.681 ( 9.066 17.729 0.000) 19.913 3.732 ( -0.320 1.449 0.000) 1.484 3.767 ( 1.569 -1.992 0.000) 2.535 3.968 ( 3.609 -3.725 0.000) 5.186 4.080 ( 10.490 0.686 0.000) 10.513 4.137 ( 1.923 3.745 0.000) 4.210 4.196 ( 2.799 -1.643 0.000) 3.246 4.267 ( 10.851 -10.510 0.000) 15.107 4.332 ( 9.762 6.130 0.000) 11.527 4.517 ( 4.713 -8.527 0.000) 9.743 4.853 ( -2.381 6.570 0.000) 6.988 4.970 ( -0.397 -4.318 0.000) 4.336 4.998 ( 0.618 3.084 0.000) 3.145 5.034 ( -2.194 0.746 0.000) 2.317 5.161 ( 1.677 0.921 0.000) 1.913 5.219 ( 3.299 -3.945 0.000) 5.142 6.980 ( -4.173 3.451 0.000) 5.415 7.027 ( -2.790 -1.025 0.000) 2.973 7.305 ( 3.481 2.928 0.000) 4.549 7.358 ( 0.866 -2.500 0.000) 2.646 7.428 ( -0.590 2.742 0.000) 2.804 7.514 ( -2.660 -4.619 0.000) 5.330 7.853 ( -2.152 4.817 0.000) 5.276 7.878 ( -5.084 3.444 0.000) 6.140 7.945 ( -5.625 -2.541 0.000) 6.173 7.945 ( -0.205 -2.783 0.000) 2.790 8.110 ( -2.602 7.166 0.000) 7.623 8.250 ( -5.836 -4.402 0.000) 7.310 8.442 ( -0.589 3.993 0.000) 4.036 8.578 ( -0.691 -8.791 0.000) 8.818 8.769 ( 4.986 -1.819 0.000) 5.308 8.853 ( 2.540 -8.023 0.000) 8.416 9.277 ( -1.005 23.350 0.000) 23.371 9.517 ( 1.914 16.273 0.000) 16.385 9.626 ( 1.371 6.481 0.000) 6.625 9.745 ( 1.559 -13.926 0.000) 14.013 9.817 ( 2.952 -17.829 0.000) 18.072 9.834 ( 2.957 -11.259 0.000) 11.640 10.601 ( -2.515 0.951 0.000) 2.689 10.672 ( -1.954 -6.996 0.000) 7.264 10.752 ( -4.081 2.090 0.000) 4.585 10.833 ( -4.745 -5.031 0.000) 6.916 10.962 ( -0.957 3.489 0.000) 3.618 11.092 ( -2.419 -8.167 0.000) 8.518 12.179 ( -1.285 13.452 0.000) 13.513 12.430 ( -2.111 -10.299 0.000) 10.513 13.043 ( -9.768 5.175 0.000) 11.055 13.129 ( -3.488 -3.051 0.000) 4.634 13.923 ( -6.087 17.252 0.000) 18.295 14.254 ( -6.796 -14.524 0.000) 16.035 14.744 ( -7.040 17.475 0.000) 18.839 15.074 ( -8.705 -14.042 0.000) 16.522 15.113 ( 5.065 0.458 0.000) 5.085 15.127 ( 4.995 -0.994 0.000) 5.093 15.928 ( 14.206 4.643 0.000) 14.946 16.027 ( 10.561 -4.502 0.000) 11.480 16.426 ( 3.492 1.099 0.000) 3.661 16.457 ( 2.234 -1.643 0.000) 2.773 16.855 ( 3.147 7.171 0.000) 7.832 17.003 ( 0.506 -6.549 0.000) 6.569 24.547 ( -0.315 2.593 0.000) 2.612 24.607 ( -0.420 -3.033 0.000) 3.062 24.884 ( 0.942 0.680 0.000) 1.162 24.910 ( 1.204 -1.708 0.000) 2.090 24.942 ( -0.111 4.973 0.000) 4.974 25.020 ( -0.288 -2.492 0.000) 2.509 26.062 ( -6.180 6.393 0.000) 8.892 26.176 ( -9.398 -3.813 0.000) 10.142 27.298 ( -4.019 0.009 0.000) 4.019 27.323 ( -2.892 -2.462 0.000) 3.798 27.628 ( -2.177 0.011 0.000) 2.177 27.668 ( -3.245 -3.540 0.000) 4.803 27.980 ( 3.798 6.468 0.000) 7.501 28.071 ( 4.733 -1.930 0.000) 5.111 28.589 ( 3.188 7.734 0.000) 8.365 28.755 ( 3.018 -8.149 0.000) 8.690 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 6.530 8.560 0.000) 10.766 1.744 ( 4.003 -2.829 0.000) 4.902 1.811 ( -6.023 5.856 0.000) 8.401 1.866 ( -3.059 1.356 0.000) 3.346 2.125 ( 0.774 8.467 0.000) 8.502 2.302 ( -4.006 -5.668 0.000) 6.941 2.480 ( -2.250 2.485 0.000) 3.352 2.585 ( 0.731 -0.924 0.000) 1.178 2.660 ( 2.299 19.967 0.000) 20.099 2.751 ( 2.610 10.818 0.000) 11.128 2.821 ( 1.895 -0.493 0.000) 1.958 2.981 ( 0.496 -9.739 0.000) 9.752 3.074 ( 0.001 -4.437 0.000) 4.437 3.149 ( 0.261 -10.067 0.000) 10.070 3.157 ( 0.944 5.562 0.000) 5.642 3.345 ( 5.989 2.139 0.000) 6.359 3.378 ( 5.506 -12.621 0.000) 13.770 3.395 ( 6.005 -2.359 0.000) 6.452 3.576 ( 5.865 5.205 0.000) 7.842 3.651 ( -0.388 -1.882 0.000) 1.921 3.817 ( 8.220 3.353 0.000) 8.877 3.870 ( 8.053 11.295 0.000) 13.872 3.932 ( 10.856 -6.676 0.000) 12.744 4.045 ( 3.383 -4.444 0.000) 5.585 4.214 ( 5.406 2.400 0.000) 5.914 4.252 ( 1.983 -1.143 0.000) 2.289 4.348 ( 12.082 6.201 0.000) 13.580 4.425 ( 6.491 1.027 0.000) 6.572 4.664 ( 15.174 -1.549 0.000) 15.252 4.717 ( 15.428 -6.388 0.000) 16.698 4.823 ( 1.489 10.148 0.000) 10.257 4.990 ( -0.590 3.620 0.000) 3.668 5.019 ( 6.361 -7.564 0.000) 9.883 5.026 ( 1.350 0.484 0.000) 1.434 5.233 ( 5.785 1.000 0.000) 5.871 5.314 ( 6.508 -6.464 0.000) 9.173 6.904 ( -2.923 3.656 0.000) 4.681 6.959 ( -3.506 -1.673 0.000) 3.885 7.334 ( -1.108 1.593 0.000) 1.940 7.360 ( -0.475 -1.176 0.000) 1.269 7.404 ( -2.406 1.826 0.000) 3.020 7.425 ( -5.790 1.100 0.000) 5.893 7.726 ( -6.914 -1.002 0.000) 6.986 7.776 ( -9.040 -4.978 0.000) 10.320 7.810 ( -1.675 6.879 0.000) 7.080 7.951 ( 0.617 -4.731 0.000) 4.771 8.072 ( -0.796 8.149 0.000) 8.188 8.199 ( -0.839 -2.464 0.000) 2.603 8.434 ( -0.040 2.849 0.000) 2.849 8.559 ( -0.943 -9.187 0.000) 9.235 8.827 ( 0.688 -3.110 0.000) 3.186 8.893 ( 0.441 -7.186 0.000) 7.199 9.246 ( -1.880 25.190 0.000) 25.260 9.546 ( 0.610 18.292 0.000) 18.302 9.660 ( 1.409 8.695 0.000) 8.808 9.787 ( 2.373 -21.175 0.000) 21.308 9.875 ( 2.200 -14.668 0.000) 14.832 9.904 ( 3.210 -11.940 0.000) 12.364 10.565 ( -0.906 -1.485 0.000) 1.740 10.613 ( -2.836 -9.239 0.000) 9.665 10.640 ( -6.059 1.954 0.000) 6.366 10.702 ( -7.092 -3.521 0.000) 7.918 10.935 ( -1.710 2.798 0.000) 3.279 11.018 ( -4.142 -5.171 0.000) 6.625 12.143 ( -1.932 12.132 0.000) 12.285 12.371 ( -3.182 -9.473 0.000) 9.993 12.821 ( -10.074 11.746 0.000) 15.474 13.038 ( -4.579 -9.145 0.000) 10.227 13.794 ( -5.274 17.207 0.000) 17.997 14.118 ( -5.373 -13.862 0.000) 14.867 14.601 ( -6.166 16.380 0.000) 17.502 14.909 ( -6.305 -13.010 0.000) 14.457 15.204 ( 2.804 1.104 0.000) 3.014 15.227 ( 4.109 -0.918 0.000) 4.211 16.150 ( 4.799 7.140 0.000) 8.603 16.258 ( 10.926 -3.626 0.000) 11.512 16.486 ( 2.603 2.728 0.000) 3.770 16.557 ( 6.125 -4.008 0.000) 7.320 16.967 ( 7.074 1.211 0.000) 7.177 17.025 ( 1.687 -3.960 0.000) 4.305 24.539 ( -0.399 2.353 0.000) 2.386 24.595 ( -0.661 -2.909 0.000) 2.984 24.910 ( 1.394 0.863 0.000) 1.639 24.939 ( 1.397 -1.874 0.000) 2.338 24.940 ( -0.149 4.600 0.000) 4.603 25.012 ( -0.438 -2.346 0.000) 2.387 25.891 ( -8.975 5.336 0.000) 10.441 25.968 ( -9.439 -1.678 0.000) 9.587 27.209 ( -3.989 1.083 0.000) 4.134 27.255 ( -3.150 -3.414 0.000) 4.645 27.561 ( -3.695 -0.211 0.000) 3.701 27.595 ( -3.366 -3.389 0.000) 4.777 28.067 ( 4.025 7.494 0.000) 8.506 28.183 ( 5.358 -3.315 0.000) 6.301 28.631 ( 0.714 8.986 0.000) 9.014 28.838 ( 4.136 -10.787 0.000) 11.553 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -3.427 6.444 0.000) 7.298 1.752 ( 4.927 5.255 0.000) 7.204 1.813 ( 2.176 -0.512 0.000) 2.236 1.815 ( -1.869 -3.610 0.000) 4.065 2.104 ( -1.912 5.458 0.000) 5.783 2.240 ( -1.738 -6.216 0.000) 6.454 2.437 ( -1.279 8.868 0.000) 8.959 2.595 ( 0.123 -0.350 0.000) 0.371 2.729 ( 3.933 15.896 0.000) 16.375 2.805 ( 1.722 10.444 0.000) 10.585 2.894 ( 4.601 -1.115 0.000) 4.734 2.972 ( -1.498 -2.725 0.000) 3.110 3.062 ( -0.682 -4.790 0.000) 4.838 3.122 ( -2.596 -10.623 0.000) 10.936 3.142 ( -1.512 5.991 0.000) 6.178 3.448 ( 1.553 -16.180 0.000) 16.254 3.449 ( 3.661 1.981 0.000) 4.162 3.493 ( 2.517 -1.841 0.000) 3.119 3.636 ( 1.010 2.008 0.000) 2.247 3.671 ( 2.557 -1.057 0.000) 2.767 3.977 ( 4.980 4.843 0.000) 6.946 4.008 ( 5.150 6.006 0.000) 7.912 4.068 ( 2.814 -3.226 0.000) 4.281 4.100 ( 1.446 -2.218 0.000) 2.648 4.262 ( -0.523 1.106 0.000) 1.223 4.294 ( 0.546 -2.011 0.000) 2.084 4.520 ( 3.904 1.677 0.000) 4.249 4.533 ( 4.266 0.580 0.000) 4.305 4.910 ( 4.045 1.749 0.000) 4.407 4.940 ( 5.462 -0.810 0.000) 5.522 4.977 ( 11.186 12.531 0.000) 16.798 5.032 ( 3.430 3.445 0.000) 4.861 5.095 ( 5.627 -2.197 0.000) 6.041 5.229 ( 11.273 -10.856 0.000) 15.650 5.420 ( 11.432 3.281 0.000) 11.894 5.527 ( 12.363 -6.505 0.000) 13.970 6.857 ( -1.535 2.092 0.000) 2.595 6.886 ( -3.117 -0.699 0.000) 3.194 7.271 ( -6.619 4.075 0.000) 7.773 7.299 ( -1.471 1.140 0.000) 1.861 7.334 ( -1.614 -1.797 0.000) 2.415 7.338 ( -4.192 -1.120 0.000) 4.339 7.632 ( -2.889 -3.851 0.000) 4.814 7.636 ( -3.203 -4.143 0.000) 5.237 7.781 ( -1.151 8.957 0.000) 9.031 7.952 ( -0.737 -5.482 0.000) 5.531 8.054 ( -1.135 7.987 0.000) 8.067 8.172 ( -1.846 -2.328 0.000) 2.971 8.438 ( 0.302 1.715 0.000) 1.742 8.545 ( -0.317 -8.861 0.000) 8.866 8.807 ( -2.238 -1.812 0.000) 2.880 8.875 ( -1.264 -7.364 0.000) 7.472 9.205 ( -1.775 27.800 0.000) 27.856 9.551 ( 0.141 20.381 0.000) 20.381 9.672 ( -0.157 6.468 0.000) 6.470 9.840 ( 2.408 -24.963 0.000) 25.079 9.903 ( 0.520 -12.202 0.000) 12.213 9.957 ( 1.712 -13.701 0.000) 13.807 10.525 ( -4.193 1.997 0.000) 4.644 10.547 ( -0.888 -5.892 0.000) 5.959 10.565 ( -5.211 -1.523 0.000) 5.429 10.584 ( 0.021 -7.401 0.000) 7.401 10.884 ( -2.851 2.947 0.000) 4.100 10.952 ( -1.668 -3.178 0.000) 3.590 12.106 ( -1.393 10.731 0.000) 10.821 12.309 ( -2.393 -8.518 0.000) 8.848 12.650 ( -5.748 15.232 0.000) 16.281 12.955 ( -2.984 -13.876 0.000) 14.193 13.716 ( -2.242 17.462 0.000) 17.605 14.039 ( -2.219 -13.575 0.000) 13.755 14.495 ( -3.726 17.113 0.000) 17.514 14.814 ( -2.861 -13.375 0.000) 13.678 15.236 ( 0.574 2.242 0.000) 2.314 15.286 ( 1.516 -2.190 0.000) 2.664 16.188 ( 0.082 13.751 0.000) 13.752 16.421 ( 4.486 -7.973 0.000) 9.148 16.538 ( 2.094 5.781 0.000) 6.149 16.673 ( 4.296 -6.972 0.000) 8.189 17.069 ( 2.122 0.134 0.000) 2.126 17.111 ( 5.542 -3.480 0.000) 6.544 24.532 ( -0.224 1.977 0.000) 1.990 24.582 ( -0.533 -2.673 0.000) 2.725 24.936 ( 0.971 0.811 0.000) 1.265 24.937 ( -0.101 4.188 0.000) 4.189 24.964 ( 0.877 -1.773 0.000) 1.978 25.003 ( -0.334 -2.171 0.000) 2.197 25.737 ( -4.877 4.020 0.000) 6.320 25.794 ( -6.671 -1.248 0.000) 6.786 27.142 ( -2.217 1.739 0.000) 2.818 27.202 ( -1.777 -4.060 0.000) 4.432 27.493 ( -2.432 0.659 0.000) 2.520 27.536 ( -2.090 -3.265 0.000) 3.876 28.136 ( 2.347 8.566 0.000) 8.882 28.276 ( 3.204 -4.538 0.000) 5.555 28.631 ( -0.395 12.070 0.000) 12.076 28.905 ( 2.094 -14.155 0.000) 14.309 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 6.533 0.000) 6.533 1.795 ( 0.000 -5.431 0.000) 5.431 1.814 ( -0.000 2.855 0.000) 2.855 1.829 ( 0.000 1.678 0.000) 1.678 2.080 ( 0.000 5.117 0.000) 5.117 2.222 ( -0.000 -7.957 0.000) 7.957 2.425 ( 0.000 11.843 0.000) 11.843 2.595 ( 0.000 0.095 0.000) 0.095 2.788 ( -0.000 10.515 0.000) 10.515 2.821 ( 0.000 10.497 0.000) 10.497 2.939 ( 0.000 7.107 0.000) 7.107 2.967 ( -0.000 -2.312 0.000) 2.312 3.060 ( -0.000 -8.226 0.000) 8.226 3.066 ( 0.000 -6.008 0.000) 6.008 3.124 ( -0.000 2.874 0.000) 2.874 3.460 ( 0.000 -17.809 0.000) 17.809 3.495 ( 0.000 0.566 0.000) 0.566 3.508 ( -0.000 -0.153 0.000) 0.153 3.650 ( 0.000 3.106 0.000) 3.106 3.706 ( 0.000 -2.417 0.000) 2.417 4.024 ( 0.000 4.291 0.000) 4.291 4.080 ( 0.000 1.903 0.000) 1.903 4.092 ( 0.000 -1.932 0.000) 1.932 4.100 ( -0.000 0.236 0.000) 0.236 4.254 ( 0.000 1.321 0.000) 1.321 4.285 ( 0.000 -1.365 0.000) 1.365 4.553 ( 0.000 1.960 0.000) 1.960 4.582 ( 0.000 -0.796 0.000) 0.796 4.933 ( 0.000 2.962 0.000) 2.962 4.992 ( 0.000 -2.198 0.000) 2.198 5.070 ( 0.000 4.237 0.000) 4.237 5.124 ( 0.000 11.319 0.000) 11.319 5.162 ( -0.000 -3.915 0.000) 3.915 5.369 ( 0.000 -11.318 0.000) 11.318 5.582 ( -0.000 4.994 0.000) 4.994 5.682 ( 0.000 -4.676 0.000) 4.676 6.841 ( 0.000 0.954 0.000) 0.954 6.848 ( -0.000 0.247 0.000) 0.247 7.194 ( 0.000 3.912 0.000) 3.912 7.283 ( -0.000 -2.984 0.000) 2.984 7.284 ( 0.000 0.446 0.000) 0.446 7.313 ( 0.000 -1.580 0.000) 1.580 7.599 ( -0.000 -3.599 0.000) 3.599 7.612 ( 0.000 -3.652 0.000) 3.652 7.767 ( 0.000 9.388 0.000) 9.388 7.938 ( 0.000 -5.197 0.000) 5.197 8.038 ( 0.000 7.470 0.000) 7.470 8.145 ( 0.000 -2.491 0.000) 2.491 8.442 ( 0.000 1.279 0.000) 1.279 8.543 ( 0.000 -8.841 0.000) 8.841 8.774 ( 0.000 0.099 0.000) 0.099 8.861 ( 0.000 -8.095 0.000) 8.095 9.184 ( 0.000 29.027 0.000) 29.027 9.553 ( 0.000 20.903 0.000) 20.903 9.667 ( 0.000 4.609 0.000) 4.609 9.870 ( 0.000 -27.761 0.000) 27.761 9.906 ( -0.000 -9.283 0.000) 9.283 9.975 ( 0.000 -14.603 0.000) 14.603 10.480 ( 0.000 1.938 0.000) 1.938 10.507 ( -0.000 -0.374 0.000) 0.374 10.538 ( 0.000 -7.231 0.000) 7.231 10.587 ( 0.000 -7.275 0.000) 7.275 10.849 ( 0.000 4.667 0.000) 4.667 10.937 ( 0.000 -3.399 0.000) 3.399 12.090 ( 0.000 10.099 0.000) 10.099 12.282 ( 0.000 -8.064 0.000) 8.064 12.589 ( 0.000 16.279 0.000) 16.279 12.923 ( 0.000 -15.587 0.000) 15.587 13.694 ( 0.000 17.568 0.000) 17.568 14.017 ( 0.000 -13.473 0.000) 13.473 14.454 ( 0.000 17.736 0.000) 17.736 14.785 ( 0.000 -13.859 0.000) 13.859 15.240 ( 0.000 2.594 0.000) 2.594 15.300 ( -0.000 -2.762 0.000) 2.762 16.185 ( 0.000 16.020 0.000) 16.020 16.464 ( 0.000 -9.843 0.000) 9.843 16.562 ( 0.000 6.983 0.000) 6.983 16.720 ( 0.000 -7.989 0.000) 7.989 17.094 ( 0.000 2.013 0.000) 2.013 17.172 ( 0.000 -4.844 0.000) 4.844 24.530 ( -0.000 1.764 0.000) 1.764 24.576 ( 0.000 -2.523 0.000) 2.523 24.936 ( 0.000 4.005 0.000) 4.005 24.947 ( 0.000 0.761 0.000) 0.761 24.973 ( 0.000 -1.714 0.000) 1.714 24.999 ( 0.000 -2.090 0.000) 2.090 25.695 ( 0.000 1.802 0.000) 1.802 25.712 ( -0.000 0.473 0.000) 0.473 27.119 ( 0.000 1.964 0.000) 1.964 27.183 ( 0.000 -4.283 0.000) 4.283 27.467 ( 0.000 1.063 0.000) 1.063 27.513 ( 0.000 -3.223 0.000) 3.223 28.161 ( 0.000 8.992 0.000) 8.992 28.311 ( 0.000 -4.999 0.000) 4.999 28.625 ( 0.000 13.351 0.000) 13.351 28.926 ( 0.000 -15.410 0.000) 15.410 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.000 0.000 27.605) 27.605 0.529 ( 0.000 0.000 27.526) 27.526 0.997 ( 0.000 0.000 48.490) 48.490 1.593 ( 0.000 0.000 -2.525) 2.525 1.677 ( 0.000 0.000 4.974) 4.974 1.807 ( 0.000 0.000 -8.386) 8.386 1.916 ( 0.000 0.000 -2.022) 2.022 2.042 ( 0.000 0.000 -10.573) 10.573 2.069 ( 0.000 0.000 -1.487) 1.487 2.634 ( 0.000 0.000 5.072) 5.072 2.887 ( 0.000 0.000 0.641) 0.641 2.895 ( 0.000 0.000 -1.179) 1.179 2.924 ( 0.000 0.000 -3.758) 3.758 3.089 ( 0.000 0.000 -4.550) 4.550 3.094 ( 0.000 0.000 -6.082) 6.082 3.292 ( 0.000 0.000 4.940) 4.940 3.373 ( 0.000 0.000 -14.020) 14.020 3.475 ( 0.000 0.000 6.494) 6.494 3.640 ( 0.000 0.000 13.519) 13.519 3.688 ( 0.000 0.000 -1.105) 1.105 3.753 ( 0.000 0.000 -4.830) 4.830 3.841 ( 0.000 0.000 -0.328) 0.328 3.877 ( 0.000 0.000 -0.534) 0.534 3.923 ( 0.000 0.000 -0.926) 0.926 4.024 ( 0.000 0.000 -3.635) 3.635 4.085 ( 0.000 0.000 4.215) 4.215 4.214 ( 0.000 0.000 2.850) 2.850 4.420 ( 0.000 0.000 -3.964) 3.964 4.708 ( 0.000 0.000 3.048) 3.048 4.818 ( 0.000 0.000 0.425) 0.425 4.859 ( 0.000 0.000 -1.665) 1.665 4.966 ( 0.000 0.000 -4.612) 4.612 5.038 ( 0.000 0.000 2.265) 2.265 5.072 ( 0.000 0.000 1.392) 1.392 5.114 ( 0.000 0.000 0.652) 0.652 5.233 ( 0.000 0.000 -5.643) 5.643 6.915 ( 0.000 0.000 2.299) 2.299 7.025 ( 0.000 0.000 8.189) 8.189 7.122 ( 0.000 0.000 -2.743) 2.743 7.125 ( 0.000 0.000 5.021) 5.021 7.447 ( 0.000 0.000 -3.898) 3.898 7.600 ( 0.000 0.000 -6.350) 6.350 7.707 ( 0.000 0.000 0.862) 0.862 7.773 ( 0.000 0.000 -0.061) 0.061 7.872 ( 0.000 0.000 1.734) 1.734 8.051 ( 0.000 0.000 -2.138) 2.138 8.132 ( 0.000 0.000 5.936) 5.936 8.386 ( 0.000 0.000 2.053) 2.053 8.487 ( 0.000 0.000 1.768) 1.768 8.488 ( 0.000 0.000 -3.523) 3.523 8.611 ( 0.000 0.000 2.075) 2.075 8.957 ( 0.000 0.000 -3.641) 3.641 9.002 ( 0.000 0.000 6.397) 6.397 9.546 ( 0.000 0.000 0.710) 0.710 9.585 ( 0.000 0.000 -3.193) 3.193 9.619 ( 0.000 0.000 -5.912) 5.912 10.019 ( 0.000 0.000 3.616) 3.616 10.541 ( 0.000 0.000 -9.837) 9.837 10.596 ( 0.000 0.000 0.449) 0.449 10.600 ( 0.000 0.000 0.165) 0.165 11.121 ( 0.000 0.000 2.795) 2.795 11.203 ( 0.000 0.000 5.771) 5.771 11.367 ( 0.000 0.000 -3.191) 3.191 11.540 ( 0.000 0.000 -3.145) 3.145 12.597 ( 0.000 0.000 -0.172) 0.172 12.607 ( 0.000 0.000 -0.514) 0.514 12.791 ( 0.000 0.000 3.162) 3.162 13.044 ( 0.000 0.000 -3.013) 3.013 13.146 ( 0.000 0.000 6.824) 6.824 13.648 ( 0.000 0.000 -5.587) 5.587 14.924 ( 0.000 0.000 4.990) 4.990 15.110 ( 0.000 0.000 5.418) 5.418 15.351 ( 0.000 0.000 -5.094) 5.094 15.663 ( 0.000 0.000 -10.347) 10.347 15.927 ( 0.000 0.000 0.394) 0.394 16.005 ( 0.000 0.000 -1.456) 1.456 16.340 ( 0.000 0.000 1.713) 1.713 16.416 ( 0.000 0.000 -0.193) 0.193 16.619 ( 0.000 0.000 10.093) 10.093 17.156 ( 0.000 0.000 -4.899) 4.899 24.518 ( 0.000 0.000 3.646) 3.646 24.736 ( 0.000 0.000 0.728) 0.728 24.855 ( 0.000 0.000 -6.060) 6.060 24.906 ( 0.000 0.000 -4.762) 4.762 25.170 ( 0.000 0.000 8.977) 8.977 25.270 ( 0.000 0.000 5.222) 5.222 25.479 ( 0.000 0.000 -1.198) 1.198 25.757 ( 0.000 0.000 -6.937) 6.937 27.562 ( 0.000 0.000 3.014) 3.014 27.686 ( 0.000 0.000 1.931) 1.931 27.749 ( 0.000 0.000 0.016) 0.016 27.841 ( 0.000 0.000 0.195) 0.195 27.858 ( 0.000 0.000 -4.742) 4.742 27.917 ( 0.000 0.000 -1.386) 1.386 28.460 ( 0.000 0.000 5.103) 5.103 28.787 ( 0.000 0.000 -3.422) 3.422 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 21.351 0.000 17.142) 27.381 0.841 ( 17.064 0.000 19.958) 26.258 1.384 ( 29.538 0.000 22.607) 37.196 1.513 ( -1.904 0.000 11.625) 11.780 1.712 ( -7.911 0.000 -6.507) 10.243 1.720 ( 4.809 0.000 4.982) 6.925 1.941 ( 1.494 0.000 -1.678) 2.247 2.055 ( 0.922 0.000 -6.385) 6.451 2.102 ( 4.406 0.000 -0.964) 4.511 2.742 ( 6.208 0.000 -1.447) 6.375 2.853 ( -0.640 0.000 1.407) 1.546 2.890 ( 2.726 0.000 -0.977) 2.896 3.001 ( -0.680 0.000 -8.423) 8.450 3.161 ( 5.555 0.000 -3.137) 6.380 3.179 ( 8.483 0.000 -4.733) 9.714 3.258 ( -1.098 0.000 6.019) 6.118 3.406 ( 5.804 0.000 -9.173) 10.855 3.603 ( 8.107 0.000 -1.165) 8.190 3.603 ( -2.604 0.000 9.339) 9.696 3.706 ( 2.599 0.000 -1.032) 2.797 3.769 ( -0.148 0.000 -1.471) 1.479 3.816 ( 0.796 0.000 -3.123) 3.223 3.873 ( 1.331 0.000 6.298) 6.437 4.015 ( 0.425 0.000 -2.283) 2.322 4.138 ( 6.322 0.000 2.635) 6.849 4.151 ( 13.995 0.000 0.702) 14.013 4.254 ( -18.960 0.000 18.684) 26.619 4.365 ( 12.243 0.000 1.625) 12.351 4.461 ( -3.692 0.000 3.944) 5.402 4.689 ( -1.799 0.000 0.835) 1.984 4.834 ( 1.137 0.000 0.815) 1.399 4.884 ( 0.748 0.000 -0.491) 0.895 4.986 ( 1.429 0.000 -3.744) 4.008 5.073 ( -2.597 0.000 -3.195) 4.117 5.139 ( -3.684 0.000 -0.905) 3.794 5.471 ( 9.149 0.000 -11.814) 14.942 6.810 ( -6.023 0.000 5.450) 8.123 7.036 ( 0.161 0.000 8.739) 8.740 7.099 ( -1.776 0.000 -3.229) 3.685 7.148 ( 0.905 0.000 3.735) 3.843 7.424 ( -2.303 0.000 -3.423) 4.125 7.611 ( 0.788 0.000 -6.459) 6.507 7.620 ( -5.221 0.000 8.108) 9.644 7.770 ( -0.122 0.000 -1.476) 1.481 7.907 ( -7.031 0.000 8.654) 11.150 7.925 ( 3.947 0.000 1.638) 4.273 8.063 ( 0.887 0.000 -1.664) 1.886 8.065 ( -5.112 0.000 2.481) 5.682 8.445 ( -5.921 0.000 6.826) 9.036 8.491 ( 7.915 0.000 7.237) 10.725 8.901 ( -4.496 0.000 -3.935) 5.975 8.966 ( 6.513 0.000 3.253) 7.280 9.470 ( 0.037 0.000 -6.670) 6.670 9.569 ( -1.949 0.000 -0.868) 2.133 9.673 ( 4.923 0.000 -7.760) 9.189 9.777 ( 22.928 0.000 -30.417) 38.090 10.033 ( 1.391 0.000 3.482) 3.749 10.541 ( -0.186 0.000 -7.932) 7.934 10.553 ( -3.111 0.000 -0.468) 3.147 10.575 ( -1.907 0.000 -0.320) 1.934 11.127 ( -7.096 0.000 5.417) 8.927 11.163 ( 3.651 0.000 3.681) 5.185 11.426 ( 4.727 0.000 -3.517) 5.892 11.458 ( -7.106 0.000 -3.470) 7.909 12.134 ( -21.131 0.000 18.982) 28.405 12.471 ( -9.489 0.000 -1.905) 9.678 12.824 ( -1.931 0.000 8.243) 8.466 13.030 ( -8.821 0.000 5.835) 10.576 13.180 ( 8.434 0.000 -2.803) 8.888 13.548 ( -5.143 0.000 -8.972) 10.342 14.856 ( -7.740 0.000 5.491) 9.490 15.135 ( 4.936 0.000 6.340) 8.035 15.303 ( -1.942 0.000 6.053) 6.357 15.475 ( -12.623 0.000 -6.608) 14.248 15.859 ( -6.274 0.000 0.311) 6.281 16.192 ( 6.745 0.000 -16.862) 18.161 16.503 ( 13.245 0.000 2.133) 13.415 16.625 ( 1.134 0.000 8.310) 8.387 16.674 ( 17.034 0.000 -1.393) 17.091 17.153 ( -0.263 0.000 -4.809) 4.816 24.519 ( 0.103 0.000 3.549) 3.551 24.732 ( -0.314 0.000 0.819) 0.877 24.795 ( -5.899 0.000 6.592) 8.846 24.853 ( -1.378 0.000 -6.449) 6.594 25.068 ( -3.200 0.000 8.688) 9.259 25.192 ( -0.664 0.000 9.790) 9.813 25.443 ( -2.728 0.000 -1.955) 3.356 25.770 ( 0.487 0.000 -6.716) 6.734 27.399 ( -8.501 0.000 1.891) 8.709 27.511 ( -6.489 0.000 1.070) 6.577 27.728 ( -2.492 0.000 -0.128) 2.495 27.799 ( -0.755 0.000 -1.306) 