----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:12:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.038284009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.845722969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.379318219999998 Atomic positions (fractional): *1 Cs 0.50000000000000 0.27830999332485 0.66262562897800 132.905 *2 Cs 0.50000000000000 0.50000000000000 0.17575530050731 132.905 3 Cs 0.00000000000000 0.77830999332485 0.33737437102200 132.905 4 Cs 0.00000000000000 0.00000000000000 0.82424469949269 132.905 5 Cs 0.00000000000000 0.22169000667515 0.33737437102200 132.905 6 Cs 0.50000000000000 0.72169000667515 0.66262562897800 132.905 *7 Mg 0.50000000000000 0.14040343165022 0.07343116439606 24.305 *8 Mg 0.50000000000000 0.00000000000000 0.37032347861192 24.305 9 Mg 0.00000000000000 0.64040343165022 0.92656883560394 24.305 10 Mg 0.50000000000000 0.85959656834978 0.07343116439606 24.305 11 Mg 0.00000000000000 0.50000000000000 0.62967652138808 24.305 12 Mg 0.00000000000000 0.35959656834978 0.92656883560394 24.305 *13 H 0.79431676200667 0.50000000000000 0.83123416554688 1.008 14 H 0.70568323799333 0.00000000000000 0.16876583445312 1.008 *15 H 0.74020912835737 0.00000000000000 0.51044603037714 1.008 16 H 0.24020912835737 0.50000000000000 0.48955396962286 1.008 17 H 0.75979087164263 0.50000000000000 0.48955396962286 1.008 18 H 0.25979087164263 0.00000000000000 0.51044603037714 1.008 *19 H 0.50000000000000 0.00000000000000 0.90197397246370 1.008 *20 H 0.00000000000000 0.70015521334976 0.70267245663167 1.008 21 H 0.00000000000000 0.50000000000000 0.09802602753630 1.008 22 H 0.50000000000000 0.20015521334976 0.29732754336833 1.008 23 H 0.00000000000000 0.29984478665024 0.70267245663167 1.008 24 H 0.29431676200667 0.00000000000000 0.16876583445312 1.008 *25 H 0.75000000000000 0.25000000000000 0.00000000000000 1.008 26 H 0.50000000000000 0.79984478665024 0.29732754336833 1.008 27 H 0.20568323799333 0.50000000000000 0.83123416554688 1.008 28 H 0.25000000000000 0.25000000000000 0.00000000000000 1.008 29 H 0.75000000000000 0.75000000000000 0.00000000000000 1.008 30 H 0.25000000000000 0.75000000000000 0.00000000000000 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.038284009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.845722969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.379318219999998 Atomic positions (fractional): *1 Cs 0.50000000000000 0.27830999332485 0.66262562897800 132.905 > 1 *2 Cs 0.50000000000000 0.50000000000000 0.17575530050731 132.905 > 2 3 Cs 0.00000000000000 0.77830999332485 0.33737437102200 132.905 > 3 4 Cs 0.00000000000000 0.00000000000000 0.82424469949269 132.905 > 4 5 Cs 0.00000000000000 0.22169000667515 0.33737437102200 132.905 > 5 6 Cs 0.50000000000000 0.72169000667515 0.66262562897800 132.905 > 6 *7 Mg 0.50000000000000 0.14040343165022 0.07343116439606 24.305 > 7 *8 Mg 0.50000000000000 0.00000000000000 0.37032347861192 24.305 > 8 9 Mg 0.00000000000000 0.64040343165022 0.92656883560394 24.305 > 9 10 Mg 0.50000000000000 0.85959656834978 0.07343116439606 24.305 > 10 11 Mg 0.00000000000000 0.50000000000000 0.62967652138808 24.305 > 11 12 Mg 0.00000000000000 0.35959656834978 0.92656883560394 24.305 > 12 *13 H 0.79431676200667 0.50000000000000 0.83123416554688 1.008 > 13 14 H 0.70568323799333 0.00000000000000 0.16876583445312 1.008 > 14 *15 H 0.74020912835737 0.00000000000000 0.51044603037714 1.008 > 15 16 H 0.24020912835737 0.50000000000000 0.48955396962286 1.008 > 16 17 H 0.75979087164263 0.50000000000000 0.48955396962286 1.008 > 17 18 H 0.25979087164263 0.00000000000000 0.51044603037714 1.008 > 18 *19 H 0.50000000000000 0.00000000000000 0.90197397246370 1.008 > 19 *20 H 0.00000000000000 0.70015521334976 0.70267245663167 1.008 > 20 21 H 0.00000000000000 0.50000000000000 0.09802602753630 1.008 > 21 22 H 0.50000000000000 0.20015521334976 0.29732754336833 1.008 > 22 23 H 0.00000000000000 0.29984478665024 0.70267245663167 1.008 > 23 24 H 0.29431676200667 0.00000000000000 0.16876583445312 1.008 > 24 *25 H 0.75000000000000 0.25000000000000 0.00000000000000 1.008 > 25 26 H 0.50000000000000 0.79984478665024 0.29732754336833 1.008 > 26 27 H 0.20568323799333 0.50000000000000 0.83123416554688 1.008 > 27 28 H 0.25000000000000 0.25000000000000 0.00000000000000 1.008 > 28 29 H 0.75000000000000 0.75000000000000 0.00000000000000 1.008 > 29 30 H 0.25000000000000 0.75000000000000 0.00000000000000 1.008 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.076568019999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.845722969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.758636439999997 Atomic positions (fractional): *1 Cs 0.25000000000000 0.27830999332485 0.33131281448900 132.905 > 1 2 Cs 0.75000000000000 0.27830999332485 0.33131281448900 132.905 > 1 3 Cs 0.25000000000000 0.27830999332485 0.83131281448900 132.905 > 1 4 Cs 0.75000000000000 0.27830999332485 0.83131281448900 132.905 > 1 *5 Cs 0.25000000000000 0.50000000000000 0.08787765025366 132.905 > 2 6 Cs 0.75000000000000 0.50000000000000 0.08787765025366 132.905 > 2 7 Cs 0.25000000000000 0.50000000000000 0.58787765025366 132.905 > 2 8 Cs 0.75000000000000 0.50000000000000 0.58787765025366 132.905 > 2 9 Cs 0.00000000000000 0.77830999332485 0.16868718551100 132.905 > 3 10 Cs 0.50000000000000 0.77830999332485 0.16868718551100 132.905 > 3 11 Cs 0.00000000000000 0.77830999332485 0.66868718551100 132.905 > 3 12 Cs 0.50000000000000 0.77830999332485 0.66868718551100 132.905 > 3 13 Cs 0.00000000000000 0.00000000000000 0.41212234974634 132.905 > 4 14 Cs 0.50000000000000 0.00000000000000 0.41212234974634 132.905 > 4 15 Cs 0.00000000000000 0.00000000000000 0.91212234974634 132.905 > 4 16 Cs 0.50000000000000 0.00000000000000 0.91212234974634 132.905 > 4 17 Cs 0.00000000000000 0.22169000667515 0.16868718551100 132.905 > 5 18 Cs 0.50000000000000 0.22169000667515 0.16868718551100 132.905 > 5 19 Cs 0.00000000000000 0.22169000667515 0.66868718551100 132.905 > 5 20 Cs 0.50000000000000 0.22169000667515 0.66868718551100 132.905 > 5 21 Cs 0.25000000000000 0.72169000667515 0.33131281448900 132.905 > 6 22 Cs 0.75000000000000 0.72169000667515 0.33131281448900 132.905 > 6 23 Cs 0.25000000000000 0.72169000667515 0.83131281448900 132.905 > 6 24 Cs 0.75000000000000 0.72169000667515 0.83131281448900 132.905 > 6 *25 Mg 0.25000000000000 0.14040343165022 0.03671558219803 24.305 > 7 26 Mg 0.75000000000000 0.14040343165022 0.03671558219803 24.305 > 7 27 Mg 0.25000000000000 0.14040343165022 0.53671558219803 24.305 > 7 28 Mg 0.75000000000000 0.14040343165022 0.53671558219803 24.305 > 7 *29 Mg 0.25000000000000 0.00000000000000 0.18516173930596 24.305 > 8 30 Mg 0.75000000000000 0.00000000000000 0.18516173930596 24.305 > 8 31 Mg 0.25000000000000 0.00000000000000 0.68516173930596 24.305 > 8 32 Mg 0.75000000000000 0.00000000000000 0.68516173930596 24.305 > 8 33 Mg 0.00000000000000 0.64040343165022 0.46328441780197 24.305 > 9 34 Mg 0.50000000000000 0.64040343165022 0.46328441780197 24.305 > 9 35 Mg 0.00000000000000 0.64040343165022 0.96328441780197 24.305 > 9 36 Mg 0.50000000000000 0.64040343165022 0.96328441780197 24.305 > 9 37 Mg 0.25000000000000 0.85959656834978 0.03671558219803 24.305 > 10 38 Mg 0.75000000000000 0.85959656834978 0.03671558219803 24.305 > 10 39 Mg 0.25000000000000 0.85959656834978 0.53671558219803 24.305 > 10 40 Mg 0.75000000000000 0.85959656834978 0.53671558219803 24.305 > 10 41 Mg 0.00000000000000 0.50000000000000 0.31483826069404 24.305 > 11 42 Mg 0.50000000000000 0.50000000000000 0.31483826069404 24.305 > 11 43 Mg 0.00000000000000 0.50000000000000 0.81483826069404 24.305 > 11 44 Mg 0.50000000000000 0.50000000000000 0.81483826069404 24.305 > 11 45 Mg 0.00000000000000 0.35959656834978 0.46328441780197 24.305 > 12 46 Mg 0.50000000000000 0.35959656834978 0.46328441780197 24.305 > 12 47 Mg 0.00000000000000 0.35959656834978 0.96328441780197 24.305 > 12 48 Mg 0.50000000000000 0.35959656834978 0.96328441780197 24.305 > 12 *49 H 0.39715838100334 0.50000000000000 0.41561708277344 1.008 > 13 50 H 0.89715838100334 0.50000000000000 0.41561708277344 1.008 > 13 51 H 0.39715838100334 0.50000000000000 0.91561708277344 1.008 > 13 52 H 0.89715838100334 0.50000000000000 0.91561708277344 1.008 > 13 53 H 0.35284161899666 0.00000000000000 0.08438291722656 1.008 > 14 54 H 0.85284161899666 0.00000000000000 0.08438291722656 1.008 > 14 55 H 0.35284161899666 0.00000000000000 0.58438291722656 1.008 > 14 56 H 0.85284161899666 0.00000000000000 0.58438291722656 1.008 > 14 *57 H 0.37010456417868 0.00000000000000 0.25522301518857 1.008 > 15 58 H 0.87010456417868 0.00000000000000 0.25522301518857 1.008 > 15 59 H 0.37010456417868 0.00000000000000 0.75522301518857 1.008 > 15 60 H 0.87010456417868 0.00000000000000 0.75522301518857 1.008 > 15 61 H 0.12010456417868 0.50000000000000 0.24477698481143 1.008 > 16 62 H 0.62010456417868 0.50000000000000 0.24477698481143 1.008 > 16 63 H 0.12010456417868 0.50000000000000 0.74477698481143 1.008 > 16 64 H 0.62010456417868 0.50000000000000 0.74477698481143 1.008 > 16 65 H 0.37989543582132 0.50000000000000 0.24477698481143 1.008 > 17 66 H 0.87989543582132 0.50000000000000 0.24477698481143 1.008 > 17 67 H 0.37989543582132 0.50000000000000 0.74477698481143 1.008 > 17 68 H 0.87989543582132 0.50000000000000 0.74477698481143 1.008 > 17 69 H 0.12989543582132 0.00000000000000 0.25522301518857 1.008 > 18 70 H 0.62989543582132 0.00000000000000 0.25522301518857 1.008 > 18 71 H 0.12989543582132 0.00000000000000 0.75522301518857 1.008 > 18 72 H 0.62989543582132 0.00000000000000 0.75522301518857 1.008 > 18 *73 H 0.25000000000000 0.00000000000000 0.45098698623185 1.008 > 19 74 H 0.75000000000000 0.00000000000000 0.45098698623185 1.008 > 19 75 H 0.25000000000000 0.00000000000000 0.95098698623185 1.008 > 19 76 H 0.75000000000000 0.00000000000000 0.95098698623185 1.008 > 19 *77 H 0.00000000000000 0.70015521334976 0.35133622831583 1.008 > 20 78 H 0.50000000000000 0.70015521334976 0.35133622831583 1.008 > 20 79 H 0.00000000000000 0.70015521334976 0.85133622831583 1.008 > 20 80 H 0.50000000000000 0.70015521334976 0.85133622831583 1.008 > 20 81 H 0.00000000000000 0.50000000000000 0.04901301376815 1.008 > 21 82 H 0.50000000000000 0.50000000000000 0.04901301376815 1.008 > 21 83 H 0.00000000000000 0.50000000000000 0.54901301376815 1.008 > 21 84 H 0.50000000000000 0.50000000000000 0.54901301376815 1.008 > 21 85 H 0.25000000000000 0.20015521334976 0.14866377168417 1.008 > 22 86 H 0.75000000000000 0.20015521334976 0.14866377168417 1.008 > 22 87 H 0.25000000000000 0.20015521334976 0.64866377168417 1.008 > 22 88 H 0.75000000000000 0.20015521334976 0.64866377168417 1.008 > 22 89 H 0.00000000000000 0.29984478665024 0.35133622831583 1.008 > 23 90 H 0.50000000000000 0.29984478665024 0.35133622831583 1.008 > 23 91 H 0.00000000000000 0.29984478665024 0.85133622831583 1.008 > 23 92 H 0.50000000000000 0.29984478665024 0.85133622831583 1.008 > 23 93 H 0.14715838100334 0.00000000000000 0.08438291722656 1.008 > 24 94 H 0.64715838100334 0.00000000000000 0.08438291722656 1.008 > 24 95 H 0.14715838100334 0.00000000000000 0.58438291722656 1.008 > 24 96 H 0.64715838100334 0.00000000000000 0.58438291722656 1.008 > 24 *97 H 0.37500000000000 0.25000000000000 0.00000000000000 1.008 > 25 98 H 0.87500000000000 0.25000000000000 0.00000000000000 1.008 > 25 99 H 0.37500000000000 0.25000000000000 0.50000000000000 1.008 > 25 100 H 0.87500000000000 0.25000000000000 0.50000000000000 1.008 > 25 101 H 0.25000000000000 0.79984478665024 0.14866377168417 1.008 > 26 102 H 0.75000000000000 0.79984478665024 