1.508 27.914 ( 11.049 0.000 5.230) 12.224 27.954 ( -3.539 0.000 8.694) 9.387 28.675 ( -9.714 0.000 -2.596) 10.055 29.073 ( 22.279 0.000 -28.467) 36.149 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 12.294 0.000 9.785) 15.712 1.274 ( 19.643 0.000 7.616) 21.068 1.504 ( 3.213 0.000 13.102) 13.491 1.553 ( -3.740 0.000 -1.789) 4.145 1.776 ( 8.140 0.000 0.318) 8.147 1.962 ( 0.439 0.000 -1.550) 1.611 1.995 ( 13.825 0.000 4.193) 14.447 2.084 ( 2.050 0.000 -1.854) 2.764 2.254 ( 8.421 0.000 6.528) 10.655 2.612 ( -9.547 0.000 1.801) 9.716 2.924 ( -6.241 0.000 -4.080) 7.457 3.024 ( 9.479 0.000 3.942) 10.266 3.037 ( 2.243 0.000 -10.050) 10.297 3.142 ( -2.786 0.000 0.146) 2.789 3.255 ( 6.865 0.000 0.199) 6.868 3.504 ( 16.066 0.000 -1.946) 16.183 3.561 ( -0.824 0.000 5.880) 5.938 3.600 ( 9.789 0.000 3.371) 10.353 3.703 ( 1.555 0.000 -5.560) 5.773 3.747 ( -0.119 0.000 -0.852) 0.860 3.849 ( -0.399 0.000 1.460) 1.514 3.875 ( 11.101 0.000 -5.751) 12.502 3.890 ( 2.097 0.000 7.751) 8.030 4.049 ( -2.376 0.000 6.462) 6.885 4.067 ( 6.937 0.000 -3.017) 7.565 4.344 ( 11.919 0.000 4.287) 12.667 4.407 ( 8.709 0.000 3.027) 9.220 4.448 ( 0.665 0.000 4.029) 4.083 4.540 ( -3.918 0.000 -0.947) 4.031 4.662 ( 2.669 0.000 -3.021) 4.031 4.848 ( 0.900 0.000 0.053) 0.901 4.908 ( 1.417 0.000 -0.853) 1.654 5.075 ( 9.086 0.000 -4.846) 10.297 5.079 ( 7.978 0.000 -4.829) 9.326 5.170 ( 3.965 0.000 3.474) 5.272 5.646 ( 8.798 0.000 -11.418) 14.414 6.730 ( -1.188 0.000 5.651) 5.775 7.028 ( -0.675 0.000 9.086) 9.111 7.069 ( -0.713 0.000 -3.744) 3.811 7.129 ( -3.019 0.000 2.794) 4.113 7.351 ( -4.504 0.000 -2.901) 5.357 7.536 ( -3.455 0.000 7.777) 8.510 7.623 ( 0.223 0.000 -6.813) 6.816 7.768 ( 0.041 0.000 -2.119) 2.120 7.843 ( -1.206 0.000 2.256) 2.558 7.947 ( -4.970 0.000 0.172) 4.972 7.999 ( 1.799 0.000 1.064) 2.090 8.084 ( 0.877 0.000 -1.109) 1.414 8.334 ( -4.048 0.000 6.645) 7.781 8.647 ( 5.976 0.000 10.097) 11.733 8.803 ( -4.230 0.000 -4.369) 6.082 9.094 ( 5.548 0.000 4.636) 7.230 9.408 ( -3.892 0.000 -2.397) 4.571 9.502 ( -4.579 0.000 0.290) 4.589 9.798 ( 6.440 0.000 -8.508) 10.671 9.907 ( -6.525 0.000 -17.317) 18.505 10.057 ( 0.492 0.000 3.993) 4.023 10.453 ( -4.440 0.000 1.505) 4.688 10.549 ( -0.390 0.000 -2.785) 2.813 10.581 ( 2.670 0.000 -8.537) 8.945 10.921 ( -11.825 0.000 4.750) 12.744 11.220 ( -4.087 0.000 -1.607) 4.391 11.310 ( -0.772 0.000 1.954) 2.101 11.521 ( 3.486 0.000 -2.975) 4.583 11.882 ( -4.713 0.000 11.169) 12.123 12.298 ( -6.056 0.000 -3.812) 7.156 12.752 ( -4.139 0.000 9.383) 10.255 12.815 ( -10.032 0.000 6.623) 12.021 13.342 ( 6.158 0.000 -5.576) 8.307 13.432 ( -6.191 0.000 -9.487) 11.328 14.672 ( -8.074 0.000 5.479) 9.757 15.240 ( -7.911 0.000 -9.573) 12.419 15.274 ( -1.837 0.000 8.067) 8.274 15.281 ( 7.400 0.000 8.602) 11.347 15.689 ( -9.048 0.000 0.533) 9.064 16.283 ( 2.674 0.000 -12.683) 12.962 16.613 ( -0.984 0.000 9.530) 9.581 16.798 ( 13.237 0.000 2.767) 13.523 17.031 ( 14.920 0.000 -2.997) 15.218 17.142 ( -0.767 0.000 -4.772) 4.833 24.522 ( 0.203 0.000 3.162) 3.168 24.724 ( -0.407 0.000 1.402) 1.460 24.735 ( -0.332 0.000 7.047) 7.054 24.834 ( -0.611 0.000 -6.344) 6.373 25.048 ( -0.076 0.000 1.862) 1.863 25.182 ( -0.408 0.000 9.342) 9.351 25.395 ( -1.286 0.000 -3.060) 3.319 25.749 ( -2.900 0.000 -6.659) 7.263 27.250 ( -5.659 0.000 2.106) 6.038 27.449 ( -1.158 0.000 -3.301) 3.499 27.644 ( -5.186 0.000 -0.786) 5.245 27.746 ( -3.290 0.000 -1.644) 3.678 27.877 ( -3.062 0.000 9.378) 9.866 28.143 ( 8.884 0.000 4.822) 10.108 28.447 ( -9.895 0.000 1.340) 9.985 29.364 ( 8.679 0.000 -20.146) 21.936 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 3.007 0.000 2.014) 3.619 1.377 ( -1.733 0.000 -0.656) 1.853 1.621 ( 6.063 0.000 12.939) 14.289 1.789 ( 16.262 0.000 4.783) 16.950 1.969 ( 0.439 0.000 0.102) 0.451 1.978 ( 11.606 0.000 0.828) 11.635 2.139 ( 3.024 0.000 -1.988) 3.618 2.160 ( 4.143 0.000 -2.275) 4.726 2.339 ( -0.422 0.000 5.849) 5.864 2.451 ( -3.971 0.000 2.980) 4.965 2.717 ( -11.409 0.000 7.765) 13.801 2.869 ( -13.884 0.000 -2.753) 14.154 3.137 ( 1.341 0.000 -7.654) 7.771 3.227 ( 6.860 0.000 3.716) 7.802 3.441 ( 8.080 0.000 -8.045) 11.402 3.551 ( 0.095 0.000 5.940) 5.940 3.678 ( -1.751 0.000 -1.472) 2.288 3.756 ( 3.667 0.000 -0.124) 3.669 3.774 ( 1.582 0.000 -0.445) 1.643 3.785 ( 5.834 0.000 -2.069) 6.190 3.827 ( -0.330 0.000 9.894) 9.900 3.996 ( 7.920 0.000 -0.652) 7.946 4.001 ( 3.342 0.000 -0.520) 3.382 4.046 ( 1.423 0.000 0.684) 1.579 4.294 ( 0.446 0.000 -7.126) 7.140 4.419 ( 2.553 0.000 -5.915) 6.442 4.441 ( -1.967 0.000 7.111) 7.378 4.572 ( 8.706 0.000 6.867) 11.088 4.626 ( 14.803 0.000 6.406) 16.130 4.718 ( 3.175 0.000 -2.181) 3.852 4.868 ( 0.421 0.000 0.397) 0.578 4.937 ( 1.131 0.000 -1.188) 1.640 5.188 ( 1.439 0.000 1.390) 2.001 5.257 ( 6.701 0.000 -5.334) 8.565 5.412 ( 13.489 0.000 -3.441) 13.921 5.839 ( 8.254 0.000 -12.023) 14.584 6.761 ( 3.842 0.000 5.252) 6.507 7.002 ( -3.641 0.000 6.422) 7.382 7.042 ( -2.966 0.000 4.876) 5.707 7.079 ( 1.746 0.000 -3.479) 3.893 7.244 ( -5.283 0.000 -2.855) 6.005 7.469 ( -2.646 0.000 7.690) 8.133 7.620 ( -0.404 0.000 -7.300) 7.311 7.778 ( 1.043 0.000 -2.141) 2.382 7.840 ( 1.083 0.000 0.528) 1.205 7.862 ( -2.753 0.000 -0.434) 2.787 8.002 ( -1.423 0.000 1.640) 2.171 8.092 ( -0.208 0.000 -0.978) 1.000 8.277 ( -1.663 0.000 5.967) 6.194 8.711 ( -1.297 0.000 0.472) 1.380 8.756 ( 1.502 0.000 3.440) 3.753 9.193 ( 3.720 0.000 5.798) 6.888 9.344 ( -1.411 0.000 -1.849) 2.326 9.382 ( -6.021 0.000 1.112) 6.123 9.652 ( -14.417 0.000 -9.067) 17.031 9.927 ( 5.371 0.000 -10.408) 11.712 10.069 ( 0.470 0.000 5.047) 5.069 10.392 ( -1.158 0.000 2.547) 2.798 10.545 ( -0.135 0.000 -3.025) 3.028 10.635 ( 1.957 0.000 -8.260) 8.489 10.673 ( -10.434 0.000 4.325) 11.295 11.050 ( -7.304 0.000 -4.558) 8.609 11.389 ( 3.974 0.000 3.781) 5.485 11.562 ( 0.653 0.000 -1.344) 1.494 11.853 ( 0.440 0.000 5.397) 5.415 12.222 ( -1.581 0.000 -4.819) 5.072 12.649 ( -5.311 0.000 7.671) 9.330 12.674 ( -2.829 0.000 10.109) 10.497 13.304 ( -5.248 0.000 -8.614) 10.086 13.429 ( 2.255 0.000 -8.600) 8.891 14.544 ( -3.949 0.000 5.494) 6.766 15.126 ( -2.969 0.000 -9.939) 10.373 15.247 ( -0.982 0.000 4.855) 4.954 15.406 ( 3.699 0.000 7.420) 8.291 15.520 ( -5.778 0.000 3.837) 6.936 16.316 ( 0.651 0.000 -7.610) 7.638 16.598 ( -0.349 0.000 7.564) 7.572 17.020 ( 7.399 0.000 3.104) 8.024 17.125 ( -0.772 0.000 -4.875) 4.935 17.275 ( 7.982 0.000 -3.065) 8.550 24.527 ( 0.184 0.000 2.472) 2.478 24.717 ( -0.298 0.000 2.512) 2.529 24.748 ( 0.993 0.000 6.215) 6.294 24.826 ( -0.152 0.000 -7.168) 7.169 25.047 ( -0.102 0.000 -0.522) 0.532 25.175 ( -0.284 0.000 9.147) 9.151 25.402 ( 2.029 0.000 -4.520) 4.955 25.651 ( -5.825 0.000 -5.681) 8.136 27.160 ( -2.900 0.000 2.690) 3.955 27.435 ( -0.419 0.000 -5.234) 5.251 27.538 ( -4.119 0.000 0.425) 4.141 27.680 ( -2.558 0.000 -2.038) 3.271 27.833 ( -1.250 0.000 8.137) 8.233 28.191 ( -3.640 0.000 -3.117) 4.792 28.380 ( 3.045 0.000 11.940) 12.322 29.492 ( 3.854 0.000 -16.291) 16.741 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 0.000 1.523) 1.523 1.361 ( 0.000 0.000 -0.172) 0.172 1.690 ( 0.000 0.000 10.577) 10.577 1.962 ( 0.000 0.000 2.069) 2.069 1.978 ( 0.000 0.000 2.437) 2.437 2.183 ( 0.000 0.000 -1.786) 1.786 2.201 ( 0.000 0.000 -2.789) 2.789 2.210 ( -0.000 0.000 -3.883) 3.883 2.253 ( 0.000 0.000 5.244) 5.244 2.543 ( -0.000 0.000 -2.484) 2.484 2.563 ( 0.000 0.000 16.193) 16.193 2.565 ( 0.000 0.000 4.808) 4.808 3.156 ( 0.000 0.000 -8.277) 8.277 3.296 ( 0.000 0.000 0.978) 0.978 3.551 ( 0.000 0.000 -9.435) 9.435 3.553 ( 0.000 0.000 6.512) 6.512 3.634 ( 0.000 0.000 -4.073) 4.073 3.792 ( 0.000 0.000 0.108) 0.108 3.793 ( -0.000 0.000 0.620) 0.620 3.821 ( -0.000 0.000 -4.259) 4.259 3.826 ( 0.000 0.000 8.111) 8.111 4.042 ( 0.000 0.000 1.133) 1.133 4.054 ( 0.000 0.000 0.205) 0.205 4.132 ( 0.000 0.000 2.451) 2.451 4.218 ( 0.000 0.000 -4.722) 4.722 4.403 ( 0.000 0.000 6.786) 6.786 4.486 ( 0.000 0.000 -5.000) 5.000 4.698 ( 0.000 0.000 9.328) 9.328 4.750 ( 0.000 0.000 -4.025) 4.025 4.838 ( 0.000 0.000 4.132) 4.132 4.877 ( 0.000 0.000 2.351) 2.351 4.949 ( 0.000 0.000 -1.334) 1.334 5.197 ( 0.000 0.000 1.228) 1.228 5.327 ( 0.000 0.000 -6.249) 6.249 5.561 ( 0.000 0.000 -4.704) 4.704 5.933 ( 0.000 0.000 -12.123) 12.123 6.864 ( -0.000 0.000 4.496) 4.496 6.884 ( 0.000 0.000 4.254) 4.254 7.026 ( 0.000 0.000 7.187) 7.187 7.132 ( 0.000 0.000 -2.552) 2.552 7.152 ( -0.000 0.000 -3.547) 3.547 7.439 ( 0.000 0.000 8.095) 8.095 7.614 ( 0.000 0.000 -7.605) 7.605 7.805 ( 0.000 0.000 -4.104) 4.104 7.826 ( 0.000 0.000 1.310) 1.310 7.866 ( 0.000 0.000 -0.131) 0.131 7.975 ( 0.000 0.000 2.641) 2.641 8.084 ( 0.000 0.000 -0.825) 0.825 8.258 ( 0.000 0.000 5.361) 5.361 8.686 ( 0.000 0.000 -3.931) 3.931 8.783 ( 0.000 0.000 6.344) 6.344 9.238 ( 0.000 0.000 7.744) 7.744 9.306 ( 0.000 0.000 1.213) 1.213 9.368 ( 0.000 0.000 -0.394) 0.394 9.433 ( 0.000 0.000 -9.443) 9.443 9.992 ( 0.000 0.000 -11.466) 11.466 10.074 ( 0.000 0.000 5.126) 5.126 10.388 ( 0.000 0.000 2.469) 2.469 10.544 ( 0.000 0.000 -2.789) 2.789 10.547 ( -0.000 0.000 4.992) 4.992 10.655 ( 0.000 0.000 -8.254) 8.254 10.969 ( 0.000 0.000 -4.539) 4.539 11.434 ( 0.000 0.000 2.910) 2.910 11.565 ( 0.000 0.000 -0.474) 0.474 11.862 ( 0.000 0.000 4.133) 4.133 12.209 ( 0.000 0.000 -5.022) 5.022 12.594 ( 0.000 0.000 8.252) 8.252 12.643 ( 0.000 0.000 10.951) 10.951 13.244 ( 0.000 0.000 -8.716) 8.716 13.450 ( 0.000 0.000 -10.129) 10.129 14.504 ( 0.000 0.000 5.552) 5.552 15.098 ( 0.000 0.000 -10.350) 10.350 15.236 ( 0.000 0.000 3.781) 3.781 15.418 ( 0.000 0.000 -1.212) 1.212 15.483 ( 0.000 0.000 13.349) 13.349 16.320 ( 0.000 0.000 -5.228) 5.228 16.596 ( 0.000 0.000 6.230) 6.230 17.099 ( 0.000 0.000 3.274) 3.274 17.116 ( 0.000 0.000 -5.016) 5.016 17.359 ( 0.000 0.000 -3.109) 3.109 24.529 ( 0.000 0.000 2.066) 2.066 24.713 ( 0.000 0.000 3.128) 3.128 24.760 ( 0.000 0.000 6.499) 6.499 24.825 ( 0.000 0.000 -8.036) 8.036 25.045 ( 0.000 0.000 -1.224) 1.224 25.172 ( 0.000 0.000 9.099) 9.099 25.451 ( 0.000 0.000 -6.921) 6.921 25.558 ( 0.000 0.000 -3.240) 3.240 27.129 ( 0.000 0.000 2.900) 2.900 27.430 ( 0.000 0.000 -6.556) 6.556 27.493 ( 0.000 0.000 1.772) 1.772 27.652 ( 0.000 0.000 -2.182) 2.182 27.820 ( 0.000 0.000 7.545) 7.545 28.143 ( 0.000 0.000 -2.378) 2.378 28.422 ( 0.000 0.000 12.087) 12.087 29.532 ( 0.000 0.000 -15.341) 15.341 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 22.764 17.077) 28.457 0.916 ( 0.000 19.033 23.593) 30.313 1.368 ( 0.000 33.084 19.647) 38.478 1.682 ( 0.000 0.368 3.903) 3.921 1.725 ( 0.000 19.135 7.622) 20.597 1.853 ( 0.000 3.633 -6.110) 7.109 2.066 ( 0.000 3.012 -12.294) 12.657 2.089 ( 0.000 7.567 -9.994) 12.535 2.182 ( 0.000 10.620 0.754) 10.647 2.668 ( 0.000 3.119 3.895) 4.990 2.836 ( 0.000 -1.730 -0.951) 1.974 2.906 ( 0.000 -2.552 -0.698) 2.646 2.919 ( 0.000 -0.527 -3.410) 3.450 3.033 ( 0.000 -1.879 -6.360) 6.632 3.124 ( 0.000 -0.269 -6.295) 6.301 3.276 ( 0.000 -1.526 5.074) 5.298 3.384 ( 0.000 -0.285 -2.340) 2.357 3.441 ( 0.000 -3.251 7.002) 7.720 3.680 ( 0.000 5.013 5.514) 7.452 3.690 ( 0.000 -6.924 -5.239) 8.683 3.723 ( 0.000 2.310 -0.671) 2.405 3.773 ( 0.000 -5.828 -1.329) 5.977 3.846 ( 0.000 -1.837 3.420) 3.882 3.880 ( 0.000 -3.599 -1.445) 3.878 4.010 ( 0.000 -0.272 -2.375) 2.391 4.096 ( 0.000 0.174 2.849) 2.854 4.173 ( 0.000 -6.824 8.241) 10.700 4.276 ( 0.000 -16.012 21.787) 27.039 4.486 ( 0.000 5.223 -6.060) 8.001 4.666 ( 0.000 -3.776 2.917) 4.771 4.857 ( 0.000 -8.428 -2.883) 8.908 4.876 ( 0.000 0.071 -1.687) 1.688 5.071 ( 0.000 0.856 -1.487) 1.716 5.113 ( 0.000 1.967 1.202) 2.305 5.140 ( 0.000 2.130 0.721) 2.249 5.156 ( 0.000 -5.859 -5.183) 7.823 6.955 ( 0.000 5.768 7.061) 9.117 7.057 ( 0.000 2.527 7.801) 8.200 7.129 ( 0.000 0.974 4.332) 4.440 7.389 ( 0.000 8.875 -6.231) 10.844 7.440 ( 0.000 -1.598 -2.405) 2.888 7.599 ( 0.000 2.804 -6.259) 6.858 7.792 ( 0.000 1.756 0.368) 1.794 7.803 ( 0.000 6.615 -0.575) 6.640 7.850 ( 0.000 -3.448 1.970) 3.971 8.000 ( 0.000 -4.948 9.535) 10.742 8.041 ( 0.000 -1.127 -2.654) 2.883 8.390 ( 0.000 0.477 2.043) 2.097 8.534 ( 0.000 2.943 -1.924) 3.516 8.541 ( 0.000 -0.031 -14.951) 14.951 8.652 ( 0.000 5.911 5.170) 7.853 8.934 ( 0.000 -4.774 7.315) 8.735 9.007 ( 0.000 4.912 -3.466) 6.011 9.407 ( 0.000 -13.208 -1.713) 13.319 9.587 ( 0.000 -0.790 -0.373) 0.873 9.744 ( 0.000 6.367 -10.588) 12.355 9.987 ( 0.000 -3.008 3.832) 4.872 10.536 ( 0.000 -0.456 -10.250) 10.260 10.538 ( 0.000 -7.380 2.152) 7.688 10.607 ( 0.000 1.981 -2.082) 2.874 11.007 ( 0.000 -8.360 3.831) 9.196 11.166 ( 0.000 -3.487 5.657) 6.645 11.296 ( 0.000 -7.864 -3.954) 8.802 11.473 ( 0.000 -6.062 -2.714) 6.642 12.043 ( 0.000 -11.111 22.073) 24.712 12.764 ( 0.000 -2.619 3.629) 4.475 12.932 ( 0.000 4.248 -18.155) 18.646 13.060 ( 0.000 1.280 -3.556) 3.779 13.414 ( 0.000 15.606 7.037) 17.119 13.892 ( 0.000 20.254 -7.111) 21.466 14.866 ( 0.000 -5.789 5.331) 7.870 15.099 ( 0.000 -0.775 4.510) 4.576 15.370 ( 0.000 1.248 -5.131) 5.280 15.469 ( 0.000 -18.465 19.533) 26.879 15.631 ( 0.000 -2.638 -9.245) 9.614 16.019 ( 0.000 -3.507 -6.139) 7.070 16.352 ( 0.000 0.754 2.643) 2.748 16.470 ( 0.000 5.029 -0.753) 5.085 16.608 ( 0.000 -1.087 9.673) 9.734 17.136 ( 0.000 -1.909 -4.898) 5.257 24.520 ( 0.000 0.296 3.462) 3.474 24.722 ( 0.000 -0.981 1.415) 1.722 24.798 ( 0.000 -2.805 3.896) 4.801 24.839 ( 0.000 -1.314 -5.761) 5.909 25.067 ( 0.000 -1.219 13.723) 13.777 25.171 ( 0.000 0.130 9.320) 9.321 25.795 ( 0.000 3.456 -7.473) 8.234 26.036 ( 0.000 17.466 -26.773) 31.967 27.540 ( 0.000 -2.710 3.766) 4.639 27.562 ( 0.000 -6.581 2.047) 6.892 27.706 ( 0.000 -5.107 -1.920) 5.456 27.801 ( 0.000 -4.365 -1.164) 4.517 27.903 ( 0.000 6.936 2.709) 7.446 28.035 ( 0.000 -11.654 23.338) 26.086 28.084 ( 0.000 10.390 -1.955) 10.573 28.921 ( 0.000 -1.758 -12.447) 12.570 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 11.770 13.936 15.366) 23.851 1.081 ( 14.700 18.481 15.280) 28.127 1.599 ( 11.645 17.907 5.745) 22.119 1.676 ( 1.711 9.866 4.782) 11.097 1.746 ( 2.107 6.196 1.865) 6.805 1.879 ( 2.808 16.449 5.023) 17.427 1.941 ( -1.492 -0.119 -3.006) 3.358 2.149 ( 0.447 8.600 -3.119) 9.159 2.245 ( 5.761 10.110 -4.089) 12.334 2.771 ( 0.898 2.645 -0.416) 2.824 2.816 ( 6.295 0.465 -2.688) 6.861 2.861 ( 0.755 -4.416 1.695) 4.790 2.993 ( 0.451 -1.232 -6.869) 6.993 3.127 ( 8.957 -2.211 -3.939) 10.031 3.192 ( 3.528 0.093 -2.670) 4.426 3.257 ( 1.393 0.153 4.072) 4.306 3.439 ( 5.866 0.636 -1.078) 5.999 3.503 ( 2.494 -5.843 7.149) 9.564 3.668 ( -1.679 -4.477 -0.968) 4.878 3.683 ( -0.599 1.222 -3.406) 3.667 3.709 ( 4.035 0.642 -0.985) 4.203 3.798 ( -0.528 -2.668 -1.132) 2.946 3.900 ( 6.148 2.528 5.469) 8.608 3.971 ( 2.389 -8.205 2.108) 8.802 4.039 ( 6.615 -0.632 1.162) 6.746 4.121 ( -4.497 -6.450 15.754) 17.607 4.215 ( 9.773 0.989 0.629) 9.843 4.288 ( 4.686 -3.770 3.823) 7.127 4.535 ( 4.787 4.920 -3.323) 7.627 4.673 ( -0.166 -2.264 1.117) 2.530 4.848 ( 0.017 -4.620 -1.848) 4.976 4.885 ( -0.160 1.129 -2.156) 2.439 4.936 ( -0.434 -0.249 0.347) 0.609 5.061 ( -4.980 -1.906 -5.022) 7.325 5.149 ( 1.441 1.383 1.640) 2.584 5.378 ( 10.303 -5.433 -5.859) 13.038 6.853 ( -6.059 4.374 6.397) 9.837 7.069 ( -0.136 1.944 7.775) 8.015 7.164 ( 1.143 2.861 3.634) 4.765 7.293 ( -7.382 10.496 -6.622) 14.440 7.424 ( -1.770 -0.976 -2.356) 3.104 7.568 ( -3.400 -0.947 2.121) 4.118 7.707 ( -3.332 5.219 -0.851) 6.250 7.785 ( -0.608 1.448 -1.908) 2.472 7.908 ( 2.770 -1.269 1.929) 3.606 7.950 ( -2.431 1.929 4.327) 5.325 8.030 ( -2.309 -1.622 -0.725) 2.913 8.105 ( -6.552 3.563 -0.119) 7.459 8.454 ( 3.368 -1.318 5.211) 6.343 8.552 ( -2.925 8.624 6.250) 11.045 8.903 ( 1.371 -1.343 -3.607) 4.086 8.961 ( 2.547 0.381 1.891) 3.195 9.284 ( 8.981 -11.867 -9.050) 17.418 9.484 ( 9.216 -17.499 -5.797) 20.610 9.551 ( -3.160 -1.781 -0.013) 3.627 9.796 ( 4.331 3.356 -12.043) 13.231 10.013 ( 2.251 -1.873 4.095) 5.035 10.482 ( -1.359 -3.543 -3.650) 5.265 10.540 ( -1.494 -1.181 -1.804) 2.622 10.655 ( 2.554 3.372 -5.714) 7.109 11.027 ( 1.801 -11.094 3.956) 11.915 11.094 ( -6.624 -3.148 5.435) 9.128 11.328 ( 2.367 -10.392 -4.628) 11.619 11.403 ( -5.956 -5.291 -2.888) 8.474 11.970 ( -5.635 -5.141 17.948) 19.501 12.592 ( -16.933 6.794 -7.242) 19.630 12.797 ( -4.263 -2.062 5.422) 7.199 13.139 ( 5.260 -0.731 -3.747) 6.499 13.252 ( -10.340 16.309 7.908) 20.867 13.831 ( -4.268 20.162 -9.917) 22.871 14.785 ( -7.984 -6.647 6.042) 12.018 15.141 ( 5.066 0.235 5.589) 7.546 15.293 ( -0.978 -0.876 6.614) 6.743 15.419 ( -11.132 -5.230 -4.975) 13.268 15.820 ( 6.629 -3.081 -2.218) 7.640 16.078 ( 7.345 -5.550 -11.010) 14.352 16.483 ( 10.696 -1.466 2.897) 11.178 16.599 ( 2.107 -1.156 7.790) 8.152 16.667 ( 13.633 0.175 0.084) 13.634 17.135 ( -0.235 -1.909 -4.876) 5.242 24.520 ( 0.018 0.225 3.416) 3.424 24.718 ( -0.284 -0.977 1.460) 1.780 24.779 ( -1.145 0.302 4.746) 4.892 24.836 ( -0.340 -1.079 -5.755) 5.865 25.055 ( -0.695 -0.051 9.170) 9.196 25.176 ( 0.218 -0.331 9.599) 9.607 25.701 ( -10.986 10.982 -7.981) 17.464 25.860 ( -4.935 9.910 -10.135) 15.010 27.382 ( -7.625 -1.398 2.349) 8.100 27.501 ( -5.172 -1.672 1.320) 5.594 27.662 ( -0.358 -3.378 -1.321) 3.645 27.798 ( -2.314 -1.448 -2.153) 3.477 27.948 ( -2.590 -0.231 10.818) 11.126 28.000 ( 8.312 5.844 4.898) 11.280 28.481 ( 8.116 -10.457 -2.101) 13.403 28.982 ( 9.638 -6.576 -16.117) 19.897 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 10.998 8.080 7.362) 15.506 1.426 ( 15.794 11.650 7.823) 21.128 1.542 ( -5.735 4.739 -2.944) 8.001 1.710 ( 0.065 9.024 7.872) 11.975 1.850 ( 8.535 9.510 2.193) 12.965 1.966 ( 2.234 0.047 -2.435) 3.305 2.116 ( 9.070 12.099 4.510) 15.780 2.161 ( 1.399 7.186 -1.550) 7.483 2.340 ( 1.105 4.420 1.556) 4.814 2.660 ( -5.637 4.173 2.365) 7.401 2.885 ( -1.545 -2.047 -6.361) 6.859 3.011 ( 8.822 0.306 4.002) 9.692 3.077 ( -3.246 2.986 -3.874) 5.870 3.154 ( 2.731 0.607 -1.161) 3.029 3.294 ( 8.508 2.773 -0.490) 8.962 3.478 ( 14.213 -2.633 -1.229) 14.507 3.507 ( 0.419 -5.702 3.128) 6.517 3.584 ( 4.471 -3.098 6.015) 8.110 3.649 ( 1.987 -3.875 0.885) 4.444 3.692 ( 1.505 -0.860 -2.465) 3.013 3.815 ( 2.563 -1.452 0.696) 3.027 3.879 ( 7.423 1.861 -3.126) 8.266 3.955 ( -0.275 -5.587 5.313) 7.715 4.026 ( 8.245 5.486 -1.191) 9.975 4.089 ( 1.458 1.321 0.913) 2.169 4.301 ( 14.597 -2.391 3.389) 15.174 4.378 ( 5.176 -3.623 3.447) 7.198 4.421 ( 6.430 -0.151 3.676) 7.408 4.569 ( -7.117 1.046 -2.677) 7.676 4.688 ( 4.974 1.627 -1.843) 5.548 4.865 ( 0.662 1.471 0.649) 1.739 4.906 ( 2.209 -0.698 -1.080) 2.555 5.030 ( 8.027 -2.828 -2.291) 8.814 5.092 ( 11.118 1.087 -4.076) 11.891 5.204 ( 4.054 2.217 1.691) 4.921 5.569 ( 8.961 -6.272 -8.436) 13.814 6.767 ( -1.678 3.521 5.399) 6.660 7.048 ( -1.966 0.071 6.806) 7.085 7.129 ( -3.180 5.243 -1.684) 6.359 7.179 ( -3.341 5.805 1.122) 6.791 7.363 ( -4.041 0.318 -2.555) 4.791 7.500 ( -2.971 -2.619 6.196) 7.354 7.674 ( -0.902 5.127 -5.193) 7.353 7.770 ( -0.745 -0.914 -3.005) 3.228 7.893 ( -1.757 2.363 1.366) 3.246 7.926 ( -5.094 -2.480 0.631) 5.700 7.982 ( 1.971 0.083 1.390) 2.413 8.081 ( 0.529 0.511 -1.156) 1.370 8.419 ( -3.336 7.070 5.846) 9.761 8.598 ( 3.618 -2.306 7.897) 8.988 8.848 ( -3.249 4.271 -4.142) 6.779 9.063 ( 3.823 -4.845 3.121) 6.916 9.307 ( -2.153 -8.795 -2.867) 9.497 9.471 ( -3.740 -0.646 1.255) 3.997 9.588 ( -1.901 -20.382 -9.127) 22.413 9.873 ( 3.169 2.204 -8.421) 9.264 10.068 ( 2.631 0.340 4.798) 5.483 10.455 ( -2.738 -0.840 1.790) 3.377 10.522 ( 1.173 0.510 -6.354) 6.482 10.690 ( 0.920 4.623 -7.376) 8.754 10.896 ( -11.100 -2.528 4.406) 12.208 11.084 ( 2.620 -14.772 3.303) 15.362 11.222 ( -8.589 -5.599 -2.690) 10.600 11.402 ( 2.744 -13.624 -4.422) 14.584 11.862 ( -3.989 0.776 10.682) 11.429 12.282 ( -11.098 4.436 -3.893) 12.570 12.714 ( -4.072 -3.408 8.451) 9.981 13.052 ( -8.047 18.458 6.723) 21.228 13.247 ( 4.388 -4.153 -5.326) 8.054 13.727 ( -5.684 19.023 -10.464) 22.443 14.607 ( -7.551 -6.038 5.728) 11.238 15.169 ( -6.287 -5.788 -8.447) 12.016 15.278 ( -1.369 0.521 8.566) 8.690 15.317 ( 5.938 2.453 8.009) 10.268 15.760 ( -7.236 6.210 -1.388) 9.636 16.253 ( 6.275 -2.420 -12.217) 13.946 16.585 ( 0.078 -2.053 9.886) 10.097 16.763 ( 12.131 -3.085 3.050) 12.883 16.997 ( 14.718 -2.596 -2.787) 15.203 17.124 ( -0.716 -1.851 -4.892) 5.279 24.521 ( 0.120 0.065 3.151) 3.154 24.711 ( -0.415 -1.197 1.732) 2.146 24.770 ( 0.348 2.831 4.605) 5.417 24.829 ( -0.257 -0.373 -5.931) 5.948 25.045 ( -0.296 -0.097 3.661) 3.674 25.176 ( -0.143 -0.358 9.514) 9.522 25.513 ( -5.460 9.037 -4.679) 11.548 25.786 ( -4.130 3.333 -7.556) 9.234 27.244 ( -5.404 -0.468 2.413) 5.937 27.439 ( -1.597 -1.582 -1.544) 2.727 27.600 ( -4.810 -3.275 -2.134) 6.198 27.729 ( -3.788 -2.037 -2.152) 4.809 27.900 ( -1.687 2.560 9.573) 10.052 28.189 ( 7.815 3.645 4.326) 9.648 28.428 ( -6.285 -0.979 0.765) 6.407 29.227 ( 9.994 -11.067 -15.917) 21.811 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 1.935 7.227 -1.087) 7.560 1.437 ( 0.086 5.780 -0.865) 5.845 1.666 ( 4.337 3.827 8.077) 9.934 1.838 ( 10.829 2.896 6.279) 12.849 2.010 ( 2.421 0.326 -2.217) 3.299 2.037 ( 7.631 8.056 0.544) 11.109 2.170 ( 1.189 4.112 -0.052) 4.281 2.255 ( 4.022 8.357 0.529) 9.289 2.312 ( -0.983 2.947 4.874) 5.780 2.563 ( -3.497 5.209 1.219) 6.391 2.776 ( -9.194 5.111 8.065) 13.255 2.896 ( -8.372 2.235 -0.135) 8.666 3.153 ( 0.279 1.082 -4.250) 4.394 3.214 ( 5.467 -0.089 -1.737) 5.737 3.458 ( 3.915 -0.299 -4.402) 5.899 3.505 ( 1.142 -6.928 -2.205) 7.360 3.580 ( -0.433 -2.678 3.425) 4.369 3.718 ( 2.729 -4.275 1.471) 5.281 3.736 ( 2.562 -1.636 0.687) 3.116 3.779 ( 6.167 -1.167 -2.338) 6.698 3.904 ( 1.842 3.884 6.194) 7.539 3.960 ( 2.404 -3.377 1.039) 4.274 3.972 ( 7.269 -0.653 1.126) 7.384 4.082 ( -0.156 2.484 -1.523) 2.918 4.261 ( 3.095 -2.430 -5.237) 6.551 4.401 ( -4.308 -1.337 2.980) 5.406 4.474 ( 3.928 1.856 -2.898) 5.222 4.534 ( 4.622 -1.054 4.093) 6.263 4.647 ( 16.735 2.244 5.720) 17.827 4.800 ( 6.005 4.840 0.429) 7.725 4.882 ( 1.327 1.986 1.072) 2.618 4.946 ( 1.605 0.745 -1.060) 2.063 5.166 ( 3.641 -1.554 0.488) 3.988 5.297 ( 5.325 2.896 -3.893) 7.204 5.424 ( 13.851 0.609 -2.558) 14.098 5.766 ( 8.620 -6.201 -9.657) 14.353 6.783 ( 2.897 2.058 4.684) 5.879 6.979 ( -4.641 -1.894 4.576) 6.787 7.098 ( 0.178 3.073 -1.209) 3.307 7.121 ( -1.785 5.818 3.288) 6.917 7.261 ( -5.166 1.377 -2.829) 6.048 7.439 ( -2.590 -2.447 6.773) 7.653 7.659 ( -0.529 3.943 -6.539) 7.654 7.762 ( 0.123 -2.570 -3.067) 4.004 7.838 ( -3.011 -2.734 0.677) 4.123 7.864 ( -0.790 0.684 0.145) 1.055 7.997 ( -0.476 0.464 1.615) 1.747 8.095 ( 0.819 0.729 -1.084) 1.542 8.363 ( -1.989 8.378 5.378) 10.152 8.651 ( 1.425 -5.165 6.660) 8.548 8.790 ( -2.235 4.647 -3.876) 6.451 9.089 ( -1.072 -9.803 3.456) 10.449 9.253 ( -1.981 -7.895 -3.431) 8.833 9.411 ( -4.175 -4.627 -1.583) 6.430 9.451 ( -6.278 -7.318 -1.035) 9.697 9.953 ( 3.916 2.224 -7.781) 8.990 10.112 ( 1.314 2.170 5.226) 5.809 10.401 ( -1.578 0.947 1.834) 2.598 10.560 ( 1.836 1.266 -4.925) 5.407 10.650 ( -8.381 -1.365 4.071) 9.417 10.715 ( -1.187 3.856 -7.970) 8.933 11.016 ( -6.472 -3.142 -4.501) 8.486 11.180 ( 2.498 -20.196 4.587) 20.860 11.442 ( 0.941 -15.556 -3.182) 15.906 11.805 ( -1.551 1.628 5.840) 6.258 12.122 ( -4.524 -0.137 -3.337) 5.623 12.637 ( -2.846 -3.458 9.385) 10.399 12.930 ( -3.529 20.778 7.008) 22.210 13.322 ( 2.970 -5.267 -7.803) 9.872 13.601 ( -5.801 18.441 -9.528) 21.553 14.490 ( -3.522 -5.131 5.547) 8.337 15.069 ( -2.680 -5.191 -10.083) 11.653 15.254 ( -0.924 0.860 5.865) 5.999 15.438 ( 4.545 2.374 10.394) 11.590 15.607 ( -6.278 8.051 -0.116) 10.210 16.331 ( 1.698 1.398 -7.706) 8.013 16.590 ( 0.502 -0.611 7.303) 7.345 16.973 ( 7.136 -4.263 3.325) 8.953 17.107 ( -0.724 -1.719 -4.909) 5.252 17.241 ( 8.016 -3.023 -3.201) 9.146 24.525 ( 0.149 -0.069 2.586) 2.591 24.702 ( -0.334 -1.349 2.586) 2.936 24.786 ( 0.892 3.140 4.555) 5.604 24.826 ( -0.070 0.003 -6.654) 6.654 25.040 ( -0.166 -0.433 0.726) 0.862 25.172 ( -0.209 -0.257 9.266) 9.272 25.465 ( 0.550 5.264 -4.848) 7.178 25.673 ( -6.219 1.916 -6.216) 8.999 27.157 ( -2.834 -0.202 2.867) 4.037 27.420 ( -0.274 -2.101 -2.392) 3.196 27.497 ( -4.311 -3.004 -1.434) 5.446 27.656 ( -2.688 -2.361 -2.372) 4.292 27.877 ( -0.578 4.408 7.681) 8.875 28.234 ( -2.898 4.163 -3.124) 5.957 28.396 ( 3.151 1.202 10.432) 10.963 29.376 ( 4.449 -10.200 -14.148) 18.000 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 4.239 -0.787) 4.312 1.469 ( -0.000 9.959 -1.573) 10.082 1.710 ( 0.000 1.809 8.249) 8.445 1.952 ( 0.000 -0.772 2.453) 2.572 2.075 ( 0.000 -7.962 -3.454) 8.679 2.096 ( -0.000 9.953 1.214) 10.027 2.185 ( -0.000 -0.384 -1.462) 1.512 2.302 ( -0.000 8.375 -2.787) 8.826 2.359 ( -0.000 10.918 7.184) 13.069 2.556 ( -0.000 4.272 11.112) 11.905 2.584 ( 0.000 2.536 1.736) 3.073 2.783 ( 0.000 11.366 6.664) 13.176 3.168 ( 0.000 0.932 -6.063) 6.134 3.265 ( -0.000 -2.002 -2.328) 3.071 3.478 ( 0.000 -10.206 -3.836) 10.903 3.535 ( 0.000 -1.653 -6.236) 6.452 3.574 ( 0.000 -0.459 4.553) 4.576 3.745 ( 0.000 -4.214 0.568) 4.252 3.765 ( 0.000 -2.122 0.145) 2.127 3.848 ( -0.000 2.524 -6.317) 6.802 3.886 ( 0.000 2.046 4.829) 5.245 3.985 ( -0.000 -5.027 1.072) 5.140 4.079 ( 0.000 1.248 -1.225) 1.749 4.107 ( 0.000 0.605 6.685) 6.713 4.234 ( 0.000 1.115 -4.965) 5.089 4.362 ( 0.000 -3.109 6.709) 7.395 4.538 ( 0.000 3.395 -3.998) 5.244 4.573 ( 0.000 -4.605 1.958) 5.004 4.864 ( 0.000 -0.556 2.084) 2.157 4.866 ( 0.000 2.509 3.409) 4.233 4.924 ( 0.000 8.676 3.351) 9.301 4.966 ( 0.000 1.488 -0.489) 1.567 5.203 ( 0.000 0.431 1.224) 1.297 5.353 ( 0.000 2.613 -6.091) 6.628 5.581 ( 0.000 1.112 -3.434) 3.610 5.865 ( 0.000 -5.713 -9.770) 11.318 6.865 ( 0.000 -1.352 3.809) 4.042 6.876 ( -0.000 0.663 4.934) 4.978 7.104 ( 0.000 7.155 5.557) 9.059 7.118 ( 0.000 -0.970 -3.046) 3.197 7.186 ( -0.000 3.026 -3.143) 4.363 7.409 ( 0.000 -2.564 7.346) 7.781 7.653 ( 0.000 3.671 -7.181) 8.065 7.770 ( 0.000 -3.365 -3.932) 5.175 7.802 ( 0.000 -3.143 1.542) 3.501 7.859 ( 0.000 -1.327 -0.126) 1.333 7.986 ( -0.000 0.984 2.308) 2.509 8.108 ( 0.000 1.918 -1.169) 2.246 8.340 ( 0.000 8.492 4.833) 9.771 8.661 ( 0.000 -4.734 4.403) 6.465 8.763 ( 0.000 2.439 -2.494) 3.488 9.065 ( 0.000 -11.126 3.934) 11.801 9.268 ( 0.000 -11.949 -7.982) 14.370 9.272 ( -0.000 -8.653 -1.534) 8.788 9.428 ( 0.000 6.538 5.140) 8.316 10.002 ( 0.000 1.184 -8.427) 8.510 10.123 ( 0.000 2.844 5.292) 6.007 10.390 ( 0.000 0.407 1.587) 1.639 10.539 ( -0.000 -0.510 5.295) 5.320 10.584 ( -0.000 2.821 -4.556) 5.359 10.707 ( 0.000 2.641 -8.731) 9.121 10.942 ( 0.000 -1.913 -4.628) 5.008 11.211 ( 0.000 -22.435 4.257) 22.836 11.449 ( 0.000 -15.842 -2.131) 15.985 11.790 ( 0.000 1.477 4.252) 4.502 12.077 ( 0.000 -2.112 -3.373) 3.980 12.606 ( 0.000 -3.551 10.024) 10.635 12.895 ( 0.000 21.779 7.339) 22.982 13.365 ( 0.000 -7.846 -9.643) 12.432 13.523 ( 0.000 20.693 -8.708) 22.451 14.454 ( 0.000 -4.739 5.574) 7.316 15.044 ( -0.000 -4.994 -10.521) 11.646 15.244 ( 0.000 0.887 4.775) 4.856 15.501 ( 0.000 1.294 13.903) 13.964 15.522 ( -0.000 9.521 -2.508) 9.846 16.346 ( 0.000 2.264 -5.192) 5.664 16.597 ( 0.000 0.200 5.456) 5.459 17.050 ( 0.000 -4.533 3.512) 5.734 17.099 ( 0.000 -1.635 -5.022) 5.281 17.326 ( 0.000 -3.048 -3.271) 4.471 24.526 ( -0.000 -0.116 2.230) 2.233 24.698 ( 0.000 -1.385 3.128) 3.421 24.797 ( 0.000 3.112 5.414) 6.245 24.824 ( 0.000 0.001 -7.825) 7.825 25.038 ( 0.000 -0.495 -0.184) 0.528 25.169 ( 0.000 -0.229 9.123) 9.126 25.503 ( 0.000 4.365 -7.121) 8.352 25.572 ( -0.000 1.304 -3.525) 3.758 27.127 ( 0.000 -0.139 3.016) 3.020 27.426 ( 0.000 -0.388 -5.989) 6.001 27.439 ( -0.000 -4.725 2.328) 5.267 27.627 ( 0.000 -2.368 -2.422) 3.387 27.872 ( 0.000 5.003 6.917) 8.536 28.195 ( 0.000 5.013 -2.576) 5.636 28.438 ( 0.000 1.018 10.642) 10.691 29.422 ( 0.000 -9.896 -13.583) 16.806 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 14.285 15.030) 20.735 1.330 ( 0.000 25.478 9.135) 27.067 1.684 ( 0.000 -0.450 1.964) 2.014 1.915 ( 0.000 2.166 -4.835) 5.299 2.005 ( 0.000 19.224 -3.804) 19.597 2.112 ( 0.000 9.607 -4.500) 10.609 2.203 ( 0.000 10.070 -12.093) 15.737 2.277 ( 0.000 16.825 -3.938) 17.280 2.527 ( 0.000 22.659 13.289) 26.269 2.706 ( 0.000 -9.729 1.456) 9.837 2.751 ( 0.000 4.410 0.729) 4.470 2.903 ( 0.000 -1.103 -2.776) 2.987 2.921 ( 0.000 -1.222 -2.796) 3.052 2.982 ( 0.000 -0.810 -6.562) 6.612 3.137 ( 0.000 5.385 -6.132) 8.161 3.219 ( 0.000 -4.429 3.620) 5.721 3.338 ( 0.000 -6.964 6.502) 9.528 3.342 ( 0.000 -2.695 8.393) 8.815 3.496 ( 0.000 -10.103 -1.762) 10.256 3.619 ( 0.000 -7.598 1.840) 7.817 3.693 ( 0.000 -3.555 9.002) 9.679 3.822 ( 0.000 -0.533 4.533) 4.565 3.845 ( 0.000 2.769 -2.839) 3.965 3.876 ( 0.000 8.373 -3.727) 9.165 4.008 ( 0.000 -3.134 13.466) 13.826 4.034 ( 0.000 1.899 -2.216) 2.919 4.069 ( 0.000 -2.715 2.005) 3.375 4.209 ( 0.000 0.522 2.824) 2.872 4.515 ( 0.000 -10.241 3.973) 10.984 4.561 ( 0.000 -3.921 -8.618) 9.468 4.723 ( 0.000 0.467 -1.404) 1.479 4.873 ( 0.000 -0.495 -6.125) 6.145 5.051 ( 0.000 -2.279 -1.527) 2.743 5.101 ( 0.000 1.396 -1.054) 1.749 5.132 ( 0.000 -0.196 2.022) 2.031 5.180 ( 0.000 1.234 0.701) 1.420 7.071 ( 0.000 4.236 8.981) 9.930 7.097 ( 0.000 1.222 5.749) 5.878 7.191 ( 0.000 4.610 4.612) 6.521 7.404 ( 0.000 -0.904 -1.322) 1.602 7.450 ( 0.000 -1.096 1.955) 2.241 7.704 ( 0.000 5.991 -7.164) 9.339 7.705 ( 0.000 -8.912 1.093) 8.979 7.838 ( 0.000 3.015 1.331) 3.295 7.949 ( 0.000 7.148 -1.579) 7.321 7.965 ( 0.000 -1.230 0.382) 1.288 8.024 ( 0.000 -0.129 -0.824) 0.834 8.411 ( 0.000 1.802 2.204) 2.847 8.473 ( 0.000 -6.153 -12.920) 14.310 8.580 ( 0.000 2.373 -2.391) 3.369 8.803 ( 0.000 -8.102 5.100) 9.574 8.900 ( 0.000 16.922 4.468) 17.502 9.068 ( 0.000 -16.507 -1.867) 16.612 9.172 ( 0.000 11.174 -2.915) 11.548 9.580 ( 0.000 0.653 1.021) 1.212 9.821 ( 0.000 0.521 -7.227) 7.246 9.898 ( 0.000 -5.329 4.465) 6.953 10.284 ( 0.000 -16.704 5.479) 17.580 10.523 ( 0.000 -0.751 -11.256) 11.281 10.647 ( 0.000 0.387 -5.246) 5.260 10.857 ( 0.000 -4.334 3.309) 5.453 11.063 ( 0.000 -11.535 -2.854) 11.883 11.068 ( 0.000 -5.624 5.366) 7.773 11.307 ( 0.000 -9.345 -1.731) 9.504 12.055 ( 0.000 8.524 14.385) 16.721 12.678 ( 0.000 -5.780 4.891) 7.572 12.996 ( 0.000 2.856 -15.525) 15.785 13.085 ( 0.000 0.834 -5.035) 5.104 13.748 ( 0.000 16.679 10.499) 19.709 14.332 ( 0.000 20.627 -7.991) 22.121 14.686 ( 0.000 -11.204 6.143) 12.777 15.078 ( 0.000 -1.640 1.674) 2.344 15.241 ( 0.000 -5.758 12.958) 14.180 15.353 ( 0.000 -4.168 -4.738) 6.310 15.602 ( 0.000 1.367 -6.157) 6.307 15.921 ( 0.000 -5.398 -7.794) 9.481 16.380 ( 0.000 2.062 3.964) 4.468 16.571 ( 0.000 -2.444 8.527) 8.871 16.611 ( 0.000 8.081 -2.287) 8.398 17.072 ( 0.000 -4.346 -4.857) 6.517 24.536 ( 0.000 1.294 3.027) 3.292 24.688 ( 0.000 -2.323 1.715) 2.888 24.801 ( 0.000 1.130 -1.082) 1.564 24.813 ( 0.000 -0.924 -5.175) 5.257 25.083 ( 0.000 2.019 14.779) 14.917 25.173 ( 0.000 -0.065 10.346) 10.347 25.892 ( 0.000 5.585 -8.871) 10.483 26.199 ( 0.000 0.959 -19.332) 19.356 27.448 ( 0.000 -4.172 2.731) 4.987 27.461 ( 0.000 -3.800 5.468) 6.659 27.630 ( 0.000 -1.996 -2.122) 2.914 27.739 ( 0.000 -2.647 -3.135) 4.103 27.960 ( 0.000 1.582 14.804) 14.888 28.027 ( 0.000 4.397 3.771) 5.793 28.302 ( 0.000 10.144 -3.103) 10.608 28.807 ( 0.000 -7.227 -9.615) 12.028 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 5.176 13.510 10.726) 18.010 1.482 ( 10.010 19.682 7.348) 23.272 1.721 ( 3.317 0.083 2.617) 4.226 1.886 ( -10.018 6.127 -7.350) 13.854 1.932 ( 1.522 2.404 -4.446) 5.279 2.117 ( 3.832 23.035 -0.303) 23.353 2.298 ( 2.796 6.167 -6.370) 9.297 2.318 ( 3.889 15.403 -4.103) 16.408 2.515 ( -1.313 17.207 9.992) 19.941 2.693 ( -1.364 -9.402 1.990) 9.707 2.845 ( 1.721 -0.225 -4.921) 5.218 2.919 ( 6.935 2.627 -1.627) 7.592 2.955 ( 7.100 3.162 -1.471) 7.910 3.081 ( 7.899 -2.233 -3.839) 9.062 3.208 ( 1.666 2.692 2.276) 3.899 3.254 ( 5.820 0.177 -2.386) 6.292 3.368 ( 1.462 -6.766 5.767) 9.009 3.396 ( 5.199 -2.917 8.098) 10.055 3.517 ( 1.853 -7.576 0.062) 7.799 3.605 ( 1.188 -5.457 0.825) 5.645 3.758 ( 1.382 -4.114 -0.175) 4.343 3.802 ( 2.320 -1.349 6.955) 7.455 3.863 ( -0.488 5.331 -0.532) 5.379 3.954 ( 9.650 2.874 4.781) 11.147 4.027 ( 3.579 0.910 4.180) 5.578 4.085 ( 3.587 1.708 0.650) 4.026 4.206 ( 9.866 -3.398 1.043) 10.487 4.244 ( 3.095 0.818 1.483) 3.528 4.565 ( 4.458 -5.024 1.088) 6.804 4.615 ( 6.059 -5.549 -5.314) 9.785 4.705 ( -1.916 -1.861 -2.696) 3.796 4.891 ( 1.679 -0.248 -6.122) 6.353 4.982 ( -3.171 2.599 1.394) 4.331 5.047 ( -1.399 1.477 0.127) 2.038 5.170 ( 1.991 0.163 1.361) 2.417 5.287 ( 6.512 -3.750 -2.132) 7.811 6.960 ( -6.253 5.097 7.047) 10.712 7.084 ( -1.554 0.145 5.298) 5.523 7.268 ( 3.265 5.264 4.977) 7.946 7.393 ( -1.224 -0.209 -1.665) 2.077 7.428 ( -2.501 1.590 -0.227) 2.972 7.549 ( -8.374 -1.248 0.233) 8.470 7.757 ( -0.136 0.190 -2.959) 2.968 7.844 ( 0.540 0.612 0.252) 0.854 7.900 ( -3.223 4.639 -2.849) 6.326 7.956 ( -1.888 -2.196 -1.805) 3.413 8.016 ( -1.636 0.938 1.048) 2.157 8.202 ( -8.355 3.965 -2.899) 9.692 8.436 ( 1.668 0.215 3.649) 4.018 8.769 ( -0.974 0.381 4.979) 5.087 8.818 ( 5.704 -0.473 -6.261) 8.483 8.958 ( 3.034 2.073 2.428) 4.404 9.075 ( 0.436 -16.630 -1.401) 16.694 9.211 ( 3.357 6.430 -5.552) 9.134 9.556 ( -1.474 2.579 2.140) 3.661 9.859 ( 3.270 0.997 -6.301) 7.169 9.945 ( 3.783 -4.829 4.503) 7.610 10.298 ( 1.277 -15.668 4.245) 16.283 10.511 ( 0.159 -1.249 -8.220) 8.316 10.695 ( 2.481 -0.610 -7.442) 7.868 10.824 ( -2.648 -5.629 3.039) 6.924 10.990 ( -5.747 -8.438 2.146) 10.433 11.048 ( -2.495 -10.553 0.188) 10.846 11.254 ( -4.876 -8.427 -2.118) 9.964 12.031 ( -2.050 9.105 12.382) 15.505 12.643 ( -3.635 -3.998 3.177) 6.268 12.817 ( -12.979 5.659 -7.843) 16.186 13.115 ( 1.435 -1.774 -5.524) 5.977 13.633 ( -8.395 18.613 8.559) 22.141 14.248 ( -6.027 19.015 -9.692) 22.177 14.595 ( -7.572 -11.021 6.623) 14.922 15.111 ( 0.595 -4.590 -1.989) 5.038 15.273 ( 2.641 -0.989 9.189) 9.611 15.297 ( -3.995 -4.618 1.825) 6.373 15.797 ( 15.192 1.404 -5.437) 16.196 16.009 ( 5.298 -2.532 -8.965) 10.717 16.463 ( 6.933 -0.129 4.013) 8.012 16.574 ( 0.723 -1.784 8.152) 8.376 16.705 ( 8.996 3.913 -2.185) 10.050 17.071 ( -0.152 -4.243 -4.833) 6.433 24.534 ( -0.120 1.223 3.058) 3.296 24.684 ( -0.397 -2.316 1.763) 2.937 24.806 ( 0.435 1.049 -1.841) 2.163 24.817 ( 0.422 -0.340 -4.625) 4.656 25.076 ( -0.659 1.977 12.779) 12.948 25.172 ( -0.094 -0.225 10.334) 10.337 25.845 ( -4.995 5.683 -8.405) 11.309 26.042 ( -10.844 4.609 -13.560) 17.964 27.351 ( -5.858 -1.332 3.084) 6.754 27.435 ( -3.126 -3.888 3.470) 6.077 27.611 ( -1.844 -1.977 -3.946) 4.784 27.727 ( -2.352 -4.656 -2.939) 5.988 27.973 ( 0.943 3.374 11.723) 12.235 28.105 ( 6.569 3.484 5.067) 8.998 28.421 ( 6.334 3.450 -3.145) 7.869 28.834 ( 4.173 -7.255 -9.904) 12.967 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 7.439 9.790 3.824) 12.877 1.630 ( 0.278 7.485 -0.231) 7.494 1.704 ( -2.445 7.934 -1.977) 8.535 1.810 ( 4.205 3.491 4.919) 7.353 1.972 ( 1.998 1.870 -3.720) 4.618 2.199 ( 3.626 18.978 0.462) 19.327 2.290 ( -2.124 3.886 -2.368) 5.022 2.414 ( 3.995 12.283 -3.453) 13.370 2.474 ( -1.659 10.352 7.303) 12.777 2.663 ( -1.528 -1.658 4.514) 5.045 2.832 ( 1.384 -4.621 -7.112) 8.593 3.041 ( -1.678 0.769 4.120) 4.515 3.152 ( 5.169 -1.105 -5.571) 7.679 3.195 ( 3.208 2.574 -0.481) 4.141 3.289 ( 2.685 -3.262 2.305) 4.813 3.373 ( 5.088 -0.442 -1.072) 5.218 3.427 ( 7.684 -4.055 3.522) 9.375 3.544 ( 7.256 -1.082 6.750) 9.970 3.579 ( 4.915 -0.476 1.300) 5.106 3.660 ( 3.501 -3.824 -1.343) 5.356 3.811 ( -0.902 -5.534 4.328) 7.084 3.832 ( 7.588 3.350 -0.131) 8.295 3.938 ( 4.534 2.749 1.930) 5.643 4.103 ( 5.427 2.520 -2.368) 6.435 4.149 ( 2.299 2.954 -1.512) 4.037 4.263 ( 14.280 -1.278 5.743) 15.444 4.354 ( 8.265 1.174 3.071) 8.895 4.387 ( 6.687 -2.537 1.365) 7.281 4.612 ( -3.595 4.381 -4.452) 7.207 4.701 ( 8.389 -0.549 -0.890) 8.454 4.836 ( 10.259 -5.660 -1.703) 11.840 4.911 ( 0.178 2.448 -0.356) 2.480 5.009 ( 5.020 0.924 0.620) 5.142 5.109 ( 9.485 0.112 -1.182) 9.559 5.235 ( 4.730 0.323 0.766) 4.803 5.426 ( 7.486 -6.970 -4.495) 11.172 6.861 ( -2.830 4.967 5.128) 7.680 7.031 ( -3.463 -0.975 4.751) 5.959 7.271 ( -4.243 6.603 -1.159) 7.934 7.306 ( -4.709 4.932 -0.714) 6.857 7.366 ( -2.255 1.111 -0.784) 2.633 7.444 ( -2.451 -2.622 4.987) 6.144 7.722 ( -2.417 -2.008 -2.480) 4.003 7.811 ( -5.301 1.570 -4.864) 7.364 7.829 ( -2.501 -1.709 0.408) 3.057 7.887 ( -2.506 -1.153 -1.243) 3.025 8.010 ( 1.162 1.124 1.941) 2.526 8.142 ( -0.307 4.222 -1.580) 4.518 8.466 ( 1.196 -1.183 4.991) 5.267 8.735 ( -1.568 8.980 5.668) 10.734 8.869 ( -0.335 -4.260 -3.494) 5.520 8.969 ( -1.748 0.104 0.202) 1.763 9.074 ( -0.579 -14.753 -1.545) 14.845 9.243 ( -1.173 -0.706 -7.320) 7.447 9.545 ( 0.493 6.256 4.442) 7.688 9.938 ( 3.886 2.172 -4.481) 6.317 10.030 ( 3.903 -4.337 4.944) 7.648 10.338 ( 2.429 -14.432 1.989) 14.769 10.530 ( 0.862 -0.878 -6.199) 6.320 10.677 ( -3.498 -7.933 -3.303) 9.278 10.776 ( -4.314 -2.173 0.055) 4.830 10.859 ( -3.959 -6.774 1.023) 7.912 10.986 ( -2.864 -16.892 -1.712) 17.219 11.118 ( -7.441 -7.004 -2.526) 10.526 11.981 ( -2.426 9.733 8.522) 13.162 12.480 ( -10.730 10.901 -5.323) 16.196 12.617 ( -5.268 -4.903 6.485) 9.688 13.135 ( 0.489 -6.439 -6.410) 9.099 13.472 ( -6.150 19.895 7.014) 21.973 14.122 ( -5.858 18.154 -10.623) 21.834 14.434 ( -6.605 -10.171 6.093) 13.572 15.012 ( -6.257 -9.312 -9.870) 14.942 15.297 ( 0.249 1.397 10.092) 10.192 15.364 ( 6.082 1.587 10.672) 12.386 15.917 ( -2.546 8.170 -5.099) 9.961 16.204 ( 10.925 -2.054 -10.668) 15.407 16.552 ( 1.284 -0.759 8.691) 8.818 16.686 ( 9.283 -3.953 3.896) 10.816 16.946 ( 12.200 -1.854 -2.953) 12.688 17.065 ( -0.357 -3.682 -4.769) 6.036 24.532 ( -0.095 1.020 3.024) 3.192 24.673 ( -0.553 -2.329 2.064) 3.161 24.816 ( 0.486 0.489 -4.773) 4.823 24.831 ( 0.874 1.108 -1.983) 2.434 25.059 ( -0.817 1.711 8.834) 9.035 25.168 ( -0.245 -0.502 10.036) 10.052 25.690 ( -7.701 7.241 -6.511) 12.415 25.860 ( -7.051 2.829 -9.096) 11.851 27.235 ( -4.831 -0.199 3.023) 5.702 27.373 ( -2.489 -4.218 2.322) 5.420 27.541 ( -4.396 -2.144 -4.324) 6.528 27.655 ( -3.838 -4.710 -2.971) 6.763 27.994 ( 1.032 6.331 8.485) 10.636 28.257 ( 6.997 1.922 5.471) 9.088 28.451 ( -2.072 3.920 -2.310) 5.000 28.986 ( 8.120 -11.112 -10.119) 17.083 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -3.185 6.215 -2.232) 7.331 1.589 ( 5.727 7.032 -2.448) 9.394 1.751 ( 1.649 3.561 1.325) 4.142 1.878 ( 2.037 -0.518 3.200) 3.828 1.997 ( 0.043 1.689 -2.643) 3.137 2.216 ( -0.570 3.865 -2.598) 4.692 2.314 ( 2.476 13.842 0.311) 14.065 2.455 ( 1.933 4.331 1.502) 4.975 2.498 ( 3.511 11.432 4.772) 12.876 2.643 ( 0.019 7.467 6.297) 9.768 2.885 ( -4.566 4.872 3.288) 7.444 2.916 ( -0.986 -0.796 0.301) 1.302 3.162 ( -1.385 -2.039 1.409) 2.839 3.246 ( -0.099 0.913 -4.288) 4.386 3.274 ( -0.935 -8.851 -2.685) 9.296 3.466 ( 2.960 -0.335 -1.805) 3.483 3.525 ( 1.515 -4.697 1.859) 5.274 3.637 ( 2.978 -1.152 5.014) 5.944 3.707 ( 2.127 -1.446 1.059) 2.781 3.773 ( 5.914 -3.884 -2.666) 7.561 3.806 ( 2.681 -4.267 2.043) 5.438 3.964 ( -0.043 1.343 -3.438) 3.691 4.049 ( 9.261 6.026 7.481) 13.343 4.127 ( -1.892 1.616 -2.710) 3.679 4.223 ( 2.653 -1.172 -4.071) 4.998 4.367 ( -2.670 -1.956 4.405) 5.510 4.489 ( 3.494 0.485 -1.777) 3.949 4.535 ( 5.062 -0.078 2.211) 5.524 4.753 ( 14.727 8.035 1.905) 16.884 4.867 ( 3.452 2.234 0.070) 