0.14866377168417 1.008 > 26 103 H 0.25000000000000 0.79984478665024 0.64866377168417 1.008 > 26 104 H 0.75000000000000 0.79984478665024 0.64866377168417 1.008 > 26 105 H 0.10284161899666 0.50000000000000 0.41561708277344 1.008 > 27 106 H 0.60284161899666 0.50000000000000 0.41561708277344 1.008 > 27 107 H 0.10284161899666 0.50000000000000 0.91561708277344 1.008 > 27 108 H 0.60284161899666 0.50000000000000 0.91561708277344 1.008 > 27 109 H 0.12500000000000 0.25000000000000 0.00000000000000 1.008 > 28 110 H 0.62500000000000 0.25000000000000 0.00000000000000 1.008 > 28 111 H 0.12500000000000 0.25000000000000 0.50000000000000 1.008 > 28 112 H 0.62500000000000 0.25000000000000 0.50000000000000 1.008 > 28 113 H 0.37500000000000 0.75000000000000 0.00000000000000 1.008 > 29 114 H 0.87500000000000 0.75000000000000 0.00000000000000 1.008 > 29 115 H 0.37500000000000 0.75000000000000 0.50000000000000 1.008 > 29 116 H 0.87500000000000 0.75000000000000 0.50000000000000 1.008 > 29 117 H 0.12500000000000 0.75000000000000 0.00000000000000 1.008 > 30 118 H 0.62500000000000 0.75000000000000 0.00000000000000 1.008 > 30 119 H 0.12500000000000 0.75000000000000 0.50000000000000 1.008 > 30 120 H 0.62500000000000 0.75000000000000 0.50000000000000 1.008 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6810832 0.0000000 0.0000000 0.0000000 3.7662641 0.0000000 0.0000000 0.0000000 3.7013932 -------------------------- Born effective charges -------------------------- 1 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 0.0604870 0.0000000 0.0771005 1.0993624 2 Cs 1.2101412 0.0000000 0.0000000 0.0000000 1.1367693 0.0000000 0.0000000 0.0000000 1.2555412 3 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 -0.0604870 0.0000000 -0.0771005 1.0993624 4 Cs 1.2101412 0.0000000 0.0000000 0.0000000 1.1367693 0.0000000 0.0000000 0.0000000 1.2555412 5 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 0.0604870 0.0000000 0.0771005 1.0993624 6 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 -0.0604870 0.0000000 -0.0771005 1.0993624 7 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 -0.1468984 0.0000000 -0.1489435 1.5876677 8 Mg 1.4208150 0.0000000 0.0000000 0.0000000 1.5613063 0.0000000 0.0000000 0.0000000 1.6686679 9 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 0.1468984 0.0000000 0.1489435 1.5876677 10 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 0.1468984 0.0000000 0.1489435 1.5876677 11 Mg 1.4208150 0.0000000 0.0000000 0.0000000 1.5613063 0.0000000 0.0000000 0.0000000 1.6686679 12 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 -0.1468984 0.0000000 -0.1489435 1.5876677 13 H -0.8858073 0.0000000 -0.0118162 0.0000000 -0.9233284 0.0000000 -0.0250532 0.0000000 -0.8833027 14 H -0.8858073 0.0000000 -0.0118162 0.0000000 -0.9233284 0.0000000 -0.0250532 0.0000000 -0.8833027 15 H -0.9451428 0.0000000 -0.0766689 0.0000000 -0.9425062 0.0000000 -0.0828502 0.0000000 -0.9736337 16 H -0.9451428 0.0000000 0.0766689 0.0000000 -0.9425062 0.0000000 0.0828502 0.0000000 -0.9736337 17 H -0.9451428 0.0000000 -0.0766689 0.0000000 -0.9425062 0.0000000 -0.0828502 0.0000000 -0.9736337 18 H -0.9451428 0.0000000 0.0766689 0.0000000 -0.9425062 0.0000000 0.0828502 0.0000000 -0.9736337 19 H -0.7883733 0.0000000 0.0000000 0.0000000 -1.0919564 0.0000000 0.0000000 0.0000000 -0.9169756 20 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 -0.0729116 0.0000000 -0.0191428 -0.9977725 21 H -0.7883733 0.0000000 0.0000000 0.0000000 -1.0919564 0.0000000 0.0000000 0.0000000 -0.9169756 22 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 0.0729116 0.0000000 0.0191428 -0.9977725 23 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 0.0729116 0.0000000 0.0191428 -0.9977725 24 H -0.8858073 0.0000000 0.0118162 0.0000000 -0.9233284 0.0000000 0.0250532 0.0000000 -0.8833027 25 H -1.1184832 -0.2206667 0.1147151 -0.2359332 -0.9329538 0.0912601 0.1373471 0.0973198 -0.8359380 26 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 -0.0729116 0.0000000 -0.0191428 -0.9977725 27 H -0.8858073 0.0000000 0.0118162 0.0000000 -0.9233284 0.0000000 0.0250532 0.0000000 -0.8833027 28 H -1.1184832 0.2206667 -0.1147151 0.2359332 -0.9329538 0.0912601 -0.1373471 0.0973198 -0.8359380 29 H -1.1184832 0.2206667 0.1147151 0.2359332 -0.9329538 -0.0912601 0.1373471 -0.0973198 -0.8359380 30 H -1.1184832 -0.2206667 -0.1147151 -0.2359332 -0.9329538 -0.0912601 -0.1373471 -0.0973198 -0.8359380 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2272 Number of blocks in projector: 2272 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: 462 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2272, 2229), data: False |-- (284, 282), data: True |-- (366, 357), data: True |-- (366, 357), data: True |-- (366, 357), data: True |-- (428, 420), data: True |-- (462, 456), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.639 Solver_block: 200 / 480 - Time: 0.562 Solver_block: 300 / 480 - Time: 0.556 Solver_block: 400 / 480 - Time: 0.565 Solver_block: 480 / 480 - Time: 0.476 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.887 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2272 Number of blocks in projector: 2272 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: 462 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 366 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2272, 2229), data: False |-- (284, 282), data: True |-- (366, 357), data: True |-- (366, 357), data: True |-- (366, 357), data: True |-- (428, 420), data: True |-- (462, 456), 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 19:13:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:13:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.038284009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.845722969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.379318219999998 