4.113 4.944 ( 5.274 2.017 1.117) 5.756 4.983 ( 5.233 3.801 1.498) 6.639 5.129 ( 5.282 -1.959 0.204) 5.637 5.346 ( 7.188 1.317 -3.479) 8.094 5.406 ( 12.515 -2.827 0.522) 12.841 5.623 ( 9.961 -6.665 -5.603) 13.230 6.837 ( 0.225 2.858 3.711) 4.689 6.945 ( -4.273 -1.034 4.463) 6.265 7.155 ( -4.276 2.881 -4.066) 6.566 7.249 ( -2.525 2.754 -1.601) 4.065 7.322 ( -1.321 4.984 2.859) 5.896 7.391 ( -2.678 -1.331 4.751) 5.614 7.682 ( -1.058 -3.569 -2.636) 4.561 7.716 ( -3.067 -3.733 -3.025) 5.700 7.765 ( -2.819 -2.961 0.663) 4.142 7.854 ( -1.187 3.698 -2.844) 4.814 8.018 ( -0.673 0.535 1.824) 2.016 8.140 ( -0.019 2.758 -1.338) 3.066 8.488 ( 0.839 -1.015 4.620) 4.804 8.711 ( -0.625 13.224 5.286) 14.255 8.828 ( -2.722 -7.543 -1.476) 8.154 8.891 ( -5.265 -2.941 -0.134) 6.032 9.057 ( -0.746 -12.480 -2.422) 12.735 9.195 ( -2.143 4.138 -6.303) 7.838 9.562 ( 0.717 7.520 5.891) 9.579 10.010 ( 2.717 2.331 -3.842) 5.251 10.095 ( 1.986 -4.310 5.389) 7.181 10.384 ( 1.378 -9.227 0.267) 9.334 10.519 ( -1.477 -8.296 -5.398) 10.007 10.620 ( -5.300 -2.237 2.037) 6.103 10.650 ( -0.450 -8.468 -1.707) 8.650 10.819 ( -2.445 -3.630 -1.317) 4.570 10.940 ( -1.634 -14.307 -3.961) 14.935 10.985 ( -3.935 -13.050 -2.186) 13.805 11.938 ( -1.462 9.616 5.439) 11.144 12.296 ( -6.140 13.280 -3.964) 15.158 12.532 ( -2.941 -6.448 7.655) 10.432 13.141 ( 0.221 -10.510 -7.796) 13.088 13.380 ( -2.715 20.444 6.804) 21.717 14.010 ( -4.328 19.287 -9.691) 22.015 14.336 ( -2.786 -9.511 5.716) 11.441 14.920 ( -2.476 -9.072 -10.601) 14.171 15.289 ( -0.656 2.603 8.422) 8.839 15.472 ( 3.662 0.268 13.613) 14.100 15.833 ( -4.000 12.894 -5.059) 14.416 16.360 ( 4.009 0.609 -8.941) 9.818 16.583 ( 1.627 0.245 7.192) 7.378 16.858 ( 6.153 -6.338 3.982) 9.690 17.058 ( -0.227 -2.535 -4.676) 5.324 17.161 ( 7.423 -4.317 -3.469) 9.261 24.531 ( -0.007 0.778 2.772) 2.879 24.663 ( -0.393 -2.356 2.708) 3.611 24.824 ( 0.299 0.376 -6.690) 6.707 24.850 ( 0.767 1.778 -0.014) 1.936 25.045 ( -0.482 1.286 5.562) 5.729 25.163 ( -0.258 -0.710 9.481) 9.512 25.583 ( -2.070 5.431 -5.394) 7.929 25.716 ( -6.590 1.655 -7.100) 9.827 27.156 ( -2.641 0.216 3.142) 4.110 27.334 ( -1.171 -5.247 2.553) 5.952 27.454 ( -3.343 -1.088 -4.510) 5.719 27.585 ( -2.462 -4.176 -3.008) 5.705 28.013 ( 0.708 8.245 6.429) 10.479 28.358 ( 1.008 6.037 -0.687) 6.159 28.415 ( 0.704 1.660 5.072) 5.383 29.119 ( 4.180 -13.450 -9.897) 17.215 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 6.337 -1.323) 6.474 1.661 ( -0.000 7.058 -5.885) 9.189 1.756 ( 0.000 2.221 2.900) 3.653 1.899 ( 0.000 -5.392 0.364) 5.404 1.992 ( 0.000 1.789 -1.516) 2.345 2.219 ( 0.000 4.407 -2.184) 4.919 2.324 ( -0.000 9.183 0.583) 9.201 2.483 ( -0.000 5.593 -1.017) 5.685 2.605 ( -0.000 2.855 4.680) 5.483 2.683 ( -0.000 7.064 8.641) 11.161 2.689 ( 0.000 19.203 8.778) 21.114 2.958 ( 0.000 4.273 2.449) 4.925 3.179 ( 0.000 -0.257 1.121) 1.151 3.180 ( -0.000 -12.409 -6.881) 14.189 3.283 ( 0.000 -1.987 -4.424) 4.850 3.496 ( 0.000 -1.225 -2.019) 2.362 3.538 ( 0.000 -3.654 2.027) 4.179 3.668 ( 0.000 -0.736 5.526) 5.575 3.721 ( 0.000 -1.841 -0.380) 1.880 3.807 ( 0.000 -11.412 0.621) 11.429 3.914 ( -0.000 1.397 0.110) 1.401 3.925 ( 0.000 3.489 -6.253) 7.161 4.097 ( 0.000 0.653 -4.100) 4.151 4.162 ( 0.000 2.466 6.888) 7.316 4.257 ( -0.000 1.256 -2.957) 3.212 4.309 ( 0.000 -1.615 6.582) 6.777 4.527 ( 0.000 -0.174 0.250) 0.304 4.581 ( 0.000 0.455 -1.646) 1.708 4.878 ( 0.000 2.112 0.221) 2.123 4.937 ( 0.000 3.874 0.226) 3.880 5.030 ( 0.000 5.594 3.667) 6.689 5.038 ( -0.000 1.663 3.896) 4.236 5.205 ( -0.000 -0.901 -0.139) 0.911 5.434 ( 0.000 4.992 -5.072) 7.117 5.562 ( 0.000 -3.845 0.284) 3.856 5.742 ( 0.000 -5.174 -5.406) 7.483 6.850 ( 0.000 0.219 2.957) 2.965 6.886 ( -0.000 0.354 4.854) 4.867 7.110 ( 0.000 0.564 -3.680) 3.723 7.214 ( 0.000 1.786 -4.424) 4.771 7.318 ( -0.000 8.260 4.613) 9.461 7.351 ( 0.000 -2.528 5.436) 5.995 7.676 ( 0.000 -5.173 -3.650) 6.331 7.683 ( 0.000 -4.414 -1.960) 4.830 7.732 ( 0.000 -2.698 0.657) 2.777 7.840 ( 0.000 4.623 -3.195) 5.619 8.004 ( 0.000 0.202 2.122) 2.132 8.142 ( 0.000 0.868 -1.436) 1.678 8.497 ( 0.000 -0.563 4.011) 4.050 8.705 ( 0.000 16.560 4.166) 17.076 8.799 ( 0.000 -1.332 -2.650) 2.966 8.810 ( 0.000 -12.724 3.089) 13.094 9.049 ( 0.000 -11.624 -2.763) 11.948 9.173 ( 0.000 7.622 -5.769) 9.559 9.570 ( 0.000 7.423 6.229) 9.690 10.041 ( 0.000 1.913 -3.971) 4.408 10.113 ( 0.000 -4.455 5.606) 7.160 10.392 ( 0.000 -3.022 -1.089) 3.212 10.512 ( 0.000 -18.836 -4.869) 19.455 10.542 ( -0.000 0.611 4.504) 4.546 10.676 ( 0.000 -5.532 -7.041) 8.954 10.770 ( 0.000 -6.453 2.968) 7.103 10.919 ( 0.000 -0.686 -5.548) 5.590 10.953 ( 0.000 -25.663 -1.560) 25.710 11.923 ( 0.000 9.409 4.257) 10.327 12.231 ( 0.000 13.227 -3.424) 13.663 12.500 ( 0.000 -6.483 7.917) 10.233 13.144 ( 0.000 -12.714 -8.434) 15.257 13.352 ( 0.000 21.042 6.713) 22.087 13.961 ( 0.000 20.213 -9.012) 22.131 14.308 ( 0.000 -9.185 5.665) 10.791 14.896 ( -0.000 -9.173 -10.867) 14.220 15.281 ( 0.000 2.845 7.694) 8.203 15.511 ( -0.000 -0.850 14.965) 14.989 15.786 ( -0.000 14.923 -5.382) 15.864 16.397 ( 0.000 1.790 -7.138) 7.359 16.604 ( 0.000 0.428 5.359) 5.377 16.925 ( 0.000 -7.024 4.169) 8.168 17.056 ( 0.000 -1.825 -4.656) 5.001 17.241 ( 0.000 -4.881 -3.609) 6.071 24.531 ( -0.000 0.668 2.575) 2.661 24.658 ( 0.000 -2.365 3.108) 3.905 24.828 ( -0.000 0.393 -7.172) 7.183 24.859 ( 0.000 1.919 0.615) 2.015 25.040 ( 0.000 1.083 4.294) 4.429 25.160 ( 0.000 -0.795 9.174) 9.209 25.597 ( 0.000 3.927 -7.157) 8.164 25.607 ( -0.000 1.889 -4.298) 4.694 27.128 ( 0.000 0.349 3.155) 3.174 27.323 ( 0.000 -5.855 2.990) 6.575 27.416 ( 0.000 -0.328 -4.849) 4.860 27.559 ( 0.000 -3.925 -2.985) 4.931 28.021 ( 0.000 8.877 5.720) 10.560 28.349 ( 0.000 9.643 -3.119) 10.135 28.440 ( 0.000 -1.296 7.974) 8.079 29.162 ( 0.000 -14.075 -9.757) 17.126 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 9.053 5.054) 10.369 1.631 ( 0.000 -3.312 0.711) 3.387 1.830 ( 0.000 17.421 2.760) 17.638 1.990 ( 0.000 8.273 -3.644) 9.040 2.004 ( 0.000 -4.792 -8.445) 9.710 2.304 ( 0.000 -12.714 3.526) 13.194 2.447 ( 0.000 12.153 -7.449) 14.254 2.579 ( 0.000 14.236 -3.405) 14.638 2.616 ( 0.000 5.264 -2.298) 5.744 2.812 ( 0.000 -2.676 -9.654) 10.018 2.820 ( 0.000 0.714 -3.294) 3.370 2.850 ( 0.000 -4.881 -3.628) 6.082 2.919 ( 0.000 11.009 5.799) 12.443 2.969 ( 0.000 0.469 -2.253) 2.301 3.085 ( 0.000 -7.652 -0.031) 7.652 3.122 ( 0.000 -12.518 0.738) 12.540 3.272 ( 0.000 0.626 7.221) 7.248 3.331 ( 0.000 -5.344 6.306) 8.266 3.480 ( 0.000 14.876 3.657) 15.319 3.529 ( 0.000 -0.597 7.692) 7.715 3.631 ( 0.000 2.092 6.258) 6.598 3.805 ( 0.000 -2.562 4.877) 5.509 3.907 ( 0.000 0.608 2.861) 2.925 3.936 ( 0.000 4.163 10.155) 10.975 3.979 ( 0.000 -5.683 1.289) 5.827 4.053 ( 0.000 -2.617 -2.302) 3.485 4.108 ( 0.000 5.570 -4.046) 6.885 4.221 ( 0.000 -12.143 7.270) 14.154 4.259 ( 0.000 5.773 -0.072) 5.773 4.428 ( 0.000 -8.223 -3.993) 9.141 4.801 ( 0.000 3.898 -7.243) 8.225 4.854 ( 0.000 -1.397 -9.306) 9.410 5.054 ( 0.000 1.989 2.572) 3.251 5.104 ( 0.000 -2.237 2.729) 3.529 5.142 ( 0.000 2.279 -0.509) 2.335 5.181 ( 0.000 -1.135 0.329) 1.182 7.119 ( 0.000 0.857 5.799) 5.862 7.122 ( 0.000 0.878 7.875) 7.924 7.292 ( 0.000 4.856 4.564) 6.664 7.390 ( 0.000 -4.183 5.013) 6.529 7.423 ( 0.000 2.823 -1.180) 3.060 7.527 ( 0.000 -7.256 -1.675) 7.446 7.820 ( 0.000 4.987 -6.883) 8.500 7.911 ( 0.000 -3.664 -5.592) 6.686 7.925 ( 0.000 4.935 1.303) 5.104 8.008 ( 0.000 -2.346 1.587) 2.832 8.107 ( 0.000 8.298 -3.378) 8.960 8.299 ( 0.000 -9.714 -6.851) 11.887 8.476 ( 0.000 4.694 2.484) 5.311 8.617 ( 0.000 -8.690 2.872) 9.152 8.653 ( 0.000 4.793 -2.205) 5.276 8.795 ( 0.000 -9.422 -2.508) 9.750 9.314 ( 0.000 21.703 2.423) 21.838 9.463 ( 0.000 15.682 -2.482) 15.877 9.622 ( 0.000 2.286 0.796) 2.421 9.712 ( 0.000 -12.381 -3.530) 12.874 9.781 ( 0.000 -5.121 5.900) 7.812 9.887 ( 0.000 -18.640 6.901) 19.876 10.516 ( 0.000 0.630 -11.937) 11.954 10.577 ( 0.000 -5.292 -10.197) 11.489 10.850 ( 0.000 2.951 4.094) 5.046 10.946 ( 0.000 -5.685 4.899) 7.504 10.969 ( 0.000 3.060 -0.463) 3.095 11.109 ( 0.000 -8.967 -0.731) 8.997 12.287 ( 0.000 12.151 9.569) 15.467 12.519 ( 0.000 -9.540 6.786) 11.707 13.052 ( 0.000 2.347 -11.026) 11.273 13.086 ( 0.000 -0.802 -7.442) 7.485 14.094 ( 0.000 16.227 9.088) 18.598 14.415 ( 0.000 -14.425 7.384) 16.204 14.725 ( 0.000 16.595 -9.532) 19.138 14.992 ( 0.000 -8.067 -6.764) 10.528 15.182 ( 0.000 -0.302 10.299) 10.303 15.231 ( 0.000 -5.256 4.663) 7.026 15.682 ( 0.000 5.366 -6.026) 8.069 15.802 ( 0.000 -5.880 -7.321) 9.390 16.437 ( 0.000 3.271 5.329) 6.253 16.509 ( 0.000 -3.402 6.938) 7.727 16.789 ( 0.000 8.602 -3.800) 9.404 16.954 ( 0.000 -6.946 -4.603) 8.333 24.575 ( 0.000 2.443 2.529) 3.517 24.632 ( 0.000 -2.881 2.082) 3.555 24.805 ( 0.000 0.127 -4.716) 4.718 24.811 ( 0.000 -0.131 -4.043) 4.045 25.131 ( 0.000 2.148 14.361) 14.521 25.163 ( 0.000 -0.953 12.160) 12.198 26.020 ( 0.000 6.465 -10.992) 12.753 26.145 ( 0.000 -5.074 -14.108) 14.993 27.393 ( 0.000 -1.084 3.653) 3.811 27.401 ( 0.000 -1.773 4.670) 4.996 27.623 ( 0.000 1.197 -2.626) 2.885 27.672 ( 0.000 -3.251 -3.283) 4.621 28.030 ( 0.000 3.651 9.259) 9.953 28.073 ( 0.000 -0.057 5.805) 5.806 28.496 ( 0.000 8.335 -4.791) 9.614 28.655 ( 0.000 -7.246 -7.024) 10.091 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 3.265 8.660 3.545) 9.911 1.663 ( 2.761 -3.345 0.372) 4.354 1.858 ( 0.462 9.035 -0.393) 9.055 1.919 ( -5.290 0.139 -6.264) 8.200 2.058 ( 4.160 11.245 -0.975) 12.030 2.363 ( 1.535 -10.140 1.993) 10.447 2.447 ( 1.125 5.371 -4.615) 7.170 2.572 ( -0.209 8.081 -2.496) 8.460 2.588 ( -1.768 10.567 -2.438) 10.988 2.746 ( -2.411 0.447 -5.198) 5.747 2.809 ( -2.015 2.073 -0.402) 2.919 2.912 ( 5.402 -4.972 -4.188) 8.452 3.008 ( 5.735 3.272 1.636) 6.802 3.043 ( 6.228 0.995 -2.248) 6.696 3.136 ( 4.702 -5.942 0.461) 7.591 3.189 ( 5.703 -9.260 -0.269) 10.879 3.342 ( 6.082 -0.178 7.521) 9.674 3.363 ( 1.996 -2.816 7.171) 7.958 3.498 ( 1.794 6.010 3.868) 7.369 3.602 ( 8.461 1.182 3.291) 9.155 3.658 ( 1.122 3.406 3.168) 4.785 3.790 ( -0.367 -2.092 4.545) 5.017 3.928 ( 2.522 2.936 9.911) 10.640 4.029 ( 7.287 -0.282 5.350) 9.045 4.080 ( 8.260 0.441 0.070) 8.272 4.110 ( 2.908 3.165 -1.868) 4.686 4.161 ( 5.584 1.422 -2.632) 6.335 4.299 ( 4.730 -0.330 1.452) 4.959 4.344 ( 11.976 -6.899 2.562) 14.056 4.474 ( 4.666 -7.401 -3.773) 9.528 4.776 ( -1.696 5.080 -6.923) 8.753 4.864 ( 1.102 -2.758 -7.875) 8.416 5.044 ( -0.464 3.424 2.799) 4.447 5.091 ( -0.834 0.663 3.124) 3.301 5.159 ( 1.655 0.132 -0.158) 1.667 5.211 ( 2.487 -3.552 -0.733) 4.397 7.046 ( -4.937 2.972 6.638) 8.791 7.082 ( -3.058 -0.605 5.497) 6.320 7.348 ( 2.614 2.993 3.663) 5.405 7.408 ( 0.803 -2.507 4.968) 5.622 7.415 ( -0.488 2.238 -0.770) 2.417 7.487 ( -3.645 -4.317 -2.941) 6.369 7.794 ( -3.144 3.513 -5.682) 7.383 7.874 ( -3.844 -2.255 -4.296) 6.190 7.898 ( -2.934 2.663 -0.239) 3.969 7.976 ( -1.869 -1.312 1.670) 2.829 8.073 ( -2.758 6.050 -3.218) 7.386 8.203 ( -4.504 -4.412 -4.254) 7.606 8.478 ( -0.006 3.915 3.353) 5.155 8.609 ( -0.377 -8.526 2.829) 8.991 8.741 ( 4.996 -1.456 -3.063) 6.038 8.817 ( 1.777 -7.899 -3.181) 8.699 9.307 ( -0.799 22.487 2.829) 22.678 9.482 ( 1.450 16.174 -3.139) 16.539 9.644 ( 2.078 4.596 1.565) 5.281 9.744 ( 2.842 -14.523 -2.064) 14.942 9.823 ( 3.263 -6.353 5.138) 8.798 9.901 ( 1.130 -17.992 5.755) 18.924 10.498 ( -1.019 0.445 -10.121) 10.182 10.571 ( -1.055 -7.489 -10.038) 12.568 10.800 ( -4.411 2.597 3.999) 6.495 10.876 ( -5.316 -3.224 3.449) 7.110 10.960 ( -1.758 1.507 0.046) 2.317 11.077 ( -3.089 -7.954 -1.477) 8.660 12.266 ( -1.989 11.998 8.751) 14.982 12.494 ( -2.262 -9.440 6.608) 11.743 12.950 ( -8.379 6.052 -9.131) 13.792 13.056 ( -3.138 -3.986 -7.334) 8.918 14.002 ( -7.117 16.661 7.815) 19.731 14.322 ( -7.200 -13.839 6.844) 17.036 14.628 ( -7.171 16.024 -10.000) 20.204 14.926 ( -6.535 -12.221 -9.979) 17.077 15.252 ( 4.624 -0.266 10.951) 11.890 15.259 ( 4.737 -0.680 9.771) 10.880 15.859 ( 13.629 3.978 -6.918) 15.793 15.944 ( 9.787 -3.782 -8.212) 13.324 16.480 ( 3.819 1.715 5.269) 6.730 16.527 ( 1.850 -2.489 6.759) 7.437 16.821 ( 3.305 6.623 -3.588) 8.226 16.960 ( 0.607 -6.288 -4.489) 7.749 24.572 ( -0.254 2.383 2.604) 3.539 24.628 ( -0.351 -2.843 2.162) 3.588 24.811 ( 0.492 0.293 -4.877) 4.910 24.819 ( 0.713 -0.257 -4.323) 4.389 25.124 ( -0.595 2.266 13.455) 13.658 25.160 ( -0.348 -1.090 11.805) 11.860 25.962 ( -5.349 5.404 -10.120) 12.658 26.053 ( -7.698 -2.731 -12.149) 14.640 27.337 ( -4.250 0.229 3.736) 5.663 27.366 ( -3.252 -2.486 4.077) 5.778 27.591 ( -2.751 0.503 -3.397) 4.400 27.636 ( -3.150 -3.573 -3.170) 5.722 28.067 ( 3.081 4.580 8.320) 9.985 28.131 ( 4.851 -1.065 6.120) 7.881 28.542 ( 3.153 6.897 -4.864) 9.010 28.687 ( 3.084 -6.960 -6.940) 10.301 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 4.578 7.044 0.066) 8.402 1.727 ( 2.641 -2.159 -1.014) 3.558 1.779 ( -5.606 4.939 -3.415) 8.215 1.852 ( -1.885 -1.381 -1.974) 3.059 2.122 ( 1.150 11.194 0.751) 11.278 2.314 ( -3.310 -2.329 0.735) 4.113 2.449 ( -2.066 -1.135 -2.801) 3.661 2.547 ( -0.575 0.496 -3.305) 3.391 2.642 ( 4.533 13.704 -0.807) 14.457 2.755 ( 2.763 3.365 -4.394) 6.186 2.809 ( 1.456 4.544 2.943) 5.606 2.971 ( 1.292 -12.248 -1.959) 12.471 3.077 ( 1.022 3.744 2.414) 4.570 3.185 ( 4.610 1.670 0.296) 4.912 3.236 ( 2.152 -4.548 6.676) 8.359 3.321 ( 6.236 -6.406 -0.459) 8.951 3.406 ( 3.820 1.165 2.944) 4.961 3.469 ( 3.988 -5.907 6.296) 9.509 3.604 ( 6.308 4.231 1.975) 7.848 3.655 ( -0.004 0.744 0.924) 1.187 3.771 ( 3.595 1.720 1.467) 4.246 3.849 ( 7.620 -3.497 -3.019) 8.911 4.043 ( 7.295 7.979 10.169) 14.842 4.152 ( 2.313 1.193 -1.638) 3.075 4.178 ( 0.770 0.087 -4.899) 4.960 4.206 ( 8.518 -5.250 5.758) 11.544 4.380 ( 10.885 3.929 0.451) 11.581 4.413 ( 6.038 2.230 0.370) 6.448 4.655 ( 13.143 -1.566 -2.235) 13.423 4.697 ( 17.831 -5.634 -0.029) 18.700 4.779 ( 3.954 8.317 -4.000) 10.041 4.923 ( 4.772 -3.414 -4.554) 7.427 5.051 ( 1.419 3.147 3.576) 4.970 5.102 ( 3.257 -0.722 3.755) 5.023 5.225 ( 5.239 0.008 -0.742) 5.291 5.291 ( 5.880 -5.674 -2.215) 8.466 6.953 ( -3.699 3.620 5.037) 7.222 7.008 ( -3.829 -1.637 4.914) 6.442 7.343 ( -2.764 1.576 -1.918) 3.715 7.371 ( -6.362 -0.094 -3.571) 7.297 7.399 ( -1.935 1.396 2.340) 3.342 7.412 ( -0.997 -0.033 3.094) 3.251 7.689 ( -5.445 -1.074 -3.290) 6.452 7.735 ( -7.982 -4.854 -3.950) 10.142 7.837 ( -2.005 6.089 2.047) 6.729 7.966 ( 0.485 -2.930 1.170) 3.192 8.036 ( -0.545 6.702 -3.001) 7.364 8.166 ( -0.378 -3.287 -3.082) 4.521 8.478 ( 0.069 2.799 4.258) 5.096 8.596 ( -0.782 -8.866 3.517) 9.570 8.802 ( 0.695 -3.430 -2.850) 4.513 8.848 ( 0.652 -6.458 -4.136) 7.697 9.278 ( -1.878 24.725 3.080) 24.986 9.504 ( 0.516 18.776 -3.791) 19.161 9.700 ( 2.790 7.518 3.535) 8.763 9.808 ( 2.665 -21.018 0.979) 21.208 9.890 ( 2.775 -9.956 2.759) 10.697 9.926 ( 1.252 -14.814 3.732) 15.328 10.487 ( -0.422 -1.928 -8.079) 8.317 10.526 ( -2.649 -7.417 -8.639) 11.690 10.690 ( -5.265 0.695 4.041) 6.674 10.743 ( -6.927 -2.812 3.775) 8.375 10.906 ( -2.985 2.132 -2.499) 4.438 10.989 ( -4.764 -5.387 -2.737) 7.694 12.212 ( -2.834 11.473 6.965) 13.717 12.432 ( -3.349 -9.206 6.243) 11.617 12.754 ( -9.135 11.290 -6.692) 15.990 12.970 ( -4.463 -9.271 -6.911) 12.395 13.859 ( -5.634 17.039 6.657) 19.141 14.178 ( -5.617 -13.511 6.225) 15.902 14.484 ( -6.014 15.694 -10.559) 19.849 14.782 ( -5.975 -12.727 -10.711) 17.675 15.335 ( 2.544 2.085 11.963) 12.407 15.371 ( 4.837 -0.950 12.485) 13.423 16.071 ( 4.440 6.044 -7.972) 10.945 16.160 ( 10.325 -2.692 -9.419) 14.233 16.559 ( 3.159 1.452 6.710) 7.557 16.610 ( 5.851 -3.215 5.143) 8.428 16.934 ( 7.003 0.902 -3.484) 7.873 16.984 ( 1.809 -3.623 -4.217) 5.846 24.566 ( -0.336 2.207 2.758) 3.549 24.619 ( -0.506 -2.744 2.421) 3.694 24.824 ( 0.709 0.597 -5.457) 5.535 24.838 ( 0.997 -0.480 -4.552) 4.684 25.108 ( -0.866 2.501 11.366) 11.670 25.150 ( -0.558 -1.410 10.841) 10.946 25.813 ( -7.846 4.636 -7.963) 12.102 25.878 ( -8.178 -1.300 -9.139) 12.333 27.244 ( -4.165 1.213 3.482) 5.563 27.291 ( -3.399 -3.269 3.515) 5.882 27.519 ( -3.723 0.337 -3.958) 5.444 27.561 ( -3.504 -3.631 -3.380) 6.074 28.138 ( 3.260 6.658 6.828) 10.079 28.244 ( 5.319 -3.130 6.204) 8.751 28.585 ( 0.860 8.222 -4.757) 9.538 28.772 ( 4.265 -9.572 -6.691) 12.433 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -2.808 6.329 -2.254) 7.281 1.710 ( 3.092 4.348 -3.612) 6.443 1.777 ( 1.295 -1.086 -2.326) 2.875 1.809 ( -2.038 -4.880 -1.786) 5.582 2.114 ( -1.132 8.146 1.632) 8.385 2.281 ( 0.098 -4.338 3.308) 5.456 2.402 ( -1.808 5.124 -2.984) 6.199 2.549 ( 0.400 -0.481 -3.870) 3.920 2.725 ( 3.386 11.200 -0.611) 11.716 2.819 ( 1.247 3.104 -1.360) 3.611 2.849 ( 3.400 0.776 -0.634) 3.545 2.981 ( -0.593 -11.088 -2.450) 11.371 3.089 ( 0.589 10.320 6.119) 12.012 3.208 ( -3.138 1.449 9.341) 9.960 3.226 ( 0.449 -1.501 4.297) 4.573 3.440 ( 4.646 -5.998 0.405) 7.598 3.480 ( 1.998 0.515 0.050) 2.064 3.522 ( 0.909 -8.974 4.639) 10.143 3.654 ( 1.581 1.417 2.225) 3.076 3.688 ( 1.111 -1.559 2.446) 3.106 3.875 ( 5.387 4.845 -4.605) 8.585 3.958 ( 2.509 -2.414 -5.101) 6.176 4.151 ( -1.706 1.224 -4.240) 4.731 4.155 ( 1.813 1.874 5.215) 5.831 4.221 ( 3.707 2.431 -0.987) 4.542 4.306 ( 0.973 -4.070 5.136) 6.625 4.512 ( 3.324 1.530 -1.526) 3.965 4.533 ( 3.916 -0.265 0.237) 3.933 4.908 ( 4.241 2.175 -0.172) 4.769 4.932 ( 9.116 5.085 -0.639) 10.458 4.961 ( 7.016 1.940 -0.297) 7.285 5.061 ( 7.695 -1.638 -1.618) 8.032 5.110 ( 4.788 5.089 5.020) 8.604 5.277 ( 11.124 -8.006 3.969) 14.269 5.395 ( 10.657 3.279 -2.547) 11.437 5.497 ( 12.271 -5.698 -2.932) 13.843 6.892 ( -2.084 2.300 3.558) 4.721 6.928 ( -3.378 -1.058 4.246) 5.528 7.221 ( -6.270 3.287 -4.827) 8.569 7.264 ( -4.229 -0.561 -4.585) 6.262 7.348 ( -2.322 0.253 3.725) 4.397 7.385 ( -1.422 -2.015 3.322) 4.138 7.604 ( -2.811 -3.590 -2.678) 5.288 7.609 ( -3.192 -3.896 -2.628) 5.681 7.808 ( -0.983 8.622 2.446) 9.016 7.970 ( -0.347 -3.892 1.514) 4.191 8.022 ( -1.135 7.088 -2.792) 7.703 8.149 ( -1.468 -3.037 -2.292) 4.078 8.480 ( 0.130 1.596 4.190) 4.486 8.581 ( -0.494 -8.512 3.537) 9.231 8.780 ( -2.225 -1.657 -2.882) 4.000 8.843 ( -0.688 -7.156 -3.255) 7.892 9.237 ( -1.698 27.420 3.286) 27.669 9.509 ( 0.086 21.003 -4.101) 21.400 9.737 ( 0.483 8.225 6.443) 10.459 9.852 ( 1.721 -28.047 1.171) 28.124 9.935 ( 1.440 -14.436 -1.624) 14.598 9.951 ( 0.850 -10.255 5.197) 11.528 10.433 ( -3.341 -1.237 -8.137) 8.882 10.512 ( 0.051 -6.366 -6.746) 9.276 10.602 ( -3.295 -1.377 4.280) 5.574 10.621 ( -3.383 -3.179 3.846) 6.029 10.843 ( -2.723 2.494 -3.704) 5.231 10.907 ( -2.474 -3.135 -4.246) 5.830 12.158 ( -2.003 10.766 5.364) 12.194 12.367 ( -2.474 -8.965 5.983) 11.058 12.597 ( -5.414 14.411 -5.462) 16.335 12.888 ( -3.010 -13.305 -6.838) 15.259 13.777 ( -2.332 17.255 6.302) 18.517 14.096 ( -2.310 -13.412 5.944) 14.851 14.385 ( -3.317 16.437 -10.201) 19.628 14.691 ( -2.719 -12.889 -10.738) 16.994 15.361 ( 0.282 4.056 11.754) 12.437 15.441 ( 1.858 -3.078 14.004) 14.459 16.107 ( 0.096 12.448 -8.208) 14.911 16.311 ( 4.111 -6.221 -10.056) 12.520 16.619 ( 2.319 3.594 6.862) 8.086 16.725 ( 4.361 -6.110 5.139) 9.097 17.030 ( 2.140 0.360 -4.097) 4.636 17.075 ( 5.420 -3.590 -3.736) 7.498 24.560 ( -0.211 1.987 2.856) 3.486 24.609 ( -0.356 -2.632 2.816) 3.871 24.837 ( 0.496 0.897 -5.979) 6.066 24.857 ( 0.747 -0.725 -4.473) 4.592 25.091 ( -0.636 2.648 9.345) 9.733 25.138 ( -0.466 -1.713 9.715) 9.875 25.678 ( -4.319 3.536 -6.193) 8.337 25.725 ( -5.925 -0.924 -7.040) 9.248 27.174 ( -2.324 1.755 3.259) 4.370 27.234 ( -1.872 -3.999 3.237) 5.475 27.452 ( -2.413 1.044 -4.054) 4.832 27.500 ( -2.102 -3.521 -3.531) 5.411 28.194 ( 1.910 