Atomic positions (fractional): 1 Cs 0.50000000000000 0.27830999332485 0.66262562897800 132.905 2 Cs 0.50000000000000 0.50000000000000 0.17575530050731 132.905 3 Cs 0.00000000000000 0.77830999332485 0.33737437102200 132.905 4 Cs 0.00000000000000 0.00000000000000 0.82424469949269 132.905 5 Cs 0.00000000000000 0.22169000667515 0.33737437102200 132.905 6 Cs 0.50000000000000 0.72169000667515 0.66262562897800 132.905 7 Mg 0.50000000000000 0.14040343165022 0.07343116439606 24.305 8 Mg 0.50000000000000 0.00000000000000 0.37032347861192 24.305 9 Mg 0.00000000000000 0.64040343165022 0.92656883560394 24.305 10 Mg 0.50000000000000 0.85959656834978 0.07343116439606 24.305 11 Mg 0.00000000000000 0.50000000000000 0.62967652138808 24.305 12 Mg 0.00000000000000 0.35959656834978 0.92656883560394 24.305 13 H 0.79431676200667 0.50000000000000 0.83123416554688 1.008 14 H 0.70568323799333 0.00000000000000 0.16876583445312 1.008 15 H 0.74020912835737 0.00000000000000 0.51044603037714 1.008 16 H 0.24020912835737 0.50000000000000 0.48955396962286 1.008 17 H 0.75979087164263 0.50000000000000 0.48955396962286 1.008 18 H 0.25979087164263 0.00000000000000 0.51044603037714 1.008 19 H 0.50000000000000 0.00000000000000 0.90197397246370 1.008 20 H 0.00000000000000 0.70015521334976 0.70267245663167 1.008 21 H 0.00000000000000 0.50000000000000 0.09802602753630 1.008 22 H 0.50000000000000 0.20015521334976 0.29732754336833 1.008 23 H 0.00000000000000 0.29984478665024 0.70267245663167 1.008 24 H 0.29431676200667 0.00000000000000 0.16876583445312 1.008 25 H 0.75000000000000 0.25000000000000 0.00000000000000 1.008 26 H 0.50000000000000 0.79984478665024 0.29732754336833 1.008 27 H 0.20568323799333 0.50000000000000 0.83123416554688 1.008 28 H 0.25000000000000 0.25000000000000 0.00000000000000 1.008 29 H 0.75000000000000 0.75000000000000 0.00000000000000 1.008 30 H 0.25000000000000 0.75000000000000 0.00000000000000 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.076568019999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.845722969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.758636439999997 Atomic positions (fractional): 1 Cs 0.25000000000000 0.27830999332485 0.33131281448900 132.905 > 1 2 Cs 0.75000000000000 0.27830999332485 0.33131281448900 132.905 > 1 3 Cs 0.25000000000000 0.27830999332485 0.83131281448900 132.905 > 1 4 Cs 0.75000000000000 0.27830999332485 0.83131281448900 132.905 > 1 5 Cs 0.25000000000000 0.50000000000000 0.08787765025366 132.905 > 5 6 Cs 0.75000000000000 0.50000000000000 0.08787765025366 132.905 > 5 7 Cs 0.25000000000000 0.50000000000000 0.58787765025366 132.905 > 5 8 Cs 0.75000000000000 0.50000000000000 0.58787765025366 132.905 > 5 9 Cs 0.00000000000000 0.77830999332485 0.16868718551100 132.905 > 9 10 Cs 0.50000000000000 0.77830999332485 0.16868718551100 132.905 > 9 11 Cs 0.00000000000000 0.77830999332485 0.66868718551100 132.905 > 9 12 Cs 0.50000000000000 0.77830999332485 0.66868718551100 132.905 > 9 13 Cs 0.00000000000000 0.00000000000000 0.41212234974634 132.905 > 13 14 Cs 0.50000000000000 0.00000000000000 0.41212234974634 132.905 > 13 15 Cs 0.00000000000000 0.00000000000000 0.91212234974634 132.905 > 13 16 Cs 0.50000000000000 0.00000000000000 0.91212234974634 132.905 > 13 17 Cs 0.00000000000000 0.22169000667515 0.16868718551100 132.905 > 17 18 Cs 0.50000000000000 0.22169000667515 0.16868718551100 132.905 > 17 19 Cs 0.00000000000000 0.22169000667515 0.66868718551100 132.905 > 17 20 Cs 0.50000000000000 0.22169000667515 0.66868718551100 132.905 > 17 21 Cs 0.25000000000000 0.72169000667515 0.33131281448900 132.905 > 21 22 Cs 0.75000000000000 0.72169000667515 0.33131281448900 132.905 > 21 23 Cs 0.25000000000000 0.72169000667515 0.83131281448900 132.905 > 21 24 Cs 0.75000000000000 0.72169000667515 0.83131281448900 132.905 > 21 25 Mg 0.25000000000000 0.14040343165022 0.03671558219803 24.305 > 25 26 Mg 0.75000000000000 0.14040343165022 0.03671558219803 24.305 > 25 27 Mg 0.25000000000000 0.14040343165022 0.53671558219803 24.305 > 25 28 Mg 0.75000000000000 0.14040343165022 0.53671558219803 24.305 > 25 29 Mg 0.25000000000000 0.00000000000000 0.18516173930596 24.305 > 29 30 Mg 0.75000000000000 0.00000000000000 0.18516173930596 24.305 > 29 31 Mg 0.25000000000000 0.00000000000000 0.68516173930596 24.305 > 29 32 Mg 0.75000000000000 0.00000000000000 0.68516173930596 24.305 > 29 33 Mg 0.00000000000000 0.64040343165022 0.46328441780197 24.305 > 33 34 Mg 0.50000000000000 0.64040343165022 0.46328441780197 24.305 > 33 35 Mg 0.00000000000000 0.64040343165022 0.96328441780197 24.305 > 33 36 Mg 0.50000000000000 0.64040343165022 0.96328441780197 24.305 > 33 37 Mg 0.25000000000000 0.85959656834978 0.03671558219803 24.305 > 37 38 Mg 0.75000000000000 0.85959656834978 0.03671558219803 24.305 > 37 39 Mg 0.25000000000000 0.85959656834978 0.53671558219803 24.305 > 37 40 Mg 0.75000000000000 0.85959656834978 0.53671558219803 24.305 > 37 41 Mg 0.00000000000000 0.50000000000000 0.31483826069404 24.305 > 41 42 Mg 0.50000000000000 0.50000000000000 0.31483826069404 24.305 > 41 43 Mg 0.00000000000000 0.50000000000000 0.81483826069404 24.305 > 41 44 Mg 0.50000000000000 0.50000000000000 0.81483826069404 24.305 > 41 45 Mg 0.00000000000000 0.35959656834978 0.46328441780197 24.305 > 45 46 Mg 0.50000000000000 0.35959656834978 0.46328441780197 24.305 > 45 47 Mg 0.00000000000000 0.35959656834978 0.96328441780197 24.305 > 45 48 Mg 0.50000000000000 0.35959656834978 0.96328441780197 24.305 > 45 49 H 0.39715838100334 0.50000000000000 0.41561708277344 1.008 > 49 50 H 0.89715838100334 0.50000000000000 0.41561708277344 1.008 > 49 51 H 0.39715838100334 0.50000000000000 0.91561708277344 1.008 > 49 52 H 0.89715838100334 0.50000000000000 0.91561708277344 1.008 > 49 53 H 0.35284161899666 