8.342 5.679) 10.271 28.336 ( 3.135 -4.885 6.061) 8.392 28.589 ( -0.227 11.312 -4.365) 12.127 28.842 ( 2.211 -12.853 -6.421) 14.537 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.000 6.404 -1.782) 6.647 1.758 ( 0.000 2.663 -5.914) 6.486 1.768 ( -0.000 -3.502 -2.136) 4.102 1.793 ( 0.000 -2.402 -2.196) 3.254 2.101 ( 0.000 7.946 2.410) 8.303 2.289 ( 0.000 -8.934 5.592) 10.540 2.381 ( 0.000 10.627 -4.152) 11.410 2.554 ( 0.000 -1.174 -3.732) 3.912 2.774 ( -0.000 8.928 -2.110) 9.174 2.813 ( 0.000 4.347 2.015) 4.791 2.921 ( -0.000 -7.606 -5.853) 9.597 2.948 ( 0.000 -4.487 -2.041) 4.929 3.102 ( -0.000 18.028 9.412) 20.337 3.161 ( 0.000 -0.401 9.314) 9.322 3.228 ( -0.000 -2.589 5.616) 6.184 3.496 ( 0.000 -5.119 0.419) 5.136 3.507 ( 0.000 0.429 0.248) 0.496 3.513 ( -0.000 -10.575 3.982) 11.299 3.681 ( -0.000 0.858 3.514) 3.617 3.695 ( 0.000 -0.776 0.405) 0.875 3.949 ( -0.000 1.841 -4.578) 4.935 3.972 ( 0.000 0.340 -6.231) 6.240 4.122 ( 0.000 1.991 -4.157) 4.610 4.166 ( 0.000 -1.610 -0.454) 1.673 4.284 ( -0.000 0.823 3.652) 3.743 4.292 ( 0.000 -0.293 5.803) 5.811 4.545 ( 0.000 1.404 -0.992) 1.719 4.572 ( 0.000 -0.977 -1.161) 1.517 4.938 ( 0.000 3.502 0.552) 3.545 5.013 ( 0.000 -3.143 2.070) 3.763 5.030 ( 0.000 5.257 -2.474) 5.810 5.142 ( 0.000 -4.850 -1.786) 5.169 5.203 ( 0.000 10.217 6.173) 11.937 5.417 ( 0.000 -9.453 4.358) 10.410 5.549 ( -0.000 5.600 -3.457) 6.581 5.652 ( 0.000 -4.179 -2.935) 5.106 6.869 ( 0.000 1.272 2.911) 3.177 6.888 ( -0.000 -0.331 3.929) 3.943 7.149 ( 0.000 3.045 -4.396) 5.348 7.210 ( -0.000 -2.027 -5.469) 5.833 7.321 ( 0.000 0.211 3.719) 3.725 7.368 ( -0.000 -2.839 3.781) 4.728 7.573 ( -0.000 -3.451 -2.422) 4.216 7.581 ( 0.000 -3.265 -3.075) 4.486 7.796 ( 0.000 9.098 2.663) 9.480 7.963 ( 0.000 -5.019 2.405) 5.565 8.004 ( 0.000 8.201 -3.303) 8.841 8.126 ( 0.000 -3.027 -1.925) 3.587 8.482 ( 0.000 1.051 4.007) 4.143 8.577 ( 0.000 -8.484 3.382) 9.133 8.749 ( 0.000 0.295 -2.638) 2.655 8.834 ( 0.000 -7.907 -2.857) 8.407 9.218 ( 0.000 28.563 3.449) 28.770 9.510 ( 0.000 21.514 -4.238) 21.927 9.737 ( 0.000 5.897 7.195) 9.303 9.873 ( 0.000 -28.316 0.419) 28.319 9.951 ( 0.000 -15.614 -2.151) 15.762 9.959 ( 0.000 -9.434 5.645) 10.994 10.394 ( 0.000 0.729 -7.870) 7.904 10.503 ( 0.000 -6.758 -4.752) 8.261 10.572 ( 0.000 -1.068 2.276) 2.514 10.591 ( 0.000 -4.816 3.871) 6.179 10.811 ( 0.000 3.519 -3.496) 4.960 10.883 ( 0.000 -2.878 -5.093) 5.850 12.136 ( 0.000 10.423 4.724) 11.443 12.339 ( 0.000 -8.849 5.907) 10.640 12.538 ( 0.000 15.398 -5.135) 16.232 12.855 ( 0.000 -14.773 -6.879) 16.296 13.754 ( 0.000 17.354 6.212) 18.433 14.073 ( 0.000 -13.337 5.863) 14.569 14.349 ( 0.000 16.937 -9.829) 19.582 14.663 ( 0.000 -13.172 -10.666) 16.949 15.362 ( 0.000 4.692 11.546) 12.463 15.458 ( 0.000 -4.034 14.437) 14.991 16.104 ( 0.000 14.690 -8.211) 16.829 16.351 ( 0.000 -7.622 -10.225) 12.753 16.645 ( 0.000 4.428 6.874) 8.177 16.773 ( 0.000 -7.175 5.252) 8.892 17.055 ( 0.000 2.157 -4.096) 4.629 17.135 ( 0.000 -4.927 -3.881) 6.272 24.557 ( 0.000 1.883 2.870) 3.433 24.605 ( 0.000 -2.580 3.036) 3.985 24.843 ( 0.000 1.039 -6.145) 6.232 24.865 ( 0.000 -0.846 -4.369) 4.450 25.084 ( 0.000 2.669 8.502) 8.911 25.133 ( 0.000 -1.831 9.194) 9.375 25.643 ( 0.000 1.252 -5.376) 5.520 25.649 ( -0.000 0.943 -6.482) 6.550 27.150 ( 0.000 1.955 3.167) 3.722 27.214 ( 0.000 -4.273 3.160) 5.315 27.425 ( 0.000 1.412 -4.058) 4.296 27.478 ( 0.000 -3.491 -3.545) 4.975 28.214 ( 0.000 8.947 5.253) 10.375 28.370 ( 0.000 -5.585 5.992) 8.191 28.585 ( 0.000 12.637 -4.177) 13.309 28.865 ( 0.000 -14.067 -6.287) 15.408 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 0.000 23.900) 23.900 1.031 ( 0.000 0.000 26.594) 26.594 1.388 ( 0.000 0.000 -13.292) 13.292 1.499 ( 0.000 0.000 -22.453) 22.453 1.715 ( 0.000 0.000 15.539) 15.539 1.789 ( 0.000 0.000 6.295) 6.295 1.860 ( 0.000 0.000 -4.113) 4.113 1.900 ( 0.000 0.000 -5.647) 5.647 2.240 ( 0.000 0.000 25.447) 25.447 2.734 ( 0.000 0.000 5.451) 5.451 2.767 ( 0.000 0.000 -19.725) 19.725 2.836 ( 0.000 0.000 -5.313) 5.313 2.916 ( 0.000 0.000 2.582) 2.582 2.990 ( 0.000 0.000 -5.692) 5.692 3.020 ( 0.000 0.000 -1.706) 1.706 3.058 ( 0.000 0.000 -9.401) 9.401 3.419 ( 0.000 0.000 8.269) 8.269 3.561 ( 0.000 0.000 -3.074) 3.074 3.671 ( 0.000 0.000 1.647) 1.647 3.738 ( 0.000 0.000 4.260) 4.260 3.769 ( 0.000 0.000 -5.531) 5.531 3.798 ( 0.000 0.000 -0.340) 0.340 3.915 ( 0.000 0.000 2.557) 2.557 3.961 ( 0.000 0.000 -2.691) 2.691 3.993 ( 0.000 0.000 10.997) 10.997 4.184 ( 0.000 0.000 -6.661) 6.661 4.194 ( 0.000 0.000 6.713) 6.713 4.320 ( 0.000 0.000 -6.353) 6.353 4.775 ( 0.000 0.000 4.075) 4.075 4.822 ( 0.000 0.000 0.063) 0.063 4.831 ( 0.000 0.000 -1.089) 1.089 4.865 ( 0.000 0.000 -5.456) 5.456 5.080 ( 0.000 0.000 2.194) 2.194 5.102 ( 0.000 0.000 1.508) 1.508 5.120 ( 0.000 0.000 -0.285) 0.285 5.133 ( 0.000 0.000 -4.048) 4.048 6.975 ( 0.000 0.000 3.947) 3.947 7.054 ( 0.000 0.000 -4.218) 4.218 7.198 ( 0.000 0.000 8.911) 8.911 7.262 ( 0.000 0.000 9.407) 9.407 7.345 ( 0.000 0.000 -6.774) 6.774 7.447 ( 0.000 0.000 -9.510) 9.510 7.730 ( 0.000 0.000 1.510) 1.510 7.758 ( 0.000 0.000 -1.336) 1.336 7.924 ( 0.000 0.000 3.615) 3.615 7.995 ( 0.000 0.000 -3.627) 3.627 8.264 ( 0.000 0.000 7.430) 7.430 8.395 ( 0.000 0.000 -6.206) 6.206 8.435 ( 0.000 0.000 2.913) 2.913 8.484 ( 0.000 0.000 -1.952) 1.952 8.709 ( 0.000 0.000 7.684) 7.684 8.855 ( 0.000 0.000 -7.029) 7.029 9.172 ( 0.000 0.000 11.230) 11.230 9.401 ( 0.000 0.000 -12.395) 12.395 9.563 ( 0.000 0.000 1.042) 1.042 9.583 ( 0.000 0.000 -1.048) 1.048 10.129 ( 0.000 0.000 8.245) 8.245 10.324 ( 0.000 0.000 -11.973) 11.973 10.603 ( 0.000 0.000 0.206) 0.206 10.603 ( 0.000 0.000 0.116) 0.116 11.194 ( 0.000 0.000 4.712) 4.712 11.288 ( 0.000 0.000 -4.955) 4.955 11.330 ( 0.000 0.000 7.129) 7.129 11.454 ( 0.000 0.000 -5.801) 5.801 12.595 ( 0.000 0.000 -0.030) 0.030 12.598 ( 0.000 0.000 -0.366) 0.366 12.870 ( 0.000 0.000 5.037) 5.037 12.967 ( 0.000 0.000 -4.945) 4.945 13.312 ( 0.000 0.000 10.187) 10.187 13.502 ( 0.000 0.000 -9.467) 9.467 15.054 ( 0.000 0.000 8.436) 8.436 15.219 ( 0.000 0.000 -8.519) 8.519 15.251 ( 0.000 0.000 9.291) 9.291 15.449 ( 0.000 0.000 -11.508) 11.508 15.942 ( 0.000 0.000 1.233) 1.233 15.972 ( 0.000 0.000 -1.846) 1.846 16.377 ( 0.000 0.000 1.939) 1.939 16.405 ( 0.000 0.000 -1.044) 1.044 16.829 ( 0.000 0.000 11.364) 11.364 17.023 ( 0.000 0.000 -8.976) 8.976 24.612 ( 0.000 0.000 6.047) 6.047 24.734 ( 0.000 0.000 -6.702) 6.702 24.762 ( 0.000 0.000 2.153) 2.153 24.820 ( 0.000 0.000 -4.002) 4.002 25.366 ( 0.000 0.000 11.496) 11.496 25.368 ( 0.000 0.000 4.759) 4.759 25.441 ( 0.000 0.000 -2.918) 2.918 25.583 ( 0.000 0.000 -11.052) 11.052 27.642 ( 0.000 0.000 5.283) 5.283 27.725 ( 0.000 0.000 1.815) 1.815 27.746 ( 0.000 0.000 -0.487) 0.487 27.752 ( 0.000 0.000 -6.133) 6.133 27.852 ( 0.000 0.000 1.119) 1.119 27.883 ( 0.000 0.000 -2.001) 2.001 28.576 ( 0.000 0.000 6.733) 6.733 28.698 ( 0.000 0.000 -5.911) 5.911 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 12.089 0.000 18.348) 21.972 1.183 ( 8.549 0.000 16.869) 18.911 1.469 ( 8.264 0.000 -8.182) 11.630 1.516 ( -0.261 0.000 -13.762) 13.764 1.778 ( 1.385 0.000 8.107) 8.224 1.831 ( 7.294 0.000 5.061) 8.878 1.889 ( 1.090 0.000 -4.158) 4.299 1.928 ( 4.564 0.000 -6.198) 7.697 2.347 ( 9.698 0.000 28.247) 29.865 2.749 ( 1.860 0.000 1.434) 2.348 2.804 ( -0.924 0.000 -10.668) 10.708 2.820 ( 1.772 0.000 -4.689) 5.012 2.963 ( -0.284 0.000 2.227) 2.245 3.093 ( 9.230 0.000 -11.051) 14.398 3.108 ( 10.348 0.000 -2.298) 10.600 3.111 ( 8.941 0.000 -7.125) 11.432 3.415 ( -0.053 0.000 9.878) 9.878 3.598 ( 2.766 0.000 -7.943) 8.411 3.651 ( 1.252 0.000 3.092) 3.336 3.735 ( 0.295 0.000 -4.739) 4.748 3.749 ( -4.195 0.000 5.061) 6.574 3.787 ( -0.627 0.000 0.879) 1.079 3.975 ( 3.062 0.000 3.191) 4.422 3.987 ( 2.472 0.000 -0.083) 2.473 4.184 ( 14.859 0.000 4.142) 15.425 4.215 ( 7.134 0.000 3.912) 8.136 4.341 ( 1.980 0.000 -2.103) 2.889 4.344 ( 11.168 0.000 -3.632) 11.744 4.624 ( -16.534 0.000 6.915) 17.922 4.688 ( -8.187 0.000 -1.162) 8.269 4.851 ( 1.382 0.000 0.961) 1.683 4.872 ( 0.492 0.000 -1.008) 1.122 4.930 ( -1.215 0.000 -0.750) 1.428 4.972 ( -6.424 0.000 -4.772) 8.003 5.186 ( 3.104 0.000 4.401) 5.385 5.293 ( 6.703 0.000 -7.235) 9.862 6.913 ( -4.291 0.000 5.653) 7.098 7.017 ( -2.747 0.000 -5.230) 5.908 7.219 ( 1.007 0.000 8.140) 8.202 7.254 ( -0.968 0.000 8.974) 9.026 7.338 ( -1.254 0.000 -5.508) 5.649 7.451 ( 0.263 0.000 -10.149) 10.152 7.702 ( -2.047 0.000 2.377) 3.137 7.739 ( -1.147 0.000 -1.737) 2.082 7.966 ( 3.022 0.000 2.656) 4.024 8.018 ( 1.616 0.000 -2.390) 2.885 8.054 ( -10.952 0.000 4.670) 11.906 8.095 ( -8.518 0.000 0.124) 8.519 8.614 ( -5.527 0.000 10.094) 11.508 8.681 ( 13.618 0.000 12.400) 18.417 8.791 ( -5.031 0.000 -7.532) 9.058 8.934 ( 15.067 0.000 -10.844) 18.563 9.305 ( 8.595 0.000 1.436) 8.714 9.461 ( 4.202 0.000 -10.775) 11.565 9.579 ( 0.122 0.000 -0.915) 0.923 9.579 ( 2.665 0.000 -1.246) 2.942 10.145 ( 1.444 0.000 8.304) 8.428 10.337 ( 1.318 0.000 -11.534) 11.609 10.565 ( -3.311 0.000 0.549) 3.356 10.572 ( -2.741 0.000 -0.194) 2.748 11.241 ( 3.570 0.000 4.549) 5.783 11.245 ( -7.639 0.000 6.312) 9.909 11.344 ( 4.616 0.000 -4.603) 6.519 11.373 ( -6.797 0.000 -5.455) 8.715 12.337 ( -16.109 0.000 6.058) 17.211 12.421 ( -12.039 0.000 -3.381) 12.505 12.975 ( 3.398 0.000 7.218) 7.978 13.089 ( 7.415 0.000 -4.500) 8.673 13.190 ( -9.894 0.000 8.486) 13.035 13.369 ( -8.765 0.000 -9.840) 13.178 15.002 ( -7.560 0.000 9.855) 12.420 15.208 ( -6.470 0.000 -11.165) 12.905 15.288 ( 6.690 0.000 9.003) 11.216 15.422 ( 1.279 0.000 -3.668) 3.884 15.874 ( -5.928 0.000 1.658) 6.155 15.951 ( -0.337 0.000 -7.880) 7.887 16.554 ( 14.254 0.000 3.101) 14.587 16.612 ( 15.896 0.000 -2.970) 16.171 16.835 ( 0.217 0.000 10.952) 10.954 17.024 ( -0.114 0.000 -8.791) 8.792 24.610 ( -0.211 0.000 5.827) 5.831 24.728 ( -0.670 0.000 -6.599) 6.633 24.759 ( -0.125 0.000 2.026) 2.030 24.804 ( -0.859 0.000 -2.344) 2.496 25.255 ( -5.915 0.000 8.791) 10.596 25.381 ( -4.157 0.000 -4.792) 6.344 25.393 ( -0.244 0.000 11.216) 11.219 25.602 ( 0.526 0.000 -10.612) 10.625 27.445 ( -8.925 0.000 2.843) 9.367 27.496 ( -9.057 0.000 -2.233) 9.328 27.744 ( -2.730 0.000 1.474) 3.103 27.773 ( -1.841 0.000 -1.481) 2.363 28.029 ( 12.098 0.000 6.007) 13.507 28.077 ( 3.626 0.000 2.432) 4.366 28.625 ( -5.377 0.000 -1.608) 5.613 28.693 ( 11.141 0.000 -11.160) 15.769 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 3.195 0.000 5.544) 6.398 1.368 ( 2.075 0.000 -0.795) 2.222 1.584 ( 12.393 0.000 7.203) 14.334 1.699 ( 11.884 0.000 0.952) 11.922 1.800 ( 2.450 0.000 4.762) 5.355 1.909 ( 1.352 0.000 -4.407) 4.610 2.003 ( 6.952 0.000 -0.241) 6.956 2.036 ( 4.240 0.000 -2.920) 5.148 2.516 ( 3.403 0.000 17.126) 17.461 2.662 ( -7.950 0.000 2.947) 8.479 2.798 ( -2.170 0.000 -6.602) 6.950 2.832 ( 2.692 0.000 -11.386) 11.699 3.141 ( 10.767 0.000 8.678) 13.829 3.241 ( 0.628 0.000 6.680) 6.709 3.242 ( 3.106 0.000 -1.768) 3.574 3.442 ( 13.667 0.000 -14.009) 19.571 3.537 ( 15.347 0.000 6.568) 16.693 3.676 ( -1.681 0.000 5.187) 5.452 3.713 ( 3.220 0.000 1.431) 3.523 3.719 ( 12.868 0.000 -10.493) 16.604 3.749 ( -0.065 0.000 0.398) 0.403 3.783 ( 3.657 0.000 -3.427) 5.012 4.012 ( 0.482 0.000 1.845) 1.907 4.021 ( 1.237 0.000 -0.719) 1.430 4.233 ( -10.003 0.000 11.412) 15.176 4.424 ( 1.324 0.000 -4.850) 5.027 4.469 ( -0.426 0.000 1.212) 1.285 4.492 ( 9.601 0.000 5.111) 10.877 4.512 ( 6.294 0.000 1.825) 6.553 4.596 ( 8.191 0.000 -4.187) 9.199 4.860 ( 0.901 0.000 1.244) 1.536 4.887 ( 1.083 0.000 -1.346) 1.728 4.987 ( 7.044 0.000 -3.543) 7.885 4.987 ( 7.878 0.000 -3.306) 8.543 5.269 ( 5.019 0.000 7.030) 8.638 5.433 ( 7.222 0.000 -10.388) 12.652 6.849 ( -1.093 0.000 6.774) 6.862 6.973 ( -0.873 0.000 -6.136) 6.198 7.197 ( -3.557 0.000 4.320) 5.596 7.233 ( -0.666 0.000 11.877) 11.896 7.281 ( -4.101 0.000 -4.312) 5.951 7.452 ( -0.326 0.000 -10.933) 10.938 7.656 ( -2.318 0.000 4.491) 5.054 7.721 ( -0.621 0.000 -2.840) 2.907 7.902 ( -4.340 0.000 3.276) 5.438 7.943 ( -5.625 0.000 -0.978) 5.709 8.024 ( 1.752 0.000 1.571) 2.353 8.056 ( 1.358 0.000 -1.720) 2.191 8.501 ( -4.567 0.000 10.223) 11.197 8.682 ( -4.667 0.000 -8.389) 9.600 8.890 ( 5.767 0.000 14.835) 15.917 9.131 ( 5.314 0.000 -6.411) 8.327 9.377 ( 0.242 0.000 3.507) 3.516 9.494 ( -1.559 0.000 -2.882) 3.277 9.621 ( 3.292 0.000 -7.202) 7.919 9.639 ( -0.848 0.000 -8.075) 8.119 10.181 ( 1.699 0.000 8.886) 9.047 10.377 ( 2.182 0.000 -11.227) 11.437 10.488 ( -3.153 0.000 1.153) 3.357 10.512 ( -2.191 0.000 -1.427) 2.614 11.029 ( -11.923 0.000 6.395) 13.530 11.146 ( -10.700 0.000 -5.568) 12.062 11.372 ( 5.086 0.000 4.078) 6.519 11.451 ( 4.783 0.000 -4.161) 6.339 12.069 ( -8.381 0.000 8.350) 11.831 12.203 ( -7.588 0.000 -6.113) 9.744 12.956 ( -3.702 0.000 10.608) 11.235 12.973 ( -9.284 0.000 8.955) 12.899 13.204 ( 3.025 0.000 -8.049) 8.598 13.230 ( -5.012 0.000 -10.602) 11.727 14.818 ( -8.092 0.000 9.857) 12.753 15.028 ( -8.034 0.000 -11.984) 14.428 15.415 ( -2.666 0.000 5.612) 6.213 15.437 ( 4.339 0.000 4.692) 6.391 15.750 ( -3.771 0.000 8.212) 9.037 15.999 ( 4.208 0.000 -16.061) 16.603 16.814 ( -0.655 0.000 10.789) 10.809 16.866 ( 13.681 0.000 4.091) 14.280 16.960 ( 14.115 0.000 -4.098) 14.698 17.014 ( -0.708 0.000 -8.562) 8.592 24.602 ( -0.475 0.000 5.104) 5.126 24.707 ( -1.021 0.000 -5.973) 6.060 24.764 ( 0.623 0.000 2.627) 2.699 24.806 ( 0.978 0.000 -0.858) 1.301 25.155 ( -3.563 0.000 8.574) 9.284 25.305 ( -2.712 0.000 -6.588) 7.124 25.375 ( -1.231 0.000 10.966) 11.035 25.582 ( -2.408 0.000 -10.536) 10.808 27.303 ( -4.863 0.000 3.469) 5.974 27.376 ( -3.396 0.000 -4.119) 5.338 27.663 ( -4.610 0.000 2.101) 5.066 27.707 ( -3.878 0.000 -2.388) 4.555 28.050 ( -3.489 0.000 8.467) 9.158 28.170 ( -0.131 0.000 -3.342) 3.345 28.583 ( 3.196 0.000 14.281) 14.634 28.942 ( 10.471 0.000 -22.473) 24.793 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 1.296 0.000 1.132) 1.721 1.360 ( -0.510 0.000 -1.030) 1.149 1.841 ( 3.485 0.000 9.030) 9.679 1.899 ( 13.335 0.000 6.082) 14.656 1.951 ( 2.845 0.000 -2.660) 3.895 1.981 ( 11.700 0.000 -1.504) 11.797 2.099 ( 2.085 0.000 -1.606) 2.632 2.105 ( 2.918 0.000 -2.513) 3.851 2.474 ( -5.741 0.000 6.512) 8.681 2.513 ( -5.097 0.000 2.339) 5.608 2.815 ( -5.234 0.000 -1.977) 5.595 2.821 ( 3.339 0.000 -0.174) 3.344 3.090 ( -6.373 0.000 6.245) 8.923 3.273 ( 1.880 0.000 -10.076) 10.249 3.348 ( 3.274 0.000 9.092) 9.664 3.541 ( -0.349 0.000 -10.310) 10.316 3.676 ( 1.265 0.000 6.185) 6.313 3.753 ( 1.958 0.000 -2.022) 2.815 3.763 ( 2.372 0.000 0.218) 2.382 3.774 ( 1.562 0.000 -0.165) 1.570 3.994 ( -1.831 0.000 4.550) 4.905 4.008 ( 3.618 0.000 0.989) 3.750 4.015 ( 14.146 0.000 3.477) 14.567 4.090 ( -1.020 0.000 6.263) 6.345 4.135 ( 6.702 0.000 -8.778) 11.044 4.265 ( 0.279 0.000 -9.946) 9.950 4.559 ( -1.280 0.000 5.644) 5.787 4.652 ( -0.048 0.000 -4.017) 4.018 4.732 ( 13.262 0.000 7.530) 15.251 4.754 ( 15.727 0.000 4.870) 16.464 4.882 ( 0.714 0.000 1.173) 1.373 4.910 ( 0.872 0.000 -1.616) 1.836 5.148 ( 4.937 0.000 -4.459) 6.653 5.159 ( 3.738 0.000 -4.332) 5.722 5.422 ( 8.896 0.000 6.041) 10.754 5.601 ( 7.802 0.000 -11.983) 14.299 6.874 ( 3.179 0.000 6.414) 7.159 6.990 ( 2.405 0.000 -5.725) 6.209 7.093 ( -5.925 0.000 4.428) 7.397 7.176 ( -5.510 0.000 -4.224) 6.943 7.216 ( -0.756 0.000 11.617) 11.642 7.438 ( -0.789 0.000 -11.389) 11.416 7.612 ( -1.589 0.000 6.668) 6.855 7.714 ( -0.001 0.000 -4.372) 4.372 7.854 ( -0.313 0.000 0.796) 0.855 7.862 ( -1.862 0.000 -0.010) 1.862 8.035 ( -0.577 0.000 1.796) 1.887 8.067 ( -0.231 0.000 -1.565) 1.582 8.427 ( -2.604 0.000 9.371) 9.726 8.600 ( -3.105 0.000 -8.415) 8.969 8.953 ( 1.185 0.000 13.067) 13.121 9.188 ( 1.104 0.000 -9.801) 9.863 9.397 ( 1.284 0.000 7.670) 7.777 9.409 ( -5.649 0.000 1.744) 5.912 9.512 ( -8.622 0.000 -1.763) 8.800 9.690 ( 3.187 0.000 -13.799) 14.162 10.209 ( 0.865 0.000 9.763) 9.801 10.412 ( 1.057 0.000 -7.649) 7.722 10.453 ( -0.645 0.000 -2.348) 2.435 10.488 ( -0.406 0.000 -2.780) 2.810 10.794 ( -9.043 0.000 7.622) 11.826 10.937 ( -7.844 0.000 -7.173) 10.630 11.463 ( 3.083 0.000 3.816) 4.905 11.525 ( 2.086 0.000 -2.638) 3.363 11.975 ( -1.499 0.000 7.149) 7.304 12.109 ( -1.874 0.000 -6.857) 7.109 12.831 ( -4.040 0.000 10.785) 11.517 12.897 ( -0.922 0.000 10.552) 10.592 13.117 ( -5.761 0.000 -8.398) 10.184 13.221 ( -0.863 0.000 -12.547) 12.576 14.692 ( -3.819 0.000 9.999) 10.704 14.906 ( -3.502 0.000 -12.336) 12.823 15.348 ( -2.858 0.000 5.157) 5.896 15.425 ( -3.305 0.000 -2.703) 4.270 15.758 ( 2.685 0.000 17.380) 17.586 16.083 ( 3.063 0.000 -15.965) 16.257 16.791 ( -1.056 0.000 11.372) 11.421 16.989 ( -0.746 0.000 -9.100) 9.130 17.101 ( 7.447 0.000 4.904) 8.917 17.197 ( 7.835 0.000 -4.936) 9.260 24.592 ( -0.387 0.000 4.450) 4.467 24.692 ( -0.413 0.000 -6.145) 6.159 24.780 ( 0.762 0.000 3.880) 3.954 24.833 ( 1.286 0.000 -0.205) 1.302 25.100 ( -1.689 0.000 7.613) 7.798 25.274 ( -0.314 0.000 -8.921) 8.927 25.349 ( -1.122 0.000 9.160) 9.229 25.514 ( -3.433 0.000 -8.382) 9.058 27.229 ( -2.366 0.000 4.530) 5.110 27.326 ( -1.608 0.000 -5.715) 5.937 27.574 ( -3.258 0.000 2.793) 4.291 27.631 ( -2.888 0.000 -3.032) 4.187 27.985 ( -2.224 0.000 7.667) 7.983 28.111 ( -3.173 0.000 -5.533) 6.379 28.688 ( 4.577 0.000 20.266) 20.777 29.106 ( 5.129 0.000 -23.034) 23.598 ======================= Grid point 130 (45/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 0.000 0.358) 0.358 1.357 ( 0.000 0.000 -0.164) 0.164 1.885 ( 0.000 0.000 8.823) 8.823 1.985 ( 0.000 0.000 -1.174) 1.174 2.043 ( -0.000 0.000 4.329) 4.329 2.129 ( 0.000 0.000 -4.548) 4.548 2.141 ( 0.000 0.000 -1.550) 1.550 2.153 ( 0.000 0.000 -2.254) 2.254 2.371 ( 0.000 0.000 6.401) 6.401 2.476 ( -0.000 0.000 -4.632) 4.632 2.707 ( 0.000 0.000 9.968) 9.968 2.867 ( 0.000 0.000 3.967) 3.967 3.011 ( 0.000 0.000 4.574) 4.574 3.311 ( 0.000 0.000 -16.101) 16.101 3.372 ( 0.000 0.000 6.906) 6.906 3.520 ( -0.000 0.000 -7.775) 7.775 3.695 ( 0.000 0.000 7.119) 7.119 3.780 ( 0.000 0.000 -1.977) 1.977 3.780 ( 0.000 0.000 -0.356) 0.356 3.789 ( -0.000 0.000 -0.756) 0.756 3.964 ( 0.000 0.000 6.419) 6.419 4.052 ( 0.000 0.000 0.295) 0.295 4.056 ( 0.000 0.000 -0.094) 0.094 4.096 ( 0.000 0.000 -7.570) 7.570 4.225 ( 0.000 0.000 7.193) 7.193 4.368 ( 0.000 0.000 -7.317) 7.317 4.527 ( 0.000 0.000 6.443) 6.443 4.648 ( 0.000 0.000 -6.304) 6.304 4.883 ( 0.000 0.000 1.720) 1.720 4.917 ( 0.000 0.000 -1.880) 1.880 4.928 ( 0.000 0.000 13.719) 13.719 4.998 ( 0.000 0.000 8.879) 8.879 5.151 ( 0.000 0.000 -8.117) 8.117 5.174 ( 0.000 0.000 -9.360) 9.360 5.530 ( 0.000 0.000 3.908) 3.908 5.693 ( 0.000 0.000 -11.966) 11.966 6.963 ( -0.000 0.000 5.649) 5.649 6.974 ( 0.000 0.000 5.059) 5.059 7.065 ( 0.000 0.000 -4.413) 4.413 7.067 ( -0.000 0.000 -5.262) 5.262 7.207 ( 0.000 0.000 11.377) 11.377 7.428 ( 0.000 0.000 -11.509) 11.509 7.595 ( 0.000 0.000 7.615) 7.615 7.716 ( 0.000 0.000 -5.399) 5.399 7.850 ( 0.000 0.000 1.045) 1.045 7.862 ( 0.000 0.000 -0.303) 0.303 8.022 ( 0.000 0.000 2.312) 2.312 8.060 ( 0.000 0.000 -1.660) 1.660 8.396 ( 0.000 0.000 8.765) 8.765 8.563 ( 0.000 0.000 -8.345) 8.345 8.964 ( 0.000 0.000 12.050) 12.050 9.209 ( 0.000 0.000 -13.358) 13.358 9.333 ( 0.000 0.000 1.451) 1.451 9.356 ( -0.000 0.000 -0.954) 0.954 9.446 ( 0.000 0.000 13.908) 13.908 9.731 ( 0.000 0.000 -15.459) 15.459 10.217 ( 0.000 0.000 9.980) 9.980 10.433 ( -0.060 0.000 -12.289) 12.289 10.433 ( 0.060 0.000 2.417) 2.418 10.485 ( 0.000 0.000 -3.115) 3.115 10.696 ( 0.000 0.000 8.299) 8.299 10.851 ( 0.000 0.000 -7.679) 7.679 11.496 ( 0.000 0.000 3.249) 3.249 11.545 ( 0.000 0.000 -1.850) 1.850 