0.00000000000000 0.08438291722656 1.008 > 53 54 H 0.85284161899666 0.00000000000000 0.08438291722656 1.008 > 53 55 H 0.35284161899666 0.00000000000000 0.58438291722656 1.008 > 53 56 H 0.85284161899666 0.00000000000000 0.58438291722656 1.008 > 53 57 H 0.37010456417868 0.00000000000000 0.25522301518857 1.008 > 57 58 H 0.87010456417868 0.00000000000000 0.25522301518857 1.008 > 57 59 H 0.37010456417868 0.00000000000000 0.75522301518857 1.008 > 57 60 H 0.87010456417868 0.00000000000000 0.75522301518857 1.008 > 57 61 H 0.12010456417868 0.50000000000000 0.24477698481143 1.008 > 61 62 H 0.62010456417868 0.50000000000000 0.24477698481143 1.008 > 61 63 H 0.12010456417868 0.50000000000000 0.74477698481143 1.008 > 61 64 H 0.62010456417868 0.50000000000000 0.74477698481143 1.008 > 61 65 H 0.37989543582132 0.50000000000000 0.24477698481143 1.008 > 65 66 H 0.87989543582132 0.50000000000000 0.24477698481143 1.008 > 65 67 H 0.37989543582132 0.50000000000000 0.74477698481143 1.008 > 65 68 H 0.87989543582132 0.50000000000000 0.74477698481143 1.008 > 65 69 H 0.12989543582132 0.00000000000000 0.25522301518857 1.008 > 69 70 H 0.62989543582132 0.00000000000000 0.25522301518857 1.008 > 69 71 H 0.12989543582132 0.00000000000000 0.75522301518857 1.008 > 69 72 H 0.62989543582132 0.00000000000000 0.75522301518857 1.008 > 69 73 H 0.25000000000000 0.00000000000000 0.45098698623185 1.008 > 73 74 H 0.75000000000000 0.00000000000000 0.45098698623185 1.008 > 73 75 H 0.25000000000000 0.00000000000000 0.95098698623185 1.008 > 73 76 H 0.75000000000000 0.00000000000000 0.95098698623185 1.008 > 73 77 H 0.00000000000000 0.70015521334976 0.35133622831583 1.008 > 77 78 H 0.50000000000000 0.70015521334976 0.35133622831583 1.008 > 77 79 H 0.00000000000000 0.70015521334976 0.85133622831583 1.008 > 77 80 H 0.50000000000000 0.70015521334976 0.85133622831583 1.008 > 77 81 H 0.00000000000000 0.50000000000000 0.04901301376815 1.008 > 81 82 H 0.50000000000000 0.50000000000000 0.04901301376815 1.008 > 81 83 H 0.00000000000000 0.50000000000000 0.54901301376815 1.008 > 81 84 H 0.50000000000000 0.50000000000000 0.54901301376815 1.008 > 81 85 H 0.25000000000000 0.20015521334976 0.14866377168417 1.008 > 85 86 H 0.75000000000000 0.20015521334976 0.14866377168417 1.008 > 85 87 H 0.25000000000000 0.20015521334976 0.64866377168417 1.008 > 85 88 H 0.75000000000000 0.20015521334976 0.64866377168417 1.008 > 85 89 H 0.00000000000000 0.29984478665024 0.35133622831583 1.008 > 89 90 H 0.50000000000000 0.29984478665024 0.35133622831583 1.008 > 89 91 H 0.00000000000000 0.29984478665024 0.85133622831583 1.008 > 89 92 H 0.50000000000000 0.29984478665024 0.85133622831583 1.008 > 89 93 H 0.14715838100334 0.00000000000000 0.08438291722656 1.008 > 93 94 H 0.64715838100334 0.00000000000000 0.08438291722656 1.008 > 93 95 H 0.14715838100334 0.00000000000000 0.58438291722656 1.008 > 93 96 H 0.64715838100334 0.00000000000000 0.58438291722656 1.008 > 93 97 H 0.37500000000000 0.25000000000000 0.00000000000000 1.008 > 97 98 H 0.87500000000000 0.25000000000000 0.00000000000000 1.008 > 97 99 H 0.37500000000000 0.25000000000000 0.50000000000000 1.008 > 97 100 H 0.87500000000000 0.25000000000000 0.50000000000000 1.008 > 97 101 H 0.25000000000000 0.79984478665024 0.14866377168417 1.008 > 101 102 H 0.75000000000000 0.79984478665024 0.14866377168417 1.008 > 101 103 H 0.25000000000000 0.79984478665024 0.64866377168417 1.008 > 101 104 H 0.75000000000000 0.79984478665024 0.64866377168417 1.008 > 101 105 H 0.10284161899666 0.50000000000000 0.41561708277344 1.008 > 105 106 H 0.60284161899666 0.50000000000000 0.41561708277344 1.008 > 105 107 H 0.10284161899666 0.50000000000000 0.91561708277344 1.008 > 105 108 H 0.60284161899666 0.50000000000000 0.91561708277344 1.008 > 105 109 H 0.12500000000000 0.25000000000000 0.00000000000000 1.008 > 109 110 H 0.62500000000000 0.25000000000000 0.00000000000000 1.008 > 109 111 H 0.12500000000000 0.25000000000000 0.50000000000000 1.008 > 109 112 H 0.62500000000000 0.25000000000000 0.50000000000000 1.008 > 109 113 H 0.37500000000000 0.75000000000000 0.00000000000000 1.008 > 113 114 H 0.87500000000000 0.75000000000000 0.00000000000000 1.008 > 113 115 H 0.37500000000000 0.75000000000000 0.50000000000000 1.008 > 113 116 H 0.87500000000000 0.75000000000000 0.50000000000000 1.008 > 113 117 H 0.12500000000000 0.75000000000000 0.00000000000000 1.008 > 117 118 H 0.62500000000000 0.75000000000000 0.00000000000000 1.008 > 117 119 H 0.12500000000000 0.75000000000000 0.50000000000000 1.008 > 117 120 H 0.62500000000000 0.75000000000000 0.50000000000000 1.008 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6810832 0.0000000 0.0000000 0.0000000 3.7662641 0.0000000 0.0000000 0.0000000 3.7013932 -------------------------- Born effective charges -------------------------- 1 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 0.0604870 0.0000000 0.0771005 1.0993624 2 Cs 1.2101412 0.0000000 0.0000000 0.0000000 1.1367693 0.0000000 0.0000000 0.0000000 1.2555412 3 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 -0.0604870 0.0000000 -0.0771005 1.0993624 4 Cs 1.2101412 0.0000000 0.0000000 0.0000000 1.1367693 0.0000000 0.0000000 0.0000000 1.2555412 5 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 0.0604870 0.0000000 0.0771005 1.0993624 6 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 -0.0604870 0.0000000 -0.0771005 1.0993624 7 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 -0.1468984 0.0000000 -0.1489435 1.5876677 8 Mg 1.4208150 0.0000000 0.0000000 0.0000000 1.5613063 0.0000000 0.0000000 0.0000000 1.6686679 9 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 0.1468984 0.0000000 0.1489435 1.5876677 10 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 0.1468984 0.0000000 0.1489435 1.5876677 11 Mg 1.4208150 0.0000000 0.0000000 