11.966 ( 0.000 0.000 6.557) 6.557 12.095 ( 0.000 0.000 -6.823) 6.823 12.793 ( 0.000 0.000 12.282) 12.282 12.905 ( -0.000 0.000 15.868) 15.868 13.034 ( 0.000 0.000 -12.774) 12.774 13.204 ( 0.000 0.000 -15.224) 15.224 14.653 ( 0.000 0.000 10.158) 10.158 14.872 ( 0.000 0.000 -12.623) 12.623 15.316 ( 0.000 0.000 4.197) 4.197 15.382 ( 0.000 0.000 -2.724) 2.724 15.792 ( 0.000 0.000 18.138) 18.138 16.116 ( 0.000 0.000 -15.216) 15.216 16.779 ( 0.000 0.000 11.366) 11.366 16.979 ( 0.000 0.000 -9.331) 9.331 17.181 ( 0.000 0.000 5.153) 5.153 17.280 ( 0.000 0.000 -5.055) 5.055 24.588 ( 0.000 0.000 4.252) 4.252 24.688 ( 0.000 0.000 -6.391) 6.391 24.789 ( 0.000 0.000 4.473) 4.473 24.848 ( 0.000 0.000 -0.040) 0.040 25.083 ( 0.000 0.000 7.467) 7.467 25.276 ( 0.000 0.000 -10.989) 10.989 25.335 ( 0.000 0.000 8.132) 8.132 25.470 ( 0.000 0.000 -6.059) 6.059 27.204 ( 0.000 0.000 4.880) 4.880 27.308 ( 0.000 0.000 -6.152) 6.152 27.539 ( 0.000 0.000 3.001) 3.001 27.599 ( 0.000 0.000 -3.214) 3.214 27.962 ( 0.000 0.000 7.058) 7.058 28.075 ( 0.000 0.000 -4.875) 4.875 28.738 ( 0.000 0.000 20.727) 20.727 29.159 ( 0.000 0.000 -22.752) 22.752 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 14.422 22.235) 26.502 1.326 ( 0.000 21.116 20.114) 29.163 1.601 ( 0.000 9.252 -19.819) 21.872 1.608 ( 0.000 18.241 -3.583) 18.590 1.775 ( 0.000 -1.241 5.605) 5.741 1.782 ( 0.000 8.585 3.134) 9.140 1.886 ( 0.000 -1.010 -6.539) 6.617 1.901 ( 0.000 2.093 -8.000) 8.269 2.424 ( 0.000 16.427 23.137) 28.376 2.749 ( 0.000 1.405 4.671) 4.878 2.774 ( 0.000 2.687 -8.701) 9.106 2.839 ( 0.000 0.257 -4.743) 4.750 2.916 ( 0.000 -4.178 1.916) 4.597 2.987 ( 0.000 -1.386 1.188) 1.826 3.005 ( 0.000 0.467 -5.675) 5.695 3.143 ( 0.000 9.411 -15.903) 18.479 3.403 ( 0.000 -1.985 7.965) 8.208 3.549 ( 0.000 -1.712 -4.590) 4.899 3.600 ( 0.000 -6.314 4.107) 7.532 3.712 ( 0.000 -4.887 -5.091) 7.057 3.720 ( 0.000 -1.509 4.591) 4.833 3.804 ( 0.000 -0.460 -3.422) 3.452 3.911 ( 0.000 -0.241 3.247) 3.255 3.964 ( 0.000 0.490 -2.516) 2.563 3.966 ( 0.000 -1.553 12.661) 12.756 4.159 ( 0.000 -1.830 -6.373) 6.631 4.194 ( 0.000 -0.192 7.333) 7.336 4.347 ( 0.000 2.093 -8.292) 8.552 4.610 ( 0.000 -14.110 12.417) 18.796 4.724 ( 0.000 -4.370 3.251) 5.446 4.790 ( 0.000 -6.039 -3.799) 7.134 4.793 ( 0.000 -4.961 -7.424) 8.929 5.052 ( 0.000 -0.959 0.035) 0.960 5.077 ( 0.000 -2.692 -2.567) 3.720 5.137 ( 0.000 2.317 1.164) 2.593 5.149 ( 0.000 2.190 -0.024) 2.191 7.101 ( 0.000 9.881 8.214) 12.849 7.228 ( 0.000 2.411 8.197) 8.544 7.235 ( 0.000 -1.397 6.522) 6.670 7.255 ( 0.000 12.853 -7.896) 15.085 7.377 ( 0.000 0.867 -3.549) 3.654 7.451 ( 0.000 2.211 -8.882) 9.153 7.790 ( 0.000 4.130 0.079) 4.131 7.797 ( 0.000 4.019 -0.418) 4.041 7.901 ( 0.000 -3.092 3.500) 4.670 7.975 ( 0.000 -2.491 -4.065) 4.767 8.169 ( 0.000 -6.665 8.221) 10.583 8.323 ( 0.000 -5.063 -8.942) 10.276 8.438 ( 0.000 0.529 2.904) 2.952 8.492 ( 0.000 0.883 -2.621) 2.765 8.776 ( 0.000 6.675 7.542) 10.072 8.912 ( 0.000 5.608 -6.461) 8.556 9.113 ( 0.000 -6.180 11.221) 12.811 9.316 ( 0.000 -10.795 -8.766) 13.906 9.580 ( 0.000 0.570 -0.084) 0.576 9.605 ( 0.000 4.919 -3.704) 6.158 10.104 ( 0.000 -2.364 8.749) 9.063 10.310 ( 0.000 -1.341 -12.562) 12.633 10.564 ( 0.000 -4.379 0.898) 4.470 10.580 ( 0.000 -1.387 -0.987) 1.702 11.097 ( 0.000 -8.405 5.483) 10.036 11.204 ( 0.000 -8.166 -5.604) 9.904 11.286 ( 0.000 -4.046 6.606) 7.747 11.399 ( 0.000 -5.105 -5.140) 7.244 12.379 ( 0.000 -7.510 14.677) 16.486 12.637 ( 0.000 -0.202 -13.833) 13.834 12.856 ( 0.000 -1.474 5.852) 6.035 12.969 ( 0.000 0.023 -5.803) 5.803 13.568 ( 0.000 18.498 9.120) 20.624 13.741 ( 0.000 18.980 -8.936) 20.978 15.004 ( 0.000 -5.074 8.871) 10.220 15.154 ( 0.000 -4.447 -3.716) 5.795 15.296 ( 0.000 2.389 2.676) 3.587 15.442 ( 0.000 -0.163 -9.940) 9.941 15.734 ( 0.000 -13.854 10.088) 17.138 15.891 ( 0.000 -7.400 -7.315) 10.405 16.405 ( 0.000 2.208 2.683) 3.475 16.447 ( 0.000 3.741 -1.772) 4.140 16.812 ( 0.000 -1.643 11.167) 11.288 17.005 ( 0.000 -1.862 -8.921) 9.114 24.609 ( 0.000 -0.150 5.711) 5.713 24.724 ( 0.000 -0.762 -6.333) 6.379 24.756 ( 0.000 -0.645 2.250) 2.341 24.799 ( 0.000 -1.417 -1.923) 2.389 25.354 ( 0.000 2.218 15.032) 15.195 25.377 ( 0.000 1.057 12.172) 12.218 25.608 ( 0.000 2.309 -11.801) 12.025 25.642 ( 0.000 11.366 -16.725) 20.222 27.610 ( 0.000 -6.003 2.807) 6.627 27.622 ( 0.000 -1.965 5.086) 5.453 27.662 ( 0.000 -5.369 -2.641) 5.984 27.723 ( 0.000 -2.475 -5.351) 5.895 27.965 ( 0.000 7.914 3.689) 8.731 28.033 ( 0.000 9.295 -3.341) 9.877 28.409 ( 0.000 -9.807 16.294) 19.018 28.680 ( 0.000 -3.917 -13.228) 13.796 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 4.922 10.989 14.932) 19.182 1.424 ( 7.707 16.450 16.996) 24.877 1.545 ( -2.500 7.531 -9.740) 12.563 1.706 ( 5.745 14.312 -6.152) 16.604 1.798 ( 2.275 2.491 3.795) 5.077 1.862 ( 2.295 -0.397 -2.620) 3.505 1.907 ( 8.363 6.551 -0.097) 10.623 2.010 ( 6.505 5.852 -8.660) 12.311 2.471 ( 3.407 10.856 20.485) 23.433 2.722 ( -0.324 -0.188 -7.005) 7.015 2.811 ( 2.279 4.982 5.080) 7.471 2.907 ( 2.891 0.507 -0.550) 2.986 2.919 ( 0.099 -3.038 1.544) 3.409 3.059 ( 11.242 -1.776 -5.453) 12.620 3.122 ( 8.934 2.143 -1.685) 9.341 3.230 ( 8.761 9.335 -14.312) 19.202 3.405 ( 0.611 -1.150 8.725) 8.822 3.573 ( 1.545 -3.956 -8.028) 9.082 3.600 ( 2.033 -3.560 4.602) 6.163 3.675 ( -0.269 -4.133 -2.296) 4.735 3.748 ( -2.023 -1.191 3.446) 4.169 3.772 ( -1.879 -1.171 -0.568) 2.285 3.973 ( 2.361 -0.817 2.928) 3.849 4.014 ( 3.508 2.239 0.596) 4.204 4.087 ( 11.377 -4.492 5.580) 13.444 4.192 ( 5.948 -3.104 -3.445) 7.541 4.312 ( 9.269 0.241 5.542) 10.802 4.429 ( 5.600 2.045 -2.661) 6.529 4.487 ( -7.088 -8.196 8.717) 13.906 4.651 ( -7.567 -3.728 -4.986) 9.799 4.807 ( 1.608 -5.922 -1.608) 6.343 4.819 ( 2.738 -2.994 -3.089) 5.099 4.955 ( -2.878 2.437 1.476) 4.050 4.988 ( -3.850 1.579 -2.320) 4.765 5.196 ( 3.217 0.769 3.337) 4.698 5.273 ( 6.334 -1.335 -4.935) 8.140 6.992 ( -6.700 6.351 8.010) 12.223 7.141 ( -7.046 7.942 -7.312) 12.891 7.233 ( -0.961 -0.207 7.225) 7.291 7.277 ( 1.490 4.561 5.646) 7.410 7.367 ( -1.383 1.137 -2.282) 2.901 7.477 ( 1.284 3.849 -8.639) 9.544 7.733 ( -4.197 1.731 1.581) 4.807 7.756 ( -2.243 1.214 -1.157) 2.800 7.947 ( 2.555 -2.273 2.276) 4.108 7.988 ( 0.027 -3.157 -1.678) 3.576 8.051 ( -5.864 0.059 3.476) 6.817 8.096 ( -7.785 0.932 -1.207) 7.933 8.590 ( 6.186 -3.718 8.837) 11.410 8.699 ( 0.806 3.730 6.511) 7.547 8.790 ( 2.840 -1.022 -5.618) 6.377 8.908 ( 4.501 1.892 -8.853) 10.110 9.227 ( 7.558 -7.815 6.069) 12.451 9.379 ( 4.861 -13.409 -7.223) 15.987 9.558 ( -1.846 0.762 1.070) 2.266 9.617 ( 1.579 6.440 -6.241) 9.105 10.132 ( 2.514 -1.448 8.533) 9.013 10.322 ( 1.516 -1.162 -10.864) 11.031 10.548 ( -1.706 -2.215 1.085) 2.999 10.577 ( -0.399 0.246 -2.388) 2.434 11.115 ( 1.300 -11.036 5.289) 12.307 11.195 ( -4.926 -6.559 1.724) 8.382 11.244 ( 0.079 -7.679 -1.024) 7.747 11.328 ( -5.914 -4.439 -4.997) 8.925 12.248 ( -9.964 -3.169 11.887) 15.831 12.439 ( -13.392 2.553 -8.970) 16.320 12.915 ( 1.849 -3.881 6.850) 8.087 13.042 ( 4.374 -2.743 -6.326) 8.165 13.430 ( -10.162 18.068 10.467) 23.223 13.632 ( -7.463 19.281 -10.865) 23.356 14.939 ( -7.791 -6.055 10.074) 14.102 15.140 ( -6.018 -5.961 -9.889) 13.021 15.325 ( 5.937 2.882 7.256) 9.808 15.437 ( 2.114 1.446 -1.487) 2.962 15.797 ( 3.126 -6.448 1.553) 7.332 15.892 ( 0.006 -3.987 -7.891) 8.841 16.545 ( 12.038 -0.516 3.472) 12.539 16.606 ( 13.359 0.111 -2.833) 13.657 16.816 ( 0.246 -1.762 10.799) 10.945 17.004 ( -0.158 -1.924 -8.808) 9.017 24.607 ( -0.155 -0.107 5.605) 5.608 24.721 ( -0.408 -0.576 -6.234) 6.274 24.753 ( -0.159 -0.651 2.232) 2.330 24.794 ( -0.131 -0.779 -1.655) 1.834 25.286 ( -4.582 3.271 12.760) 13.947 25.384 ( -0.380 0.853 11.672) 11.709 25.519 ( -6.559 7.834 -10.042) 14.326 25.639 ( -0.697 3.779 -12.774) 13.339 27.435 ( -7.895 -0.842 3.100) 8.524 27.489 ( -7.621 -0.586 -2.303) 7.983 27.684 ( -1.203 -4.646 2.911) 5.613 27.745 ( -1.851 -3.034 -3.261) 4.823 28.080 ( 6.379 3.732 5.145) 9.005 28.122 ( 3.826 4.403 2.817) 6.478 28.487 ( 4.719 -8.020 5.185) 10.652 28.684 ( 4.124 -2.879 -14.266) 15.127 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 2.737 5.960 4.824) 8.142 1.445 ( -3.284 5.798 -4.940) 8.294 1.665 ( 11.297 6.460 12.935) 18.348 1.844 ( 4.679 3.889 2.910) 6.744 1.860 ( 5.785 9.064 -2.191) 10.974 1.923 ( 3.787 3.820 -0.974) 5.466 2.088 ( 7.115 7.968 -2.646) 11.005 2.113 ( 2.957 6.305 -3.811) 7.938 2.504 ( -0.739 2.098 11.873) 12.079 2.681 ( -4.746 0.738 -5.140) 7.035 2.789 ( 0.679 2.137 2.298) 3.211 2.917 ( 1.607 2.920 -8.637) 9.257 3.166 ( 10.176 1.792 10.618) 14.816 3.236 ( 0.726 -0.124 4.164) 4.229 3.280 ( 5.055 2.523 -0.739) 5.697 3.410 ( 2.662 -1.916 -11.492) 11.951 3.522 ( 13.446 -1.840 6.982) 15.262 3.656 ( 2.898 -0.941 -0.713) 3.129 3.682 ( 1.613 -3.628 1.488) 4.240 3.698 ( 6.501 -1.443 3.186) 7.382 3.762 ( 12.572 2.652 -8.068) 15.172 3.772 ( 2.927 -1.381 -3.351) 4.658 3.985 ( -0.125 -2.335 3.152) 3.925 4.048 ( 0.030 2.275 -2.265) 3.210 4.213 ( -6.950 -1.513 11.102) 13.185 4.366 ( 9.890 -3.214 -0.098) 10.399 4.428 ( 7.054 -2.796 0.853) 7.636 4.460 ( -4.048 -0.935 -5.329) 6.757 4.530 ( 8.548 0.192 6.829) 10.943 4.643 ( 7.893 1.713 -3.922) 8.979 4.873 ( 2.698 0.077 0.183) 2.705 4.886 ( 2.243 -0.552 -0.909) 2.482 4.987 ( 7.435 1.054 -1.002) 7.576 5.014 ( 8.843 2.555 -3.434) 9.824 5.272 ( 4.465 0.136 5.451) 7.048 5.403 ( 6.701 -2.592 -8.366) 11.028 6.888 ( -2.552 3.635 7.161) 8.426 7.022 ( -3.598 4.082 -6.693) 8.626 7.190 ( -3.354 -0.795 5.848) 6.788 7.265 ( -2.643 2.036 1.517) 3.665 7.323 ( -2.329 4.121 3.452) 5.859 7.487 ( -0.158 3.595 -8.659) 9.377 7.651 ( -3.616 -0.520 3.661) 5.172 7.714 ( -1.735 -1.180 -2.992) 3.654 7.917 ( -3.544 0.295 1.347) 3.803 7.934 ( -4.620 -1.865 -0.180) 4.985 8.015 ( 1.432 0.371 1.997) 2.486 8.052 ( 0.876 0.420 -1.868) 2.106 8.565 ( -3.558 5.537 8.951) 11.110 8.720 ( -2.848 2.315 -5.626) 6.717 8.809 ( 3.074 -3.222 10.241) 11.167 9.027 ( 3.448 -7.537 -9.387) 12.522 9.307 ( -0.632 -10.818 4.952) 11.915 9.422 ( -2.369 -15.297 -6.431) 16.762 9.535 ( 0.408 3.028 4.744) 5.642 9.684 ( 4.176 6.796 -10.361) 13.076 10.197 ( 3.301 0.455 8.803) 9.412 10.376 ( 3.256 -0.268 -9.224) 9.786 10.495 ( -2.903 0.305 2.241) 3.680 10.559 ( -1.205 2.542 -5.257) 5.962 10.993 ( -11.100 -3.839 5.674) 13.044 11.091 ( -8.141 -6.211 -3.811) 10.926 11.221 ( 1.402 -12.946 3.729) 13.545 11.311 ( 3.016 -13.737 -5.125) 14.969 12.047 ( -8.029 1.124 8.595) 11.815 12.185 ( -9.791 2.846 -6.235) 11.952 12.901 ( -2.273 -4.101 10.599) 11.590 13.087 ( -0.563 -2.302 -8.279) 8.612 13.253 ( -5.457 16.227 11.106) 20.407 13.494 ( -5.757 18.117 -13.387) 23.250 14.757 ( -7.798 -5.725 9.985) 13.902 14.966 ( -7.762 -5.700 -11.805) 15.235 15.440 ( -2.196 2.296 7.110) 7.788 15.480 ( 5.276 3.866 5.123) 8.308 15.767 ( -2.531 1.578 5.154) 5.955 15.986 ( 6.623 -1.056 -15.084) 16.508 16.784 ( 1.873 -2.567 10.226) 10.708 16.838 ( 11.111 -2.410 4.545) 12.244 16.928 ( 13.186 -2.604 -4.003) 14.024 16.995 ( -0.546 -1.819 -8.440) 8.651 24.601 ( -0.395 0.021 5.125) 5.140 24.707 ( -0.770 -0.051 -5.965) 6.015 24.755 ( 0.418 -0.863 2.871) 3.027 24.804 ( 1.109 -0.284 -1.646) 2.004 25.194 ( -3.763 3.569 10.667) 11.861 25.361 ( -1.819 2.469 3.264) 4.479 25.401 ( -3.901 4.269 -0.430) 5.799 25.600 ( -2.981 1.647 -11.536) 12.028 27.304 ( -4.718 0.055 3.775) 6.043 27.380 ( -3.381 0.267 -4.080) 5.305 27.615 ( -4.414 -4.238 2.787) 6.725 27.676 ( -4.082 -3.119 -3.287) 6.099 28.074 ( -2.614 2.574 8.496) 9.255 28.200 ( -0.378 2.958 -4.115) 5.082 28.554 ( 4.886 -2.352 13.457) 14.509 28.877 ( 10.043 -5.456 -19.454) 22.563 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.477 4.619 -0.198) 4.648 1.409 ( 0.750 4.692 -1.609) 5.016 1.833 ( 3.603 -0.528 8.153) 8.929 1.945 ( 2.221 0.176 -2.265) 3.177 1.968 ( 7.106 1.043 4.372) 8.408 2.049 ( 6.634 5.936 -1.120) 8.972 2.148 ( 0.830 5.065 -0.120) 5.134 2.197 ( 3.327 8.685 -4.120) 10.172 2.485 ( 0.465 5.460 9.142) 10.658 2.583 ( -3.215 5.594 -0.743) 6.495 2.853 ( 4.207 2.454 0.149) 4.873 2.885 ( -6.039 5.102 -1.827) 8.114 3.172 ( -4.535 6.343 7.370) 10.729 3.238 ( 1.641 -5.324 4.101) 6.918 3.352 ( 0.979 2.889 -6.050) 6.775 3.404 ( -1.312 -10.719 -7.823) 13.335 3.657 ( 1.971 -2.291 3.852) 4.896 3.713 ( 2.444 -2.080 -1.899) 3.729 3.752 ( 1.547 -1.945 0.985) 2.674 3.757 ( 1.397 -1.329 -0.118) 1.932 3.973 ( 4.358 -1.960 3.592) 5.977 3.990 ( 2.261 -3.232 1.831) 4.348 4.043 ( 0.717 -0.382 -1.446) 1.659 4.089 ( 8.555 2.537 0.589) 8.943 4.148 ( 3.081 1.975 1.526) 3.965 4.312 ( 3.260 3.869 -9.218) 10.515 4.526 ( -0.831 -2.186 4.631) 5.188 4.580 ( 1.639 -2.876 -0.356) 3.329 4.772 ( 15.002 1.493 6.126) 16.273 4.820 ( 9.838 3.434 0.856) 10.455 4.908 ( 3.028 2.746 1.258) 4.277 4.925 ( 2.609 1.490 -0.982) 3.161 5.154 ( 4.630 1.025 -0.492) 4.768 5.210 ( 4.335 3.313 -5.210) 7.544 5.426 ( 9.859 0.384 4.351) 10.783 5.570 ( 8.253 -2.670 -10.010) 13.246 6.888 ( 2.172 1.321 6.029) 6.543 6.995 ( 0.790 0.616 -4.780) 4.884 7.092 ( -5.475 -0.309 4.185) 6.899 7.175 ( -5.263 0.092 -3.621) 6.389 7.286 ( -1.153 6.232 9.434) 11.365 7.480 ( -0.282 3.754 -9.437) 10.160 7.585 ( -2.498 -2.015 5.582) 6.439 7.687 ( -0.796 -2.815 -4.764) 5.591 7.855 ( -2.216 -1.551 0.951) 2.867 7.866 ( -1.581 -0.370 -0.161) 1.632 8.032 ( 0.173 0.428 1.984) 2.037 8.068 ( 0.603 0.530 -1.783) 1.956 8.498 ( -2.739 6.866 8.402) 11.190 8.653 ( -3.070 4.822 -7.328) 9.294 8.850 ( 1.009 -6.654 10.993) 12.889 9.061 ( 0.767 -9.030 -9.411) 13.065 9.228 ( -5.384 -12.282 3.619) 13.890 9.313 ( -6.564 -13.449 -4.954) 15.764 9.558 ( 1.364 6.790 9.205) 11.519 9.763 ( 3.068 5.896 -11.604) 13.372 10.254 ( 1.752 2.276 9.634) 10.053 10.429 ( 0.675 0.961 -3.196) 3.405 10.459 ( 0.528 -0.124 -2.410) 2.470 10.532 ( -1.464 2.818 -7.852) 8.470 10.771 ( -8.615 -2.080 7.215) 11.428 10.907 ( -7.281 -2.720 -6.853) 10.362 11.275 ( 2.461 -18.821 5.264) 19.698 11.369 ( 2.097 -17.201 -4.518) 17.908 11.925 ( -3.659 1.524 6.449) 7.570 12.038 ( -4.388 0.953 -5.401) 7.024 12.859 ( -1.257 -4.217 13.153) 13.870 13.065 ( -0.092 8.117 -1.406) 8.239 13.175 ( -3.027 6.625 1.076) 7.363 13.379 ( -5.034 18.337 -13.122) 23.103 14.638 ( -3.472 -5.054 9.995) 11.726 14.851 ( -3.222 -5.137 -12.183) 13.609 15.380 ( -2.619 3.122 6.821) 7.946 15.489 ( -2.588 5.968 -4.152) 7.717 15.782 ( 2.652 1.901 16.751) 17.066 16.100 ( 3.810 1.428 -15.756) 16.273 16.777 ( -0.670 -1.218 11.078) 11.165 16.971 ( -0.477 -1.678 -8.916) 9.085 17.060 ( 7.123 -3.736 5.071) 9.509 17.160 ( 7.761 -3.327 -5.163) 9.897 24.593 ( -0.352 0.131 4.580) 4.595 24.694 ( -0.386 0.207 -6.151) 6.166 24.768 ( 0.604 -1.195 4.041) 4.257 24.832 ( 1.223 -0.351 -1.716) 2.137 25.134 ( -1.892 3.169 9.459) 10.154 25.326 ( -0.827 4.278 -8.410) 9.472 25.352 ( -1.380 0.466 8.369) 8.495 25.525 ( -3.678 0.923 -8.963) 9.732 27.230 ( -2.407 0.082 4.704) 5.284 27.328 ( -1.698 0.150 -5.630) 5.882 27.530 ( -3.089 -3.968 3.374) 6.056 27.598 ( -2.834 -3.079 -3.595) 5.517 28.026 ( -1.691 3.974 7.613) 8.752 28.152 ( -2.552 4.041 -5.637) 7.390 28.668 ( 4.492 -1.894 17.975) 18.624 29.038 ( 5.090 -6.056 -20.304) 21.790 ======================= Grid point 139 (50/60) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 3.986 0.679) 4.043 1.426 ( -0.000 5.713 -2.421) 6.205 1.865 ( 0.000 -1.829 7.236) 7.464 1.965 ( 0.000 -2.228 -3.064) 3.788 2.056 ( -0.000 -5.121 3.095) 5.984 2.134 ( -0.000 -1.298 -3.946) 4.154 2.147 ( -0.000 8.868 3.975) 9.718 2.230 ( -0.000 8.598 -4.486) 9.698 2.501 ( -0.000 12.155 6.848) 13.951 2.589 ( -0.000 9.496 -2.081) 9.721 2.755 ( 0.000 3.902 9.829) 10.575 2.909 ( 0.000 2.817 -2.430) 3.720 3.112 ( 0.000 8.483 8.456) 11.978 3.270 ( -0.000 -8.445 3.441) 9.120 3.360 ( 0.000 3.921 -12.540) 13.138 3.373 ( -0.000 -11.984 -6.483) 13.625 3.678 ( 0.000 -1.972 5.435) 5.782 3.745 ( 0.000 -2.287 -1.387) 2.675 3.762 ( -0.000 -2.161 -0.304) 2.182 3.770 ( 0.000 -0.572 -1.821) 1.909 3.979 ( 0.000 0.264 5.644) 5.651 4.009 ( -0.000 -4.078 1.416) 4.317 4.042 ( 0.000 -1.701 -2.106) 2.707 4.109 ( 0.000 0.560 -7.605) 7.626 4.271 ( -0.000 4.463 9.504) 10.500 4.432 ( 0.000 4.844 -7.235) 8.707 4.481 ( 0.000 -3.290 5.582) 6.480 4.565 ( 0.000 -4.666 -2.995) 5.544 4.885 ( 0.000 -0.016 1.410) 1.410 4.911 ( 0.000 -0.245 -0.907) 0.940 5.030 ( 0.000 3.360 8.182) 8.845 5.047 ( 0.000 7.351 8.883) 11.530 5.189 ( -0.000 2.107 -4.397) 4.876 5.203 ( 0.000 2.988 -9.300) 9.768 5.548 ( 0.000 1.662 2.012) 2.609 5.669 ( 0.000 -1.870 -9.713) 9.891 6.950 ( 0.000 -1.805 4.990) 5.307 6.982 ( -0.000 1.213 5.912) 6.035 7.043 ( 0.000 -1.598 -4.702) 4.966 7.088 ( -0.000 1.599 -5.233) 5.472 7.274 ( 0.000 6.431 10.206) 12.063 7.478 ( 0.000 4.819 -10.776) 11.805 7.556 ( 0.000 -3.481 7.525) 8.291 7.680 ( 0.000 -3.442 -5.663) 6.627 7.832 ( 0.000 -2.493 1.513) 2.916 7.853 ( 0.000 -1.723 -0.631) 1.835 8.033 ( 0.000 0.951 2.541) 2.713 8.077 ( 0.000 1.407 -2.109) 2.535 8.463 ( 0.000 6.795 7.843) 10.377 8.612 ( 0.000 4.636 -7.361) 8.699 8.860 ( 0.000 -7.210 10.488) 12.727 9.076 ( 0.000 -9.493 -11.668) 15.042 9.152 ( 0.000 -11.937 4.708) 12.832 9.228 ( -0.000 -10.545 -3.191) 11.017 9.576 ( 0.000 7.380 10.490) 12.826 9.799 ( 0.000 5.267 -12.341) 13.418 10.269 ( 0.000 3.113 10.157) 10.623 10.429 ( 0.000 -0.432 2.675) 2.709 10.488 ( -0.000 3.178 -12.313) 12.716 10.495 ( 0.000 0.354 -4.349) 4.363 10.678 ( 0.000 -1.308 7.811) 7.920 10.826 ( 0.000 -1.925 -7.413) 7.659 11.303 ( 0.000 -20.323 5.148) 20.965 11.391 ( 0.000 -18.049 -4.003) 18.487 11.888 ( 0.000 1.049 5.725) 5.820 11.993 ( 0.000 -0.221 -5.259) 5.264 12.848 ( 0.000 -5.292 14.851) 15.766 13.080 ( 0.000 21.100 11.806) 24.178 13.131 ( 0.000 -6.796 -14.487) 16.002 13.315 ( 0.000 20.729 -12.581) 24.249 14.604 ( 0.000 -4.735 10.109) 11.162 14.820 ( 0.000 -4.901 -12.445) 13.375 15.350 ( 0.000 3.381 5.998) 6.886 15.453 ( 0.000 6.668 -4.727) 8.173 15.815 ( 0.000 1.783 18.231) 18.318 16.140 ( 0.000 1.992 -15.296) 15.425 16.769 ( 0.000 -0.807 10.900) 10.930 16.963 ( 0.000 -1.425 -9.168) 9.278 17.137 ( 0.000 -4.002 5.500) 6.802 17.243 ( 0.000 -3.437 -5.356) 6.363 24.589 ( -0.000 0.164 4.396) 4.399 24.690 ( -0.000 0.248 -6.356) 6.361 24.775 ( 0.000 -1.333 4.603) 4.792 24.846 ( 0.000 -0.450 -1.776) 1.832 25.115 ( 0.000 3.005 9.277) 9.751 25.323 ( 0.000 4.040 -11.334) 12.033 25.336 ( 0.000 0.057 8.415) 8.415 25.478 ( 0.000 0.678 -6.449) 6.484 27.204 ( 0.000 0.039 4.997) 4.997 27.309 ( 0.000 0.084 -6.111) 6.112 27.497 ( -0.000 -3.819 3.633) 5.271 27.568 ( 0.000 -2.953 -3.675) 4.714 28.008 ( 0.000 4.478 7.011) 8.319 28.123 ( 0.000 4.634 -5.078) 6.875 28.717 ( 0.000 -2.079 18.398) 18.515 29.091 ( 0.000 -6.186 -20.218) 21.143 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.000 18.265 14.305) 23.200 1.580 ( 0.000 4.441 18.124) 18.660 1.742 ( 0.000 -0.739 3.098) 3.185 1.802 ( 0.000 4.279 -6.072) 7.428 1.885 ( 0.000 -2.597 -12.510) 12.776 1.933 ( 0.000 10.857 -14.431) 18.059 2.061 ( 0.000 23.804 1.437) 23.847 2.142 ( 0.000 20.857 -6.776) 21.930 2.752 ( 0.000 -8.184 4.913) 9.545 2.784 ( 0.000 1.549 2.608) 3.033 2.787 ( 0.000 9.584 7.346) 12.076 2.842 ( 0.000 -0.204 -3.399) 3.405 2.855 ( 0.000 -6.482 -4.012) 7.623 2.891 ( 0.000 3.718 -3.762) 5.289 3.150 ( 0.000 15.244 9.860) 18.155 3.303 ( 0.000 -8.335 4.780) 9.608 3.378 ( 0.000 10.125 -7.844) 12.809 3.382 ( 0.000 -12.192 -2.879) 12.528 3.529 ( 0.000 -1.985 5.541) 5.886 3.616 ( 0.000 -3.022 -2.594) 3.982 3.704 ( 0.000 1.647 -1.193) 2.033 3.755 ( 0.000 -2.738 -3.632) 4.549 3.912 ( 0.000 0.388 4.263) 4.281 3.979 ( 0.000 2.610 10.428) 10.750 3.982 ( 0.000 1.084 -3.251) 3.427 4.133 ( 0.000 -0.689 -4.398) 4.452 4.169 ( 0.000 -2.677 8.858) 9.253 4.367 ( 0.000 -1.660 -11.160) 11.283 4.388 ( 0.000 -6.212 16.489) 17.620 4.600 ( 0.000 -7.445 4.416) 8.657 4.675 ( 0.000 -3.657 -3.444) 5.024 4.679 ( 0.000 -4.461 -13.719) 14.426 5.048 ( 0.000 1.113 0.991) 1.491 5.075 ( 0.000 1.576 -1.558) 2.216 5.168 ( 0.000 0.429 1.635) 1.690 5.187 ( 0.000 0.965 -0.248) 0.996 7.218 ( 0.000 0.219 6.198) 6.202 7.274 ( 0.000 5.216 11.348) 12.489 7.283 ( 0.000 2.324 1.752) 2.910 7.394 ( 0.000 2.053 3.109) 3.725 7.437 ( 0.000 4.131 -4.700) 6.258 7.540 ( 0.000 5.158 -9.599) 10.897 7.752 ( 0.000 -10.581 4.337) 11.435 7.867 ( 0.000 4.009 1.950) 4.458 7.870 ( 0.000 -6.815 -7.601) 10.209 7.910 ( 0.000 5.677 -2.401) 6.164 8.095 ( 0.000 -0.761 6.227) 6.274 8.243 ( 0.000 -2.779 -10.039) 10.417 8.465 ( 0.000 2.157 3.264) 3.912 8.527 ( 0.000 2.535 -3.197) 4.081 8.914 ( 0.000 -11.860 6.207) 13.386 9.000 ( 0.000 14.834 5.692) 15.888 9.014 ( 0.000 -15.638 -4.069) 16.159 9.099 ( 0.000 12.477 -4.687) 13.328 9.616 ( 0.000 2.357 2.970) 3.792 9.697 ( 0.000 2.535 -5.620) 6.165 10.035 ( 0.000 -4.004 10.246) 11.001 10.272 ( 0.000 -2.089 -14.149) 14.302 10.396 ( 0.000 -12.715 6.477) 14.270 10.526 ( 0.000 -5.608 -7.089) 9.039 10.925 ( 0.000 -5.302 3.785) 6.514 10.997 ( 0.000 -8.442 -3.817) 9.264 11.173 ( 0.000 -6.502 5.316) 8.399 11.257 ( 0.000 -8.030 -3.590) 8.796 12.362 ( 0.000 4.971 17.187) 17.892 12.684 ( 0.000 4.649 -17.063) 17.685 12.803 ( 0.000 -3.834 7.980) 8.853 12.958 ( 0.000 -1.352 -8.039) 8.152 13.954 ( 0.000 17.760 11.088) 20.937 14.157 ( 0.000 19.346 -10.330) 21.931 14.842 ( 0.000 -10.130 10.015) 14.245 15.027 ( 0.000 -8.117 -8.087) 11.457 15.336 ( 0.000 1.460 4.455) 4.688 15.465 ( 0.000 2.516 -7.868) 8.261 15.500 ( 0.000 -7.812 13.581) 15.668 15.736 ( 0.000 -6.596 -11.441) 13.206 16.466 ( 0.000 3.785 4.824) 6.132 16.551 ( 0.000 6.074 -3.992) 7.269 16.758 ( 0.000 -3.553 10.515) 11.099 16.943 ( 0.000 -4.138 -8.687) 9.622 24.612 ( 0.000 0.658 4.926) 4.969 24.712 ( 0.000 -0.207 -5.479) 5.483 24.729 ( 0.000 -1.922 2.424) 3.094 24.772 ( 0.000 -1.239 -1.984) 2.339 25.406 ( 0.000 1.587 13.921) 14.011 25.418 ( 0.000 2.812 19.770) 19.970 25.672 ( 0.000 3.662 -13.714) 14.194 25.806 ( 0.000 3.888 -21.299) 21.651 27.511 ( 0.000 -3.325 3.659) 4.944 27.563 ( 0.000 -3.380 5.379) 6.353 27.578 ( 0.000 -2.531 -3.306) 4.164 27.661 ( 0.000 -3.268 -4.930) 5.914 28.118 ( 0.000 6.231 5.576) 8.362 28.222 ( 0.000 8.414 -5.212) 9.897 28.273 ( 0.000 -3.194 17.037) 17.334 28.573 ( 0.000 -5.199 -14.634) 15.530 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -1.232 9.328 11.486) 14.848 1.668 ( 3.830 7.325 10.321) 13.223 1.721 ( -6.308 5.953 -8.807) 12.361 1.802 ( 2.370 0.064 0.085) 2.372 1.851 ( 4.733 4.844 1.628) 6.966 2.065 ( 5.384 8.260 -13.715) 16.891 2.144 ( 7.076 18.793 1.801) 20.162 2.219 ( 5.960 17.236 -5.418) 19.026 2.683 ( -4.781 3.401 5.220) 7.853 2.745 ( -0.778 -3.324 -0.119) 3.416 2.781 ( -1.305 -1.270 1.440) 2.321 2.854 ( 3.122 -2.368 -4.067) 5.648 2.990 ( 10.182 3.717 2.564) 11.138 3.032 ( 9.454 -0.982 -2.106) 9.735 3.251 ( 7.242 10.993 7.086) 14.950 3.318 ( 3.087 -3.570 5.426) 7.191 3.387 ( 1.067 -7.677 -2.715) 8.212 3.480 ( 8.879 4.884 -3.398) 10.688 3.547 ( 1.805 -2.173 2.971) 4.100 3.608 ( 1.032 -1.356 -1.404) 2.208 3.730 ( -1.511 -0.568 -1.500) 2.203 3.741 ( 0.813 1.335 -3.809) 4.117 3.950 ( 1.162 -0.323 7.411) 7.508 4.050 ( 6.146 0.203 -1.922) 6.443 4.064 ( 8.426 2.109 5.025) 10.035 4.159 ( 2.991 -0.531 -2.640) 4.025 4.276 ( 9.229 -3.664 7.393) 12.380 4.345 ( -2.636 -2.918 12.854) 13.442 4.442 ( 7.176 -2.922 -9.175) 12.009 4.580 ( -4.793 -1.874 -9.114) 10.466 4.662 ( 4.774 -7.171 3.458) 9.283 4.757 ( 4.896 -2.675 -6.523) 8.583 5.013 ( -1.610 3.144 1.721) 3.929 5.040 ( -1.426 3.297 -0.978) 3.723 5.203 ( 2.335 -0.450 2.028) 3.126 5.244 ( 3.881 -1.729 -2.277) 4.821 7.123 ( -7.863 5.485 9.366) 13.403 7.193 ( -2.582 0.226 4.809) 5.463 7.316 ( -1.344 0.393 -2.642) 2.990 7.329 ( -6.740 5.058 -6.480) 10.630 7.441 ( 1.991 4.981 7.022) 8.836 7.560 ( -0.136 1.819 -2.484) 3.082 7.722 ( -2.193 -3.187 0.652) 3.923 7.788 ( -5.507 1.005 -5.319) 7.722 7.876 ( 0.075 -2.620 0.889) 2.768 7.907 ( -0.836 -2.155 -2.282) 3.248 8.068 ( -1.800 1.029 3.573) 4.131 8.138 ( -4.501 1.869 -3.715) 6.128 8.530 ( 4.236 -1.071 6.297) 7.664 8.668 ( 7.186 -3.306 -8.112) 11.330 8.899 ( -0.989 -1.299 7.453) 7.630 8.997 ( -0.280 -0.548 -0.424) 0.747 9.047 ( 1.658 -9.976 -0.309) 10.117 9.102 ( 0.246 9.238 -5.138) 10.574 9.622 ( 1.003 4.180 4.902) 6.520 9.734 ( 3.342 3.503 -6.667) 8.239 10.078 ( 3.668 -3.742 9.637) 10.970 10.287 ( 1.676 -2.449 -10.923) 11.319 10.416 ( 1.449 -12.243 4.727) 13.204 10.544 ( 1.074 -5.805 -7.936) 9.890 10.888 ( -3.203 -6.869 3.651) 8.412 10.957 ( -3.577 -10.145 -3.474) 11.304 11.119 ( -4.937 -6.045 4.910) 9.220 11.200 ( -5.204 -7.383 -3.625) 9.733 12.293 ( -5.653 6.835 14.464) 16.967 12.551 ( -9.686 7.441 -12.283) 17.322 12.819 ( -0.342 -5.503 7.475) 9.289 12.978 ( 0.932 -3.751 -8.536) 9.370 13.825 ( -9.382 18.623 11.308) 23.721 14.043 ( -8.134 18.994 -11.634) 23.712 14.759 ( -7.708 -10.809 10.493) 16.922 14.968 ( -7.052 -10.374 -10.928) 16.636 15.395 ( 7.424 3.541 8.498) 11.827 15.474 ( 3.187 1.640 5.717) 6.747 15.688 ( 12.021 -2.687 -2.472) 12.563 15.813 ( 4.029 -3.478 -10.918) 12.146 16.551 ( 7.704 1.325 4.962) 9.259 16.637 ( 7.974 2.980 -3.894) 9.361 16.762 ( 0.522 -3.316 10.028) 10.575 16.942 ( -0.050 -3.985 -8.585) 9.465 24.612 ( -0.082 0.671 4.968) 5.014 24.712 ( -0.043 -0.082 -5.506) 5.507 24.727 ( -0.158 -1.854 2.586) 3.186 24.774 ( 0.327 -1.133 -2.315) 2.598 25.365 ( -3.498 3.482 15.898) 16.646 25.408 ( -0.892 1.277 15.041) 15.121 25.637 ( -3.780 4.143 -12.887) 14.055 25.736 ( -5.065 3.779 -17.803) 18.891 27.418 ( -5.870 -0.590 3.754) 6.993 27.475 ( -5.362 -0.712 -1.129) 5.526 27.581 ( -1.763 -4.727 2.113) 5.470 27.655 ( -2.103 -5.044 -4.433) 7.036 28.162 ( 1.430 4.116 7.322) 8.520 28.235 ( 3.359 5.364 3.777) 7.370 28.383 ( 6.603 -1.615 4.082) 7.929 28.601 ( 4.016 -4.322 -13.900) 15.101 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.167 7.808 3.260) 8.463 1.580 ( -5.100 6.495 -4.149) 9.242 1.754 ( 3.548 1.643 5.664) 6.883 1.854 ( 2.134 -2.272 -3.837) 4.944 1.969 ( 4.745 7.100 7.276) 11.219 2.137 ( 1.160 6.625 -8.156) 10.572 2.274 ( 4.301 13.457 1.819) 14.244 2.332 ( 4.941 13.550 -4.071) 14.986 2.604 ( -1.988 1.382 5.745) 6.234 2.703 ( -1.284 -1.509 -5.115) 5.485 2.805 ( 3.209 3.397 8.484) 9.686 2.977 ( 6.043 3.895 -9.366) 11.807 3.129 ( -0.010 -4.177 3.766) 5.625 3.181 ( 3.450 -6.540 -1.880) 7.630 3.356 ( 4.483 2.395 1.161) 5.213 3.390 ( -1.599 -0.534 0.459) 1.747 3.488 ( 8.765 -0.183 7.001) 11.219 3.621 ( 3.719 -2.340 -3.489) 5.611 3.646 ( 3.722 -1.964 5.467) 6.899 3.672 ( 2.895 1.256 5.622) 6.447 3.764 ( 8.915 1.071 -4.122) 9.880 3.816 ( 7.359 2.969 -6.527) 10.275 3.974 ( 3.159 1.857 4.143) 5.530 4.074 ( -1.618 -0.310 -5.082) 5.342 4.195 ( -0.354 0.369 9.254) 9.269 4.318 ( 8.300 -1.234 -1.809) 8.584 4.412 ( 9.084 1.780 3.299) 9.827 4.477 ( 2.860 -3.340 2.238) 4.934 4.507 ( 8.094 3.941 -0.467) 9.014 4.637 ( 10.460 -1.860 -6.242) 12.323 4.830 ( 9.022 -3.216 1.620) 9.714 4.880 ( 5.110 -0.539 -2.836) 5.869 5.038 ( 5.156 3.216 2.139) 6.442 5.078 ( 7.191 3.111 -1.975) 8.080 5.265 ( 4.080 -1.100 2.595) 4.959 5.334 ( 5.379 -3.897 -4.689) 8.131 6.985 ( -4.728 5.090 7.586) 10.286 7.104 ( -5.200 2.705 -1.322) 6.009 7.196 ( -5.255 1.854 -0.323) 5.582 7.268 ( -3.657 -0.511 -4.405) 5.748 7.446 ( -1.041 5.323 7.286) 9.083 7.526 ( -2.269 -1.238 1.668) 3.076 7.676 ( -3.089 -1.689 -2.274) 4.191 7.687 ( -3.239 3.494 -5.509) 7.283 7.846 ( -2.944 -4.315 0.833) 5.290 7.865 ( -2.810 -3.434 -1.125) 4.578 8.053 ( 0.523 1.782 2.587) 3.184 8.103 ( 0.064 3.000 -2.521) 3.919 8.592 ( 1.519 -2.606 8.058) 8.603 8.750 ( 0.987 -2.558 -7.969) 8.428 8.878 ( -1.001 4.570 8.197) 9.438 8.979 ( -1.651 0.320 -0.447) 1.740 9.046 ( -1.610 -13.290 -1.029) 13.427 9.092 ( -1.756 1.790 -7.280) 7.700 9.665 ( 2.723 6.938 7.936) 10.887 9.820 ( 4.297 5.020 -7.835) 10.249 10.167 ( 4.255 -3.641 9.234) 10.800 10.339 ( 2.917 -4.701 -6.452) 8.499 10.435 ( -0.025 -9.345 1.280) 9.432 10.542 ( -1.473 -6.875 -8.294) 10.873 10.814 ( -3.581 -8.654 3.191) 9.894 10.868 ( -4.269 -12.067 -1.679) 12.910 10.989 ( -6.378 -7.768 2.816) 10.438 11.058 ( -7.569 -7.084 -3.717) 11.013 12.164 ( -5.924 9.172 10.193) 14.938 12.345 ( -8.970 10.660 -8.747) 16.450 12.780 ( -2.854 -7.343 10.227) 12.909 12.976 ( -1.029 -7.171 -10.048) 12.387 13.651 ( -6.391 19.409 11.617) 23.505 13.889 ( -6.045 18.713 -13.192) 23.680 14.590 ( -6.991 -10.041 10.221) 15.943 14.802 ( -6.982 -9.873 -11.824) 16.912 15.507 ( -0.424 4.022 10.790) 11.523 15.578 ( 7.657 4.767 8.471) 12.374 15.810 ( -0.536 2.455 -3.006) 3.918 15.964 ( 9.969 -1.036 -13.846) 17.093 16.728 ( 4.343 -2.272 8.924) 10.181 16.781 ( 6.864 -2.722 5.802) 9.391 16.871 ( 10.569 -2.510 -4.536) 11.772 16.941 ( 0.131 -3.207 -7.985) 8.606 24.608 ( -0.247 0.762 4.918) 4.983 24.708 ( -0.264 0.305 -5.415) 5.430 24.726 ( 0.147 -1.861 3.064) 3.588 24.788 ( 0.991 -1.241 -3.095) 3.479 25.283 ( -3.818 4.298 13.438) 14.616 25.382 ( -1.492 0.502 12.379) 12.478 25.523 ( -5.768 5.564 -10.776) 13.430 25.639 ( -4.449 1.637 -13.532) 14.338 27.307 ( -4.456 0.360 4.319) 6.217 27.382 ( -3.341 -0.013 -2.761) 4.334 27.509 ( -4.311 -5.250 2.338) 7.184 27.583 ( -3.972 -5.303 -4.392) 7.949 28.161 ( -0.582 5.646 8.581) 10.289 28.294 ( 0.525 5.937 -4.495) 7.465 28.500 ( 5.622 -2.770 10.313) 12.068 28.747 ( 7.851 -6.589 -14.198) 17.511 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.250 6.252 -0.627) 6.407 1.531 ( 1.449 6.220 -2.603) 6.896 1.809 ( 1.134 -1.965 3.753) 4.386 1.876 ( -0.198 -4.987 -3.082) 5.866 2.024 ( 1.102 4.609 5.523) 7.277 2.139 ( 0.190 3.977 -5.601) 6.871 2.345 ( 2.077 11.759 2.801) 12.265 2.410 ( 2.148 9.587 -3.687) 10.494 2.626 ( 4.512 2.345 6.856) 8.536 2.731 ( 3.574 5.713 -2.264) 7.109 2.886 ( 3.681 2.428 5.889) 7.357 3.000 ( -6.066 4.147 -0.131) 7.349 3.107 ( 0.972 -3.639 -1.822) 4.184 3.177 ( -2.014 -6.496 -5.229) 8.578 3.323 ( -3.137 5.173 7.263) 9.452 3.421 ( 1.380 2.469 -3.063) 4.170 3.604 ( 1.908 -2.719 5.159) 6.136 3.674 ( 2.740 -1.593 -2.390) 3.970 3.704 ( 1.126 -1.894 1.418) 2.621 3.737 ( 3.839 -0.395 -2.690) 4.705 3.879 ( 0.585 -5.659 4.700) 7.380 3.942 ( 3.804 -0.694 0.600) 3.913 4.020 ( -2.044 -1.615 -2.826) 3.844 4.099 ( 2.445 -1.271 -7.527) 8.015 4.245 ( 6.525 5.546 9.233) 12.593 4.391 ( 4.352 3.266 -5.617) 7.820 4.491 ( -0.561 -1.447 4.370) 4.638 4.550 ( 1.357 -0.838 -1.188) 1.989 4.813 ( 12.456 3.190 3.698) 13.379 4.862 ( 6.371 1.415 -1.188) 6.633 4.960 ( 6.789 2.718 1.655) 7.498 5.000 ( 10.618 4.160 -1.257) 11.473 5.165 ( 3.568 -0.094 4.149) 5.474 5.261 ( 5.150 1.462 -5.285) 7.523 5.429 ( 11.331 -0.797 2.434) 11.617 5.508 ( 10.193 -3.014 -5.787) 12.103 6.927 ( -0.998 2.406 5.571) 6.150 7.018 ( -2.497 1.467 -0.940) 3.045 7.087 ( -5.003 0.022 0.902) 5.084 7.173 ( -4.741 -0.290 -5.205) 7.047 7.432 ( 0.042 4.907 7.121) 8.649 7.487 ( -1.313 -2.403 3.956) 4.812 7.611 ( -2.480 -1.253 -4.549) 5.331 7.627 ( -2.726 0.568 -5.062) 5.778 7.784 ( -2.427 -2.711 1.258) 3.850 7.811 ( -1.958 -1.718 -1.698) 3.109 8.060 ( -0.288 1.215 2.446) 2.746 8.105 ( -0.051 2.106 -2.241) 3.076 8.601 ( -0.452 -1.265 6.968) 7.097 8.731 ( -2.275 -0.344 -6.107) 6.527 8.861 ( -0.498 7.253 8.275) 11.015 8.926 ( -3.049 -5.686 2.774) 7.023 9.001 ( -2.053 -12.825 -3.232) 13.384 9.046 ( -1.738 6.338 -8.773) 10.962 9.714 ( 1.594 7.802 9.704) 12.553 9.894 ( 2.447 5.878 -8.497) 10.618 10.240 ( 2.457 -4.022 9.591) 10.687 10.391 ( 1.316 -10.182 -1.535) 10.381 10.414 ( -1.156 -4.486 -3.057) 5.551 10.503 ( -1.678 -8.289 -9.324) 12.588 10.717 ( -4.838 -2.311 5.636) 7.779 10.812 ( -1.219 -8.992 -2.812) 9.500 10.881 ( -4.058 -10.852 0.565) 11.600 10.934 ( -3.111 -16.165 -3.268) 16.783 12.063 ( -3.465 9.986 7.280) 12.835 12.196 ( -4.995 11.589 -6.503) 14.197 12.722 ( -2.210 -8.388 11.851) 14.687 12.951 ( -1.025 -9.791 -11.827) 15.388 13.556 ( -2.926 19.957 11.406) 23.172 13.789 ( -3.433 19.387 -12.868) 23.521 14.487 ( -2.887 -9.334 10.081) 14.039 14.700 ( -2.817 -9.265 -12.104) 15.501 15.478 ( -1.666 6.135 10.764) 12.501 15.656 ( -0.004 9.334 -5.453) 10.810 15.814 ( 1.587 0.774 13.853) 13.965 16.121 ( 4.779 -0.123 -15.672) 16.385 16.753 ( 0.432 -0.612 9.968) 9.997 16.927 ( 1.324 -2.249 -6.513) 7.016 16.962 ( 5.168 -5.024 4.115) 8.300 17.072 ( 6.981 -4.728 -5.721) 10.189 24.602 ( -0.253 0.908 4.738) 4.831 24.703 ( -0.161 0.770 -5.833) 5.885 24.732 ( 0.310 -2.172 4.169) 4.711 24.811 ( 0.968 -1.617 -3.716) 4.167 25.218 ( -2.158 4.331 11.636) 12.602 25.351 ( -1.348 -0.106 10.253) 10.342 25.434 ( -2.324 4.883 -10.208) 11.552 25.546 ( -4.068 0.851 -10.195) 11.009 27.234 ( -2.463 0.405 4.930) 5.526 27.330 ( -1.692 0.103 -4.749) 5.042 27.428 ( -2.935 -5.262 3.655) 7.047 27.512 ( -2.480 -4.844 -4.546) 7.091 28.150 ( -0.422 7.694 7.494) 10.749 28.279 ( -1.112 8.021 -5.980) 10.066 28.607 ( 3.836 -4.080 13.287) 14.419 28.878 ( 4.257 -8.819 -14.684) 17.650 ======================= Grid point 148 (55/60) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 5.816 0.756) 5.865 1.554 ( -0.000 5.777 -4.671) 7.429 1.812 ( 0.000 -3.118 2.859) 4.230 1.867 ( 0.000 -5.976 -2.951) 6.665 2.037 ( 0.000 3.194 5.496) 6.357 2.148 ( 0.000 3.322 -5.357) 6.304 2.359 ( -0.000 9.827 3.118) 10.309 2.429 ( -0.000 8.590 -3.906) 9.437 2.733 ( -0.000 0.870 7.375) 7.426 2.813 ( -0.000 13.177 1.406) 13.252 2.836 ( 0.000 3.081 7.138) 7.774 2.947 ( 0.000 0.194 -4.126) 4.130 3.090 ( -0.000 -8.628 -0.387) 8.637 3.170 ( 0.000 0.546 -6.576) 6.598 3.285 ( 0.000 6.308 9.273) 11.215 3.433 ( 0.000 2.642 -5.304) 5.926 3.618 ( 0.000 -3.333 5.673) 6.580 3.707 ( 0.000 -1.164 -2.321) 2.597 3.717 ( 0.000 -1.856 0.974) 2.096 3.778 ( 0.000 0.579 -4.801) 4.836 3.890 ( 0.000 -5.817 3.772) 6.933 3.968 ( 0.000 -1.210 5.984) 6.105 3.991 ( 0.000 -2.540 -6.192) 6.693 4.104 ( 0.000 -1.026 -7.549) 7.618 4.371 ( -0.000 3.978 9.317) 10.131 4.429 ( 0.000 -1.437 5.515) 5.699 4.506 ( 0.000 -1.065 -2.641) 2.848 4.516 ( 0.000 2.372 -5.622) 6.101 4.893 ( 0.000 1.416 1.298) 1.921 4.921 ( 0.000 1.482 -1.504) 2.111 5.128 ( 0.000 -0.417 4.803) 4.821 5.145 ( 0.000 7.606 7.994) 11.034 5.191 ( -0.000 -2.187 -1.736) 2.792 5.304 ( 0.000 6.564 -8.305) 10.586 5.574 ( 0.000 -0.290 1.496) 1.523 5.635 ( 0.000 -1.346 -5.037) 5.213 6.924 ( 0.000 -0.220 4.806) 4.811 6.996 ( -0.000 0.038 6.318) 6.318 7.022 ( 0.000 -0.016 -5.310) 5.310 7.112 ( -0.000 0.363 -5.998) 6.009 7.439 ( 0.000 6.826 7.810) 10.373 7.470 ( 0.000 -4.161 6.635) 7.832 7.587 ( 0.000 -4.860 -5.608) 7.421 7.589 ( -0.000 1.974 -7.374) 7.634 7.757 ( 0.000 -1.934 1.616) 2.521 7.790 ( 0.000 -0.766 -1.968) 2.112 8.052 ( 0.000 0.438 2.852) 2.886 8.104 ( 0.000 0.695 -2.504) 2.599 8.591 ( 0.000 0.317 5.581) 5.590 8.694 ( 0.000 0.573 -5.006) 5.039 8.857 ( 0.000 12.626 8.410) 15.170 8.887 ( 0.000 -12.786 4.781) 13.651 8.978 ( 0.000 -12.322 -4.572) 13.143 9.029 ( 0.000 9.873 -9.071) 13.407 9.730 ( 0.000 7.662 10.221) 12.774 9.919 ( 0.000 5.883 -8.959) 10.718 10.265 ( 0.000 -4.263 10.335) 11.179 10.382 ( 0.000 -7.066 0.477) 7.083 10.422 ( -0.000 -11.782 -3.840) 12.392 10.481 ( 0.000 -4.496 -11.708) 12.541 10.662 ( 0.000 -0.081 6.840) 6.841 10.797 ( 0.000 -0.816 -7.089) 7.136 10.838 ( 0.000 -16.442 3.978) 16.917 10.908 ( 0.000 -21.926 -3.236) 22.163 12.026 ( 0.000 10.065 6.264) 11.855 12.142 ( 0.000 11.613 -5.777) 12.970 12.697 ( 0.000 -8.847 12.428) 15.256 12.939 ( 0.000 -11.072 -12.639) 16.803 13.525 ( 0.000 20.463 11.182) 23.319 13.752 ( 0.000 20.034 -12.361) 23.541 14.459 ( 0.000 -9.089 10.076) 13.570 14.673 ( -0.000 -9.154 -12.224) 15.271 15.458 ( 0.000 6.835 10.348) 12.402 15.646 ( 0.000 11.300 -9.166) 14.550 15.837 ( 0.000 -0.489 18.599) 18.605 16.170 ( 0.000 -0.097 -15.889) 15.889 16.758 ( 0.000 0.198 9.651) 9.653 16.932 ( 0.000 -0.998 -8.323) 8.382 17.028 ( 0.000 -6.142 6.361) 8.842 17.148 ( 0.000 -5.352 -6.027) 8.060 24.600 ( -0.000 0.976 4.664) 4.765 24.702 ( -0.000 0.957 -6.152) 6.226 24.736 ( 0.000 -2.356 4.777) 5.327 24.822 ( 0.000 -1.805 -3.947) 4.340 25.195 ( 0.000 4.234 11.186) 11.960 25.335 ( 0.000 -0.311 9.193) 9.199 25.416 ( 0.000 4.261 -11.468) 12.234 25.494 ( -0.000 0.791 -7.526) 7.567 27.207 ( 0.000 0.404 5.104) 5.120 27.312 ( 0.000 0.296 -5.851) 5.858 27.397 ( -0.000 -5.341 4.611) 7.056 27.485 ( 0.000 -4.610 -4.583) 6.500 28.145 ( 0.000 8.438 6.920) 10.913 28.266 ( 0.000 8.885 -5.640) 10.524 28.648 ( 0.000 -4.640 13.595) 14.365 28.923 ( 0.000 -9.518 -14.723) 17.532 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 1.931 8.951) 9.157 1.675 ( 0.000 -1.802 4.252) 4.618 1.783 ( 0.000 1.071 -6.405) 6.494 1.821 ( 0.000 -2.801 -10.354) 10.726 2.048 ( 0.000 19.579 9.124) 21.601 2.255 ( 0.000 16.849 -11.801) 20.570 2.404 ( 0.000 -7.575 6.895) 10.243 2.522 ( 0.000 9.012 -3.761) 9.766 2.578 ( 0.000 6.822 -0.964) 6.890 2.628 ( 0.000 -4.064 -7.827) 8.820 2.784 ( 0.000 -3.119 -0.375) 3.142 2.800 ( 0.000 -5.613 -1.848) 5.910 2.947 ( 0.000 3.491 0.696) 3.560 2.966 ( 0.000 4.582 -0.676) 4.632 3.087 ( 0.000 -10.419 0.904) 10.458 3.114 ( 0.000 -11.560 -1.428) 11.648 3.445 ( 0.000 3.502 9.627) 10.244 3.487 ( 0.000 -1.940 8.303) 8.527 3.556 ( 0.000 8.782 0.050) 8.782 3.592 ( 0.000 0.108 -1.728) 1.731 3.729 ( 0.000 7.053 5.958) 9.233 3.873 ( 0.000 8.836 -6.497) 10.968 3.909 ( 0.000 -2.269 5.094) 5.576 3.991 ( 0.000 -2.164 -3.257) 3.911 4.039 ( 0.000 2.440 3.815) 4.529 4.075 ( 0.000 -4.514 8.039) 9.220 4.121 ( 0.000 0.649 -1.649) 1.772 4.243 ( 0.000 -8.833 -7.466) 11.566 4.355 ( 0.000 2.506 13.441) 13.673 4.454 ( 0.000 -6.196 8.947) 10.883 4.633 ( 0.000 -0.315 -14.042) 14.045 4.639 ( 0.000 -0.556 -9.668) 9.684 5.094 ( 0.000 2.879 1.830) 3.411 5.124 ( 0.000 2.909 -1.337) 3.202 5.150 ( 0.000 -2.075 2.055) 2.920 5.178 ( 0.000 -1.776 -0.828) 1.960 7.248 ( 0.000 2.586 6.928) 7.395 7.304 ( 0.000 -1.745 10.148) 10.297 7.346 ( 0.000 4.522 -2.578) 5.205 7.450 ( 0.000 -2.754 -4.293) 5.100 7.452 ( 0.000 2.892 7.748) 8.270 7.538 ( 0.000 -7.807 8.132) 11.273 7.643 ( 0.000 4.562 -10.985) 11.895 7.739 ( 0.000 -5.219 -11.576) 12.698 7.966 ( 0.000 5.411 3.049) 6.211 8.034 ( 0.000 6.430 -3.994) 7.570 8.065 ( 0.000 -3.183 4.216) 5.283 8.165 ( 0.000 -5.352 -6.485) 8.409 8.534 ( 0.000 4.690 3.460) 5.829 8.599 ( 0.000 4.603 -3.343) 5.689 8.678 ( 0.000 -9.564 3.443) 10.165 8.741 ( 0.000 -9.757 -3.127) 10.246 9.364 ( 0.000 18.443 2.643) 18.632 9.413 ( 0.000 16.249 -2.645) 16.462 9.636 ( 0.000 -3.017 0.896) 3.147 9.662 ( 0.000 -7.174 -1.919) 7.426 9.959 ( 0.000 -2.045 13.000) 13.160 10.070 ( 0.000 -14.572 12.558) 19.236 10.242 ( 0.000 0.187 -16.037) 16.038 10.334 ( 0.000 -9.281 -14.574) 17.278 10.918 ( 0.000 3.594 2.838) 4.580 10.955 ( 0.000 3.593 -1.230) 3.798 11.032 ( 0.000 -6.628 3.827) 7.653 11.085 ( 0.000 -7.937 -1.955) 8.174 12.521 ( 0.000 8.844 14.410) 16.908 12.691 ( 0.000 -6.958 10.941) 12.966 12.801 ( 0.000 5.829 -14.842) 15.946 12.905 ( 0.000 -3.850 -11.213) 11.856 14.299 ( 0.000 15.383 11.928) 19.465 14.523 ( 0.000 15.768 -11.672) 19.618 14.597 ( 0.000 -13.209 11.279) 17.369 14.814 ( 0.000 -12.187 -11.273) 16.602 15.362 ( 0.000 1.186 8.725) 8.805 15.398 ( 0.000 -2.674 12.196) 12.486 15.535 ( 0.000 3.894 -9.094) 9.893 15.622 ( 0.000 -4.579 -11.288) 12.182 16.560 ( 0.000 5.057 7.207) 8.804 16.668 ( 0.000 -4.996 9.220) 10.487 16.691 ( 0.000 7.091 -6.399) 9.552 16.833 ( 0.000 -6.254 -7.984) 10.142 24.638 ( 0.000 1.803 4.014) 4.401 24.683 ( 0.000 -2.330 3.134) 3.905 24.719 ( 0.000 0.882 -4.474) 4.560 24.744 ( 0.000 -1.376 -3.319) 3.593 25.438 ( 0.000 1.275 16.410) 16.460 25.450 ( 0.000 0.282 19.039) 19.041 25.753 ( 0.000 3.879 -16.404) 16.856 25.819 ( 0.000 -1.919 -19.451) 19.545 27.474 ( 0.000 -0.196 4.633) 4.637 27.499 ( 0.000 -2.381 5.361) 5.866 27.558 ( 0.000 0.571 -4.104) 4.143 27.595 ( 0.000 -2.774 -4.756) 5.506 28.213 ( 0.000 2.824 8.521) 8.977 28.244 ( 0.000 -0.620 12.634) 12.650 28.372 ( 0.000 5.936 -7.974) 9.941 28.476 ( 0.000 -4.386 -11.524) 12.331 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.182 3.495 6.784) 7.633 1.697 ( 1.735 -2.320 3.486) 4.533 1.780 ( -3.102 0.563 -7.996) 8.596 1.791 ( 0.202 -0.476 -5.597) 5.621 2.120 ( 4.495 16.971 7.083) 18.931 2.281 ( 0.995 13.377 -8.941) 16.121 2.464 ( 2.173 -13.576 5.209) 14.702 2.536 ( -0.035 2.713 -1.690) 3.196 2.556 ( -0.828 12.285 -0.465) 12.322 2.618 ( 1.356 3.896 -6.872) 8.015 2.802 ( 1.657 -4.661 0.265) 4.953 2.833 ( 4.670 -5.369 -3.173) 7.791 3.023 ( 6.042 2.740 0.284) 6.640 3.033 ( 5.412 2.996 -0.128) 6.187 3.142 ( 5.401 -7.751 0.849) 9.485 3.170 ( 5.710 -9.073 -1.775) 10.866 3.495 ( 4.455 1.531 8.117) 9.385 3.513 ( 1.208 -0.539 6.961) 7.085 3.566 ( 0.611 3.573 1.625) 3.972 3.617 ( 3.467 -0.822 -3.169) 4.768 3.763 ( 2.468 10.431 7.806) 13.260 3.896 ( 0.477 5.066 -0.216) 5.093 3.953 ( 2.888 1.536 0.240) 3.280 4.039 ( 3.144 -2.578 -3.952) 5.671 4.102 ( 6.273 1.566 3.363) 7.287 4.162 ( 5.934 1.573 -0.504) 6.160 4.166 ( 7.306 -4.527 5.269) 10.081 4.304 ( 6.458 -9.051 -7.342) 13.324 4.382 ( 3.804 5.524 10.607) 12.550 4.520 ( 6.458 -6.788 8.587) 12.709 4.608 ( -0.105 4.014 -11.096) 11.800 4.697 ( 4.192 -3.611 -9.556) 11.042 5.089 ( -0.025 3.926 1.982) 4.398 5.116 ( -0.259 3.638 -0.592) 3.695 5.168 ( 1.409 -2.799 1.308) 3.395 5.193 ( 1.324 -3.114 -1.164) 3.578 7.203 ( -5.335 1.920 8.614) 10.312 7.210 ( -4.223 1.201 7.854) 8.998 7.331 ( -2.231 1.950 -4.378) 5.287 7.382 ( -5.556 -0.936 -7.235) 9.171 7.503 ( 2.290 1.066 7.743) 8.145 7.533 ( -0.715 -2.709 7.455) 7.964 7.664 ( 0.148 0.072 -7.176) 7.178 7.723 ( -2.208 -4.633 -9.960) 11.205 7.927 ( -2.846 5.928 2.387) 6.996 7.978 ( -3.301 6.345 -2.420) 7.550 8.050 ( -1.576 -3.133 2.227) 4.154 8.118 ( -2.501 -4.369 -4.379) 6.672 8.554 ( 1.467 3.396 4.640) 5.934 8.639 ( 2.453 0.280 -3.006) 3.890 8.693 ( 1.427 -8.221 1.711) 8.518 8.754 ( 1.011 -9.049 -3.449) 9.736 9.365 ( -0.210 20.103 3.039) 20.333 9.421 ( 0.567 17.580 -3.091) 17.859 9.673 ( 3.243 -2.237 1.433) 4.192 9.702 ( 3.630 -8.724 -1.881) 9.634 9.992 ( 2.729 -3.439 12.196) 12.962 10.068 ( -0.427 -14.272 12.030) 18.671 10.255 ( 1.254 -1.055 -14.613) 14.705 10.329 ( -0.701 -9.623 -14.545) 17.454 10.871 ( -4.187 3.511 3.078) 6.271 10.908 ( -4.055 3.346 -0.641) 5.296 10.988 ( -4.108 -5.925 2.922) 7.779 11.040 ( -4.101 -7.422 -2.387) 8.809 12.478 ( -3.769 9.686 13.032) 16.669 12.657 ( -3.099 -5.371 8.764) 10.736 12.739 ( -5.327 5.293 -11.148) 13.442 12.877 ( -2.695 -6.015 -11.009) 12.831 14.188 ( -8.235 16.177 11.337) 21.402 14.406 ( -8.288 14.984 -10.423) 20.047 14.505 ( -7.555 -12.606 9.377) 17.433 14.718 ( -7.719 -13.420 -11.813) 19.474 15.459 ( 8.340 2.363 11.473) 14.379 15.488 ( 6.386 -0.388 12.831) 14.338 15.688 ( 11.888 2.036 -10.422) 15.940 15.746 ( 8.406 -3.091 -12.159) 15.101 16.600 ( 3.836 3.343 6.992) 8.648 16.680 ( 1.262 -3.841 8.750) 9.639 16.728 ( 3.643 4.947 -5.939) 8.545 16.842 ( 0.891 -5.469 -7.771) 9.544 24.638 ( -0.077 1.784 4.150) 4.518 24.682 ( -0.113 -2.291 3.316) 4.032 24.721 ( 0.181 0.938 -4.640) 4.737 24.747 ( 0.295 -1.404 -3.584) 3.861 25.416 ( -2.200 1.452 16.199) 16.412 25.428 ( -1.788 0.301 16.940) 17.037 25.715 ( -3.571 3.294 -15.289) 16.042 25.764 ( -4.706 -0.963 -17.603) 18.246 27.420 ( -4.266 0.945 4.684) 6.406 27.454 ( -3.795 -1.757 4.483) 6.131 27.518 ( -3.348 -0.306 -3.750) 5.036 27.560 ( -3.232 -3.675 -4.685) 6.775 28.245 ( 2.265 3.492 9.430) 10.308 28.291 ( 4.374 -0.451 10.464) 11.350 28.418 ( 3.159 4.315 -7.657) 9.339 28.512 ( 3.495 -4.349 -11.002) 12.336 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.360 5.174 2.067) 5.584 1.701 ( -3.681 4.957 -3.955) 7.332 1.733 ( 1.351 -3.232 1.646) 3.870 1.790 ( -0.602 -3.675 -3.914) 5.402 2.176 ( 0.905 11.992 4.803) 12.950 2.279 ( -0.732 8.828 -5.002) 10.173 2.430 ( -2.412 -9.339 1.700) 9.794 2.482 ( -1.855 -4.823 -3.319) 6.141 2.642 ( 4.710 11.679 0.888) 12.625 2.679 ( 3.545 9.068 -3.094) 10.216 2.861 ( 2.595 -5.712 2.709) 6.834 2.917 ( 2.182 -10.656 -3.197) 11.337 3.132 ( 4.161 7.841 2.394) 9.194 3.168 ( 6.287 5.881 -1.557) 8.748 3.294 ( 6.745 -5.203 1.391) 8.632 3.322 ( 6.968 -7.464 -1.016) 10.261 3.526 ( 0.972 2.595 8.004) 8.470 3.581 ( 2.106 -2.599 5.170) 6.158 3.622 ( 5.195 1.775 -0.513) 5.514 3.674 ( 1.166 -2.158 -1.829) 3.059 3.836 ( 3.486 4.723 5.931) 8.344 3.880 ( -0.571 1.253 4.650) 4.850 4.019 ( 2.897 1.575 -6.755) 7.516 4.047 ( -1.682 -1.548 -7.421) 7.764 4.239 ( 5.986 3.997 7.589) 10.459 4.339 ( 8.299 2.883 -2.030) 9.017 4.357 ( 7.667 -5.750 5.161) 10.885 4.433 ( 5.181 -2.988 -0.980) 6.061 4.613 ( 16.571 5.292 0.586) 17.406 4.686 ( 9.444 8.019 -5.349) 13.494 4.743 ( 13.657 -5.490 3.979) 15.248 4.833 ( 8.631 -4.717 -5.041) 11.053 5.115 ( 2.910 4.165 2.811) 5.806 5.143 ( 4.040 3.205 0.258) 5.163 5.217 ( 3.881 -3.217 0.395) 5.056 5.245 ( 4.468 -4.454 -2.297) 6.713 7.079 ( -5.459 3.621 7.915) 10.274 7.125 ( -4.511 -0.543 6.747) 8.134 7.244 ( -6.670 1.784 -7.520) 10.209 7.264 ( -4.651 -0.170 -6.263) 7.803 7.490 ( -2.857 0.420 5.328) 6.060 7.501 ( -2.279 -0.333 4.926) 5.438 7.618 ( -3.795 -3.292 -3.757) 6.274 7.641 ( -4.922 -4.982 -5.426) 8.859 7.881 ( -1.288 7.357 2.772) 7.967 7.942 ( -0.374 8.148 -3.491) 8.872 8.033 ( 0.126 -4.361 2.739) 5.151 8.098 ( 0.124 -4.419 -3.849) 5.861 8.578 ( 0.606 1.914 6.093) 6.415 8.664 ( 0.075 -4.792 1.436) 5.003 8.723 ( 0.580 -4.940 -3.196) 5.913 8.770 ( 0.279 -7.988 -4.044) 8.958 9.348 ( -1.364 23.344 4.011) 23.725 9.425 ( -0.260 20.876 -4.282) 21.312 9.758 ( 4.390 -3.538 2.272) 6.079 9.793 ( 4.426 -12.090 -1.679) 12.984 10.037 ( -1.523 -11.751 11.941) 16.823 10.060 ( 2.201 -7.391 10.278) 12.849 10.284 ( -0.546 -5.090 -12.632) 13.630 10.303 ( -0.141 -7.196 -14.003) 15.745 10.767 ( -4.947 2.293 3.696) 6.587 10.806 ( -5.205 1.866 1.007) 5.621 10.874 ( -5.999 -3.550 0.586) 6.995 10.928 ( -6.052 -5.641 -3.552) 9.004 12.382 ( -4.852 10.876 10.468) 15.856 12.566 ( -5.383 4.864 -2.105) 7.554 12.615 ( -5.503 -3.314 2.040) 6.739 12.800 ( -4.200 -9.536 -10.569) 14.842 14.029 ( -6.061 16.658 10.985) 20.854 14.252 ( -5.814 15.372 -11.525) 20.072 14.347 ( -6.411 -12.690 9.467) 17.081 14.561 ( -6.253 -13.169 -12.181) 18.997 15.593 ( 3.037 3.760 14.436) 15.224 15.637 ( 7.265 0.212 14.738) 16.432 15.872 ( 3.645 3.395 -12.368) 13.333 15.933 ( 9.192 -2.184 -13.960) 16.857 16.704 ( 4.442 0.135 8.007) 9.158 16.730 ( 4.492 -2.084 7.292) 8.814 16.842 ( 6.577 0.053 -6.124) 8.987 16.874 ( 2.290 -2.796 -7.166) 8.026 24.635 ( -0.134 1.811 4.448) 4.804 24.680 ( -0.035 -2.302 3.851) 4.487 24.726 ( 0.219 1.212 -5.039) 5.187 24.757 ( 0.615 -1.650 -4.219) 4.571 25.354 ( -3.184 2.416 14.213) 14.764 25.384 ( -2.299 -0.519 13.773) 13.974 25.613 ( -5.475 3.127 -12.717) 14.194 25.652 ( -5.366 -0.572 -14.016) 15.019 27.326 ( -4.208 1.631 4.893) 6.657 27.371 ( -3.613 -1.858 4.010) 5.708 27.435 ( -4.135 -0.522 -4.028) 5.796 27.480 ( -3.781 -4.052 -4.911) 7.405 28.292 ( 2.077 6.356 8.923) 11.150 28.395 ( 4.744 -1.269 7.745) 9.171 28.469 ( 1.635 4.088 -5.692) 7.196 28.606 ( 4.590 -6.971 -10.318) 13.271 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -1.681 6.032 -1.040) 6.348 1.651 ( 0.431 5.127 -2.073) 5.547 1.747 ( -0.046 -3.873 -0.469) 3.902 1.765 ( -1.518 -5.537 -2.171) 6.138 2.176 ( -0.330 9.711 4.781) 10.829 2.275 ( 0.442 8.865 -4.737) 10.061 2.399 ( -0.738 -8.836 3.354) 9.479 2.472 ( 0.255 -5.333 -4.119) 6.743 2.724 ( 3.252 9.015 0.784) 9.615 2.758 ( 3.923 5.128 -2.889) 7.074 2.881 ( -0.710 -4.828 2.206) 5.355 2.927 ( -0.974 -8.825 -2.750) 9.295 3.209 ( 3.098 12.607 4.909) 13.880 3.262 ( 2.741 6.380 -0.712) 6.980 3.357 ( -0.143 -1.242 5.193) 5.342 3.425 ( 3.003 -4.534 -2.368) 5.931 3.559 ( 1.135 -0.124 8.501) 8.577 3.609 ( 1.024 -4.237 5.270) 6.839 3.693 ( 0.970 0.625 -2.090) 2.387 3.718 ( 2.818 -1.502 -2.769) 4.227 3.847 ( 0.697 2.821 4.557) 5.405 3.921 ( 1.417 -2.760 3.159) 4.428 4.005 ( -1.668 1.415 -9.050) 9.311 4.056 ( 0.694 -2.630 -8.411) 8.840 4.348 ( 4.257 4.453 7.661) 9.831 4.430 ( 1.093 -2.428 5.377) 6.000 4.463 ( 3.458 1.755 -3.219) 5.040 4.518 ( 2.036 -2.388 -2.406) 3.954 4.905 ( 6.005 4.109 0.113) 7.277 4.917 ( 8.544 5.024 -0.939) 9.956 4.978 ( 7.897 -2.014 1.844) 8.356 5.019 ( 8.217 -3.210 -2.376) 9.136 5.218 ( 7.142 6.267 5.849) 11.158 5.315 ( 10.365 4.202 -3.564) 11.739 5.364 ( 10.309 -5.068 2.853) 11.837 5.432 ( 11.896 -4.776 -3.723) 13.349 6.983 ( -3.504 2.799 5.879) 7.394 7.030 ( -4.017 -1.121 5.966) 7.279 7.109 ( -5.359 2.403 -6.358) 8.655 7.157 ( -4.916 -1.516 -6.404) 8.214 7.434 ( -2.209 -0.318 4.739) 5.238 7.455 ( -1.305 -1.825 3.481) 4.141 7.542 ( -2.975 -3.547 -3.494) 5.800 7.549 ( -3.214 -4.619 -3.405) 6.577 7.864 ( -0.636 9.181 3.467) 9.834 7.936 ( -0.432 9.212 -4.083) 10.085 8.031 ( -0.664 -4.804 3.037) 5.722 8.094 ( -0.853 -4.238 -3.340) 5.463 8.580 ( -0.232 1.004 6.022) 6.110 8.658 ( -0.235 -5.471 2.902) 6.198 8.706 ( -1.779 -3.144 -3.351) 4.927 8.765 ( -0.477 -7.611 -4.674) 8.944 9.317 ( -1.217 25.891 4.971) 26.392 9.416 ( -0.417 23.163 -5.362) 23.779 9.839 ( 2.953 -6.761 2.442) 7.771 9.870 ( 2.591 -16.737 -1.010) 16.967 9.984 ( -2.516 -10.828 10.367) 15.201 10.102 ( 1.252 -8.291 10.456) 13.403 10.227 ( -2.841 -2.902 -12.964) 13.585 10.327 ( 0.778 -7.546 -12.019) 14.213 10.687 ( -2.393 -0.494 4.163) 4.827 10.705 ( -3.867 -0.625 4.636) 6.069 10.772 ( -3.195 -0.001 -3.229) 4.542 10.815 ( -3.986 -2.975 -5.127) 7.143 12.293 ( -3.243 11.418 8.495) 14.596 12.457 ( -4.200 12.474 -8.010) 15.408 12.524 ( -3.048 -10.020 9.364) 14.049 12.720 ( -3.004 -12.018 -10.385) 16.165 13.940 ( -2.538 16.790 10.737) 20.090 14.163 ( -2.772 16.269 -12.356) 20.616 14.253 ( -2.596 -13.065 10.196) 16.775 14.468 ( -2.669 -12.927 -12.231) 17.995 15.622 ( 0.196 7.141 14.985) 16.601 15.744 ( 3.004 -3.440 16.808) 17.417 15.901 ( -0.087 9.127 -12.824) 15.740 16.066 ( 3.573 -5.590 -15.548) 16.904 16.768 ( 2.291 2.290 8.486) 9.083 16.845 ( 4.668 -4.761 7.085) 9.729 16.921 ( 2.184 0.986 -7.193) 7.582 16.977 ( 5.052 -4.034 -6.414) 9.107 24.633 ( -0.105 1.963 4.717) 5.110 24.681 ( 0.095 -2.500 4.530) 5.175 24.730 ( 0.161 1.655 -5.491) 5.737 24.770 ( 0.577 -2.104 -4.805) 5.277 25.296 ( -2.100 2.950 11.986) 12.521 25.339 ( -1.767 -1.188 11.313) 11.512 25.516 ( -3.260 2.803 -10.680) 11.513 25.551 ( -3.961 -0.589 -10.880) 11.594 27.255 ( -2.395 1.843 5.060) 5.894 27.313 ( -1.848 -3.216 4.449) 5.792 27.360 ( -2.646 0.798 -4.859) 5.590 27.416 ( -2.181 -3.966 -5.154) 6.860 28.327 ( 1.122 8.681 7.919) 11.804 28.466 ( 1.576 6.617 -2.801) 7.356 28.499 ( 1.604 -3.440 5.231) 6.463 28.682 ( 2.467 -9.835 -9.981) 14.228 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 5.791 -0.108) 5.792 1.659 ( 0.000 4.455 -3.841) 5.882 1.737 ( 0.000 -4.409 -0.694) 4.464 1.749 ( 0.000 -4.939 -1.851) 5.274 2.173 ( 0.000 9.521 5.202) 10.849 2.283 ( 0.000 9.393 -5.996) 11.144 2.391 ( 0.000 -8.977 4.941) 10.247 2.476 ( 0.000 -5.435 -4.321) 6.943 2.767 ( -0.000 5.834 1.360) 5.991 2.822 ( -0.000 -0.400 -4.274) 4.293 2.855 ( 0.000 -1.685 2.394) 2.927 2.902 ( 0.000 -4.411 -2.624) 5.133 3.248 ( -0.000 14.605 4.835) 15.385 3.291 ( -0.000 5.985 0.425) 6.000 3.343 ( 0.000 -0.006 8.276) 8.276 3.457 ( 0.000 -2.374 -4.187) 4.813 3.565 ( 0.000 -0.946 6.987) 7.051 3.623 ( 0.000 -7.283 7.672) 10.579 3.704 ( 0.000 1.133 -4.531) 4.670 3.741 ( 0.000 -1.597 -0.033) 1.598 3.870 ( -0.000 1.732 -0.812) 1.913 3.926 ( 0.000 -2.848 4.535) 5.355 3.987 ( 0.000 2.918 -8.627) 9.107 4.062 ( 0.000 -3.130 -7.863) 8.463 4.416 ( 0.000 0.534 7.549) 7.568 4.416 ( -0.000 -0.018 6.233) 6.233 4.507 ( 0.000 0.801 -3.322) 3.417 4.527 ( 0.000 -0.746 -4.022) 4.091 4.955 ( 0.000 4.383 1.289) 4.569 4.987 ( 0.000 4.860 -2.085) 5.288 5.059 ( 0.000 -5.002 2.530) 5.606 5.104 ( 0.000 -5.630 -2.231) 6.056 5.331 ( 0.000 9.515 7.131) 11.891 5.458 ( 0.000 7.476 -6.070) 9.630 5.505 ( 0.000 -6.356 4.593) 7.841 5.585 ( 0.000 -4.202 -3.956) 5.771 6.944 ( 0.000 1.848 4.908) 5.245 6.982 ( -0.000 -1.396 5.791) 5.957 7.048 ( 0.000 2.281 -5.867) 6.295 7.097 ( 0.000 -1.858 -6.278) 6.547 7.409 ( 0.000 -1.022 5.221) 5.320 7.444 ( -0.000 -3.724 4.166) 5.588 7.505 ( 0.000 -2.300 -4.776) 5.301 7.517 ( -0.000 -3.777 -3.482) 5.137 7.855 ( 0.000 9.469 3.572) 10.121 7.929 ( 0.000 9.391 -4.212) 10.293 8.018 ( 0.000 -4.661 3.248) 5.681 8.078 ( 0.000 -3.996 -3.004) 4.999 8.577 ( 0.000 0.682 5.634) 5.675 8.661 ( -0.000 -7.881 5.223) 9.454 8.678 ( 0.000 0.512 -4.791) 4.818 8.759 ( 0.000 -7.661 -4.924) 9.107 9.304 ( 0.000 26.709 5.414) 27.252 9.412 ( 0.000 23.708 -5.811) 24.410 9.871 ( 0.000 -9.067 2.232) 9.337 9.897 ( 0.000 -18.922 -0.355) 18.926 9.954 ( 0.000 -9.503 9.678) 13.564 10.114 ( 0.000 -9.243 10.618) 14.077 10.193 ( 0.000 -0.012 -12.906) 12.906 10.332 ( 0.000 -8.591 -11.625) 14.455 10.660 ( 0.000 -0.329 5.801) 5.810 10.666 ( -0.000 -2.256 3.997) 4.590 10.739 ( 0.000 0.753 -3.873) 3.945 10.774 ( 0.000 -1.654 -6.116) 6.336 12.257 ( 0.000 11.539 7.771) 13.912 12.410 ( 0.000 13.426 -8.016) 15.636 12.491 ( 0.000 -10.737 9.814) 14.546 12.687 ( 0.000 -12.909 -10.353) 16.547 13.915 ( 0.000 16.893 10.576) 19.931 14.134 ( 0.000 16.577 -12.213) 20.590 14.227 ( 0.000 -13.087 10.203) 16.595 14.442 ( 0.000 -12.969 -12.165) 17.782 15.621 ( 0.000 8.292 15.036) 17.171 15.774 ( 0.000 -5.631 18.015) 18.875 15.895 ( 0.000 11.833 -13.494) 17.948 16.100 ( 0.000 -6.968 -15.996) 17.448 16.794 ( 0.000 3.484 8.499) 9.185 16.897 ( 0.000 -6.011 7.419) 9.549 16.946 ( 0.000 2.642 -7.283) 7.748 17.033 ( 0.000 -5.263 -6.679) 8.503 24.631 ( 0.000 2.066 4.831) 5.254 24.682 ( 0.000 -2.647 4.857) 5.531 24.732 ( 0.000 1.888 -5.702) 6.006 24.777 ( 0.000 -2.339 -5.038) 5.554 25.273 ( 0.000 3.030 11.203) 11.605 25.319 ( 0.000 -1.369 10.264) 10.355 25.484 ( 0.000 2.045 -10.581) 10.777 25.504 ( -0.000 -0.065 -9.047) 9.047 27.229 ( 0.000 1.948 5.090) 5.450 27.294 ( 0.000 -4.200 5.024) 6.548 27.331 ( 0.000 1.830 -5.533) 5.828 27.392 ( 0.000 -3.941 -5.214) 6.536 28.338 ( 0.000 9.510 7.473) 12.095 28.478 ( 0.000 10.996 -6.937) 13.002 28.520 ( 0.000 -7.604 9.573) 12.226 28.708 ( 0.000 -10.874 -9.815) 14.648 =================== 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 3/26880 10.0 875.972 960.089 1207.781 0.000 0.000 0.000 3/26880 20.0 111.485 156.459 135.972 0.000 0.000 0.000 3/26880 30.0 39.737 59.895 47.092 0.000 0.000 0.000 3/26880 40.0 22.102 34.185 25.745 0.000 0.000 0.000 3/26880 50.0 15.199 23.492 17.382 0.000 0.000 0.000 3/26880 60.0 11.628 17.800 13.083 0.000 0.000 0.000 3/26880 70.0 9.435 14.296 10.484 0.000 0.000 0.000 3/26880 80.0 7.938 11.936 8.746 0.000 0.000 0.000 3/26880 90.0 6.849 10.248 7.508 0.000 0.000 0.000 3/26880 100.0 6.020 8.986 6.583 0.000 0.000 0.000 3/26880 110.0 5.370 8.011 5.869 0.000 0.000 0.000 3/26880 120.0 4.848 7.236 5.302 0.000 0.000 0.000 3/26880 130.0 4.420 6.607 4.842 0.000 0.000 0.000 3/26880 140.0 4.063 6.084 4.462 0.000 0.000 0.000 3/26880 150.0 3.761 5.644 4.142 0.000 0.000 0.000 3/26880 160.0 3.502 5.268 3.869 0.000 0.000 0.000 3/26880 170.0 3.278 4.942 3.634 0.000 0.000 0.000 3/26880 180.0 3.082 4.656 3.428 0.000 0.000 0.000 3/26880 190.0 2.909 4.404 3.247 0.000 0.000 0.000 3/26880 200.0 2.756 4.179 3.086 0.000 0.000 0.000 3/26880 210.0 2.618 3.977 2.942 0.000 0.000 0.000 3/26880 220.0 2.494 3.795 2.811 0.000 0.000 0.000 3/26880 230.0 2.382 3.629 2.693 0.000 0.000 0.000 3/26880 240.0 2.279 3.478 2.586 0.000 0.000 0.000 3/26880 250.0 2.186 3.340 2.487 0.000 0.000 0.000 3/26880 260.0 2.100 3.212 2.396 0.000 0.000 0.000 3/26880 270.0 2.021 3.094 2.313 0.000 0.000 0.000 3/26880 280.0 1.948 2.985 2.235 0.000 0.000 0.000 3/26880 290.0 1.880 2.883 2.163 0.000 0.000 0.000 3/26880 300.0 1.816 2.789 2.095 0.000 0.000 0.000 3/26880 310.0 1.757 2.700 2.032 0.000 0.000 0.000 3/26880 320.0 1.702 2.617 1.973 0.000 0.000 0.000 3/26880 330.0 1.650 2.539 1.917 0.000 0.000 0.000 3/26880 340.0 1.602 2.466 1.864 0.000 0.000 0.000 3/26880 350.0 1.556 2.397 1.815 0.000 0.000 0.000 3/26880 360.0 1.513 2.331 1.768 0.000 0.000 0.000 3/26880 370.0 1.472 2.269 1.723 0.000 0.000 0.000 3/26880 380.0 1.433 2.211 1.681 0.000 0.000 0.000 3/26880 390.0 1.397 2.155 1.641 0.000 0.000 0.000 3/26880 400.0 1.362 2.102 1.603 0.000 0.000 0.000 3/26880 410.0 1.329 2.052 1.566 0.000 0.000 0.000 3/26880 420.0 1.297 2.004 1.531 0.000 0.000 0.000 3/26880 430.0 1.268 1.958 1.498 0.000 0.000 0.000 3/26880 440.0 1.239 1.915 1.466 0.000 0.000 0.000 3/26880 450.0 1.212 1.873 1.436 0.000 0.000 0.000 3/26880 460.0 1.185 1.833 1.406 0.000 0.000 0.000 3/26880 470.0 1.160 1.795 1.378 0.000 0.000 0.000 3/26880 480.0 1.136 1.758 1.351 0.000 0.000 0.000 3/26880 490.0 1.113 1.723 1.326 0.000 0.000 0.000 3/26880 500.0 1.091 1.689 1.301 0.000 0.000 0.000 3/26880 510.0 1.070 1.656 1.277 0.000 0.000 0.000 3/26880 520.0 1.050 1.625 1.254 0.000 0.000 0.000 3/26880 530.0 1.030 1.595 1.231 0.000 0.000 0.000 3/26880 540.0 1.011 1.566 1.210 0.000 0.000 0.000 3/26880 550.0 0.993 1.538 1.189 0.000 0.000 0.000 3/26880 560.0 0.975 1.511 1.169 0.000 0.000 0.000 3/26880 570.0 0.958 1.485 1.149 0.000 0.000 0.000 3/26880 580.0 0.942 1.460 1.131 0.000 0.000 0.000 3/26880 590.0 0.926 1.435 1.112 0.000 0.000 0.000 3/26880 600.0 0.911 1.412 1.095 0.000 0.000 0.000 3/26880 610.0 0.896 1.389 1.078 0.000 0.000 0.000 3/26880 620.0 0.882 1.367 1.061 0.000 0.000 0.000 3/26880 630.0 0.868 1.346 1.045 0.000 0.000 0.000 3/26880 640.0 0.854 1.325 1.030 0.000 0.000 0.000 3/26880 650.0 0.841 1.305 1.014 0.000 0.000 0.000 3/26880 660.0 0.829 1.285 1.000 0.000 0.000 0.000 3/26880 670.0 0.816 1.266 0.985 0.000 0.000 0.000 3/26880 680.0 0.805 1.248 0.972 0.000 0.000 0.000 3/26880 690.0 0.793 1.230 0.958 0.000 0.000 0.000 3/26880 700.0 0.782 1.213 0.945 0.000 0.000 0.000 3/26880 710.0 0.771 1.196 0.932 0.000 0.000 0.000 3/26880 720.0 0.760 1.180 0.920 0.000 0.000 0.000 3/26880 730.0 0.750 1.164 0.908 0.000 0.000 0.000 3/26880 740.0 0.740 1.148 0.896 0.000 0.000 0.000 3/26880 750.0 0.730 1.133 0.884 0.000 0.000 0.000 3/26880 760.0 0.721 1.118 0.873 0.000 0.000 0.000 3/26880 770.0 0.711 1.104 0.862 0.000 0.000 0.000 3/26880 780.0 0.702 1.090 0.852 0.000 0.000 0.000 3/26880 790.0 0.693 1.076 0.841 0.000 0.000 0.000 3/26880 800.0 0.685 1.063 0.831 0.000 0.000 0.000 3/26880 810.0 0.676 1.050 0.821 0.000 0.000 0.000 3/26880 820.0 0.668 1.037 0.811 0.000 0.000 0.000 3/26880 830.0 0.660 1.025 0.802 0.000 0.000 0.000 3/26880 840.0 0.652 1.013 0.793 0.000 0.000 0.000 3/26880 850.0 0.645 1.001 0.784 0.000 0.000 0.000 3/26880 860.0 0.637 0.990 0.775 0.000 0.000 0.000 3/26880 870.0 0.630 0.978 0.766 0.000 0.000 0.000 3/26880 880.0 0.623 0.967 0.758 0.000 0.000 0.000 3/26880 890.0 0.616 0.957 0.750 0.000 0.000 0.000 3/26880 900.0 0.609 0.946 0.742 0.000 0.000 0.000 3/26880 910.0 0.603 0.936 0.734 0.000 0.000 0.000 3/26880 920.0 0.596 0.926 0.726 0.000 0.000 0.000 3/26880 930.0 0.590 0.916 0.718 0.000 0.000 0.000 3/26880 940.0 0.583 0.906 0.711 0.000 0.000 0.000 3/26880 950.0 0.577 0.897 0.704 0.000 0.000 0.000 3/26880 960.0 0.571 0.887 0.696 0.000 0.000 0.000 3/26880 970.0 0.565 0.878 0.689 0.000 0.000 0.000 3/26880 980.0 0.560 0.869 0.683 0.000 0.000 0.000 3/26880 990.0 0.554 0.861 0.676 0.000 0.000 0.000 3/26880 1000.0 0.549 0.852 0.669 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:51:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|