0.0000000 1.5613063 0.0000000 0.0000000 0.0000000 1.6686679 12 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 -0.1468984 0.0000000 -0.1489435 1.5876677 13 H -0.8858073 0.0000000 -0.0118162 0.0000000 -0.9233284 0.0000000 -0.0250532 0.0000000 -0.8833027 14 H -0.8858073 0.0000000 -0.0118162 0.0000000 -0.9233284 0.0000000 -0.0250532 0.0000000 -0.8833027 15 H -0.9451428 0.0000000 -0.0766689 0.0000000 -0.9425062 0.0000000 -0.0828502 0.0000000 -0.9736337 16 H -0.9451428 0.0000000 0.0766689 0.0000000 -0.9425062 0.0000000 0.0828502 0.0000000 -0.9736337 17 H -0.9451428 0.0000000 -0.0766689 0.0000000 -0.9425062 0.0000000 -0.0828502 0.0000000 -0.9736337 18 H -0.9451428 0.0000000 0.0766689 0.0000000 -0.9425062 0.0000000 0.0828502 0.0000000 -0.9736337 19 H -0.7883733 0.0000000 0.0000000 0.0000000 -1.0919564 0.0000000 0.0000000 0.0000000 -0.9169756 20 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 -0.0729116 0.0000000 -0.0191428 -0.9977725 21 H -0.7883733 0.0000000 0.0000000 0.0000000 -1.0919564 0.0000000 0.0000000 0.0000000 -0.9169756 22 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 0.0729116 0.0000000 0.0191428 -0.9977725 23 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 0.0729116 0.0000000 0.0191428 -0.9977725 24 H -0.8858073 0.0000000 0.0118162 0.0000000 -0.9233284 0.0000000 0.0250532 0.0000000 -0.8833027 25 H -1.1184832 -0.2206667 0.1147151 -0.2359332 -0.9329538 0.0912601 0.1373471 0.0973198 -0.8359380 26 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 -0.0729116 0.0000000 -0.0191428 -0.9977725 27 H -0.8858073 0.0000000 0.0118162 0.0000000 -0.9233284 0.0000000 0.0250532 0.0000000 -0.8833027 28 H -1.1184832 0.2206667 -0.1147151 0.2359332 -0.9329538 0.0912601 -0.1373471 0.0973198 -0.8359380 29 H -1.1184832 0.2206667 0.1147151 0.2359332 -0.9329538 -0.0912601 0.1373471 -0.0973198 -0.8359380 30 H -1.1184832 -0.2206667 -0.1147151 -0.2359332 -0.9329538 -0.0912601 -0.1373471 -0.0973198 -0.8359380 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:13:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:13:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.038284009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.845722969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.379318219999998 Atomic positions (fractional): 1 Cs 0.50000000000000 0.27830999332485 0.66262562897800 132.905 2 Cs 0.50000000000000 0.50000000000000 0.17575530050731 132.905 3 Cs 0.00000000000000 0.77830999332485 0.33737437102200 132.905 4 Cs 0.00000000000000 0.00000000000000 0.82424469949269 132.905 5 Cs 0.00000000000000 0.22169000667515 0.33737437102200 132.905 6 Cs 0.50000000000000 0.72169000667515 0.66262562897800 132.905 7 Mg 0.50000000000000 0.14040343165022 0.07343116439606 24.305 8 Mg 0.50000000000000 0.00000000000000 0.37032347861192 24.305 9 Mg 0.00000000000000 0.64040343165022 0.92656883560394 24.305 10 Mg 0.50000000000000 0.85959656834978 0.07343116439606 24.305 11 Mg 0.00000000000000 0.50000000000000 0.62967652138808 24.305 12 Mg 0.00000000000000 0.35959656834978 0.92656883560394 24.305 13 H 0.79431676200667 0.50000000000000 0.83123416554688 1.008 14 H 0.70568323799333 0.00000000000000 0.16876583445312 1.008 15 H 0.74020912835737 0.00000000000000 0.51044603037714 1.008 16 H 0.24020912835737 0.50000000000000 0.48955396962286 1.008 17 H 0.75979087164263 0.50000000000000 0.48955396962286 1.008 18 H 0.25979087164263 0.00000000000000 0.51044603037714 1.008 19 H 0.50000000000000 0.00000000000000 0.90197397246370 1.008 20 H 0.00000000000000 0.70015521334976 0.70267245663167 1.008 21 H 0.00000000000000 0.50000000000000 0.09802602753630 1.008 22 H 0.50000000000000 0.20015521334976 0.29732754336833 1.008 23 H 0.00000000000000 0.29984478665024 0.70267245663167 1.008 24 H 0.29431676200667 0.00000000000000 0.16876583445312 1.008 25 H 0.75000000000000 0.25000000000000 0.00000000000000 1.008 26 H 0.50000000000000 0.79984478665024 0.29732754336833 1.008 27 H 0.20568323799333 0.50000000000000 0.83123416554688 1.008 28 H 0.25000000000000 0.25000000000000 0.00000000000000 1.008 29 H 0.75000000000000 0.75000000000000 0.00000000000000 1.008 30 H 0.25000000000000 0.75000000000000 0.00000000000000 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.076568019999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.845722969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.758636439999997 Atomic positions (fractional): 1 Cs 0.25000000000000 0.27830999332485 0.33131281448900 132.905 > 1 2 Cs 0.75000000000000 0.27830999332485 0.33131281448900 132.905 > 1 3 Cs 0.25000000000000 0.27830999332485 0.83131281448900 132.905 > 1 4 Cs 0.75000000000000 0.27830999332485 0.83131281448900 132.905 > 1 5 Cs 0.25000000000000 0.50000000000000 0.08787765025366 132.905 > 5 6 Cs 0.75000000000000 0.50000000000000 0.08787765025366 132.905 > 5 7 Cs 0.25000000000000 0.50000000000000 0.58787765025366 132.905 > 5 8 Cs 0.75000000000000 0.50000000000000 0.58787765025366 132.905 > 5 9 Cs 0.00000000000000 0.77830999332485 0.16868718551100 132.905 > 9 10 Cs 0.50000000000000 0.77830999332485 0.16868718551100 132.905 > 9 11 Cs 0.00000000000000 0.77830999332485 0.66868718551100 132.905 > 9 12 Cs 0.50000000000000 0.77830999332485 0.66868718551100 132.905 > 9 13 Cs 0.00000000000000 0.00000000000000 0.41212234974634 132.905 > 13 14 Cs 0.50000000000000 0.00000000000000 0.41212234974634 132.905 > 13 15 Cs 0.00000000000000 0.00000000000000 0.91212234974634 132.905 > 13 16 Cs 0.50000000000000 0.00000000000000 0.91212234974634 132.905 > 13 17 Cs 0.00000000000000 0.22169000667515 0.16868718551100 132.905 > 17 18 Cs 0.50000000000000 0.22169000667515 0.16868718551100 132.905 > 17 19 Cs 0.00000000000000 0.22169000667515 0.66868718551100 132.905 > 17 20 Cs 0.50000000000000 0.22169000667515 0.66868718551100 132.905 > 17 21 Cs 0.25000000000000 0.72169000667515 0.33131281448900 132.905 > 21 22 Cs 0.75000000000000 0.72169000667515 0.33131281448900 132.905 > 21 23 Cs 0.25000000000000 0.72169000667515 0.83131281448900 132.905 > 21 24 Cs 0.75000000000000 0.72169000667515 0.83131281448900 132.905 > 21 25 Mg 0.25000000000000 0.14040343165022 0.03671558219803 24.305 > 25 26 Mg 0.75000000000000 0.14040343165022 0.03671558219803 24.305 > 25 27 Mg 0.25000000000000 0.14040343165022 0.53671558219803 24.305 > 25 28 Mg 0.75000000000000 0.14040343165022 0.53671558219803 24.305 > 25 29 Mg 0.25000000000000 0.00000000000000 0.18516173930596 24.305 > 29 30 Mg 0.75000000000000 0.00000000000000 0.18516173930596 24.305 > 29 31 Mg 0.25000000000000 0.00000000000000 0.68516173930596 24.305 > 29 32 Mg 0.75000000000000 0.00000000000000 0.68516173930596 24.305 > 29 33 Mg 0.00000000000000 0.64040343165022 0.46328441780197 24.305 > 33 34 Mg 0.50000000000000 0.64040343165022 0.46328441780197 24.305 > 33 35 Mg 0.00000000000000 0.64040343165022 0.96328441780197 24.305 > 33 36 Mg 0.50000000000000 0.64040343165022 0.96328441780197 24.305 > 33 37 Mg 0.25000000000000 0.85959656834978 0.03671558219803 24.305 > 37 38 Mg 0.75000000000000 0.85959656834978 0.03671558219803 24.305 > 37 39 Mg 0.25000000000000 0.85959656834978 0.53671558219803 24.305 > 37 40 Mg 0.75000000000000 0.85959656834978 0.53671558219803 24.305 > 37 41 Mg 0.00000000000000 0.50000000000000 0.31483826069404 24.305 > 41 42 Mg 0.50000000000000 0.50000000000000 0.31483826069404 24.305 > 41 43 Mg 0.00000000000000 0.50000000000000 0.81483826069404 24.305 > 41 44 Mg 0.50000000000000 0.50000000000000 0.81483826069404 24.305 > 41 45 Mg 0.00000000000000 0.35959656834978 0.46328441780197 24.305 > 45 46 Mg 0.50000000000000 0.35959656834978 0.46328441780197 24.305 > 45 47 Mg 0.00000000000000 0.35959656834978 0.96328441780197 24.305 > 45 48 Mg 0.50000000000000 0.35959656834978 0.96328441780197 24.305 > 45 49 H 0.39715838100334 0.50000000000000 0.41561708277344 1.008 > 49 50 H 0.89715838100334 0.50000000000000 0.41561708277344 1.008 > 49 51 H 0.39715838100334 0.50000000000000 0.91561708277344 1.008 > 49 52 H 0.89715838100334 0.50000000000000 0.91561708277344 1.008 > 49 53 H 0.35284161899666 0.00000000000000 0.08438291722656 1.008 > 53 54 H 0.85284161899666 0.00000000000000 0.08438291722656 1.008 > 53 55 H 0.35284161899666 0.00000000000000 0.58438291722656 1.008 > 53 56 H 0.85284161899666 0.00000000000000 0.58438291722656 1.008 > 53 57 H 0.37010456417868 0.00000000000000 0.25522301518857 1.008 > 57 58 H 0.87010456417868 0.00000000000000 0.25522301518857 1.008 > 57 59 H 0.37010456417868 0.00000000000000 0.75522301518857 1.008 > 57 60 H 0.87010456417868 0.00000000000000 0.75522301518857 1.008 > 57 61 H 0.12010456417868 0.50000000000000 0.24477698481143 1.008 > 61 62 H 0.62010456417868 0.50000000000000 0.24477698481143 1.008 > 61 63 H 0.12010456417868 0.50000000000000 0.74477698481143 1.008 > 61 64 H 0.62010456417868 0.50000000000000 0.74477698481143 1.008 > 61 65 H 0.37989543582132 0.50000000000000 0.24477698481143 1.008 > 65 66 H 0.87989543582132 0.50000000000000 0.24477698481143 1.008 > 65 67 H 0.37989543582132 0.50000000000000 0.74477698481143 1.008 > 65 68 H 0.87989543582132 0.50000000000000 0.74477698481143 1.008 > 65 69 H 0.12989543582132 0.00000000000000 0.25522301518857 1.008 > 69 70 H 0.62989543582132 0.00000000000000 0.25522301518857 1.008 > 69 71 H 0.12989543582132 0.00000000000000 0.75522301518857 1.008 > 69 72 H 0.62989543582132 0.00000000000000 0.75522301518857 1.008 > 69 73 H 0.25000000000000 0.00000000000000 0.45098698623185 1.008 > 73 74 H 0.75000000000000 0.00000000000000 0.45098698623185 1.008 > 73 75 H 0.25000000000000 0.00000000000000 0.95098698623185 1.008 > 73 76 H 0.75000000000000 0.00000000000000 0.95098698623185 1.008 > 73 77 H 0.00000000000000 0.70015521334976 0.35133622831583 1.008 > 77 78 H 0.50000000000000 0.70015521334976 0.35133622831583 1.008 > 77 79 H 0.00000000000000 0.70015521334976 0.85133622831583 1.008 > 77 80 H 0.50000000000000 0.70015521334976 0.85133622831583 1.008 > 77 81 H 0.00000000000000 0.50000000000000 0.04901301376815 1.008 > 81 82 H 0.50000000000000 0.50000000000000 0.04901301376815 1.008 > 81 83 H 0.00000000000000 0.50000000000000 0.54901301376815 1.008 > 81 84 H 0.50000000000000 0.50000000000000 0.54901301376815 1.008 > 81 85 H 0.25000000000000 0.20015521334976 0.14866377168417 1.008 > 85 86 H 0.75000000000000 0.20015521334976 0.14866377168417 1.008 > 85 87 H 0.25000000000000 0.20015521334976 0.64866377168417 1.008 > 85 88 H 0.75000000000000 0.20015521334976 0.64866377168417 1.008 > 85 89 H 0.00000000000000 0.29984478665024 0.35133622831583 1.008 > 89 90 H 0.50000000000000 0.29984478665024 0.35133622831583 1.008 > 89 91 H 0.00000000000000 0.29984478665024 0.85133622831583 1.008 > 89 92 H 0.50000000000000 0.29984478665024 0.85133622831583 1.008 > 89 93 H 0.14715838100334 0.00000000000000 0.08438291722656 1.008 > 93 94 H 0.64715838100334 0.00000000000000 0.08438291722656 1.008 > 93 95 H 0.14715838100334 0.00000000000000 0.58438291722656 1.008 > 93 96 H 0.64715838100334 0.00000000000000 0.58438291722656 1.008 > 93 97 H 0.37500000000000 0.25000000000000 0.00000000000000 1.008 > 97 98 H 0.87500000000000 0.25000000000000 0.00000000000000 1.008 > 97 99 H 0.37500000000000 0.25000000000000 0.50000000000000 1.008 > 97 100 H 0.87500000000000 0.25000000000000 0.50000000000000 1.008 > 97 101 H 0.25000000000000 0.79984478665024 0.14866377168417 1.008 > 101 102 H 0.75000000000000 0.79984478665024 0.14866377168417 1.008 > 101 103 H 0.25000000000000 0.79984478665024 0.64866377168417 1.008 > 101 104 H 0.75000000000000 0.79984478665024 0.64866377168417 1.008 > 101 105 H 0.10284161899666 0.50000000000000 0.41561708277344 1.008 > 105 106 H 0.60284161899666 0.50000000000000 0.41561708277344 1.008 > 105 107 H 0.10284161899666 0.50000000000000 0.91561708277344 1.008 > 105 108 H 0.60284161899666 0.50000000000000 0.91561708277344 1.008 > 105 109 H 0.12500000000000 0.25000000000000 0.00000000000000 1.008 > 109 110 H 0.62500000000000 0.25000000000000 0.00000000000000 1.008 > 109 111 H 0.12500000000000 0.25000000000000 0.50000000000000 1.008 > 109 112 H 0.62500000000000 0.25000000000000 0.50000000000000 1.008 > 109 113 H 0.37500000000000 0.75000000000000 0.00000000000000 1.008 > 113 114 H 0.87500000000000 0.75000000000000 0.00000000000000 1.008 > 113 115 H 0.37500000000000 0.75000000000000 0.50000000000000 1.008 > 113 116 H 0.87500000000000 0.75000000000000 0.50000000000000 1.008 > 113 117 H 0.12500000000000 0.75000000000000 0.00000000000000 1.008 > 117 118 H 0.62500000000000 0.75000000000000 0.00000000000000 1.008 > 117 119 H 0.12500000000000 0.75000000000000 0.50000000000000 1.008 > 117 120 H 0.62500000000000 0.75000000000000 0.50000000000000 1.008 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6810832 0.0000000 0.0000000 0.0000000 3.7662641 0.0000000 0.0000000 0.0000000 3.7013932 -------------------------- Born effective charges -------------------------- 1 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 0.0604870 0.0000000 0.0771005 1.0993624 2 Cs 1.2101412 0.0000000 0.0000000 0.0000000 1.1367693 0.0000000 0.0000000 0.0000000 1.2555412 3 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 -0.0604870 0.0000000 -0.0771005 1.0993624 4 Cs 1.2101412 0.0000000 0.0000000 0.0000000 1.1367693 0.0000000 0.0000000 0.0000000 1.2555412 5 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 0.0604870 0.0000000 0.0771005 1.0993624 6 Cs 1.2109097 0.0000000 0.0000000 0.0000000 1.1898832 -0.0604870 0.0000000 -0.0771005 1.0993624 7 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 -0.1468984 0.0000000 -0.1489435 1.5876677 8 Mg 1.4208150 0.0000000 0.0000000 0.0000000 1.5613063 0.0000000 0.0000000 0.0000000 1.6686679 9 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 0.1468984 0.0000000 0.1489435 1.5876677 10 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 0.1468984 0.0000000 0.1489435 1.5876677 11 Mg 1.4208150 0.0000000 0.0000000 0.0000000 1.5613063 0.0000000 0.0000000 0.0000000 1.6686679 12 Mg 1.6315979 0.0000000 0.0000000 0.0000000 1.8112908 -0.1468984 0.0000000 -0.1489435 1.5876677 13 H -0.8858073 0.0000000 -0.0118162 0.0000000 -0.9233284 0.0000000 -0.0250532 0.0000000 -0.8833027 14 H -0.8858073 0.0000000 -0.0118162 0.0000000 -0.9233284 0.0000000 -0.0250532 0.0000000 -0.8833027 15 H -0.9451428 0.0000000 -0.0766689 0.0000000 -0.9425062 0.0000000 -0.0828502 0.0000000 -0.9736337 16 H -0.9451428 0.0000000 0.0766689 0.0000000 -0.9425062 0.0000000 0.0828502 0.0000000 -0.9736337 17 H -0.9451428 0.0000000 -0.0766689 0.0000000 -0.9425062 0.0000000 -0.0828502 0.0000000 -0.9736337 18 H -0.9451428 0.0000000 0.0766689 0.0000000 -0.9425062 0.0000000 0.0828502 0.0000000 -0.9736337 19 H -0.7883733 0.0000000 0.0000000 0.0000000 -1.0919564 0.0000000 0.0000000 0.0000000 -0.9169756 20 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 -0.0729116 0.0000000 -0.0191428 -0.9977725 21 H -0.7883733 0.0000000 0.0000000 0.0000000 -1.0919564 0.0000000 0.0000000 0.0000000 -0.9169756 22 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 0.0729116 0.0000000 0.0191428 -0.9977725 23 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 0.0729116 0.0000000 0.0191428 -0.9977725 24 H -0.8858073 0.0000000 0.0118162 0.0000000 -0.9233284 0.0000000 0.0250532 0.0000000 -0.8833027 25 H -1.1184832 -0.2206667 0.1147151 -0.2359332 -0.9329538 0.0912601 0.1373471 0.0973198 -0.8359380 26 H -0.8143658 0.0000000 0.0000000 0.0000000 -1.0054452 -0.0729116 0.0000000 -0.0191428 -0.9977725 27 H -0.8858073 0.0000000 0.0118162 0.0000000 -0.9233284 0.0000000 0.0250532 0.0000000 -0.8833027 28 H -1.1184832 0.2206667 -0.1147151 0.2359332 -0.9329538 0.0912601 -0.1373471 0.0973198 -0.8359380 29 H -1.1184832 0.2206667 0.1147151 0.2359332 -0.9329538 -0.0912601 0.1373471 -0.0973198 -0.8359380 30 H -1.1184832 -0.2206667 -0.1147151 -0.2359332 -0.9329538 -0.0912601 -0.1373471 -0.0973198 -0.8359380 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) 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 5 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 305, Lambda: 0.11 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 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 1.384 ( 0.000 0.000 0.000) 0.000 1.408 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 12.998 ( 0.000 0.000 0.000) 0.000 13.042 ( 0.000 0.000 0.000) 0.000 13.609 ( 0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 13.951 ( 0.000 0.000 0.000) 0.000 14.027 ( 0.000 0.000 0.000) 0.000 14.868 ( 0.000 0.000 0.000) 0.000 15.883 ( 0.000 0.000 0.000) 0.000 16.088 ( 0.000 0.000 0.000) 0.000 16.824 ( 0.000 0.000 0.000) 0.000 16.941 ( 0.000 0.000 0.000) 0.000 17.203 ( 0.000 0.000 0.000) 0.000 18.265 ( 0.000 0.000 0.000) 0.000 18.390 ( 0.000 0.000 0.000) 0.000 18.561 ( 0.000 0.000 0.000) 0.000 18.840 ( 0.000 0.000 0.000) 0.000 18.901 ( 0.000 0.000 0.000) 0.000 19.029 ( 0.000 0.000 0.000) 0.000 20.371 ( 0.000 0.000 0.000) 0.000 20.575 ( 0.000 0.000 0.000) 0.000 21.444 ( 0.000 0.000 0.000) 0.000 22.562 ( 0.000 0.000 0.000) 0.000 23.505 ( 0.000 0.000 0.000) 0.000 23.896 ( 0.000 0.000 0.000) 0.000 23.922 ( 0.000 0.000 0.000) 0.000 23.983 ( 0.000 0.000 0.000) 0.000 24.935 ( 0.000 0.000 0.000) 0.000 25.275 ( 0.000 0.000 0.000) 0.000 26.714 ( 0.000 0.000 0.000) 0.000 26.992 ( 0.000 0.000 0.000) 0.000 27.199 ( 0.000 0.000 0.000) 0.000 27.691 ( 0.000 0.000 0.000) 0.000 28.133 ( 0.000 0.000 0.000) 0.000 28.201 ( 0.000 0.000 0.000) 0.000 28.246 ( 0.000 0.000 0.000) 0.000 28.797 ( 0.000 0.000 0.000) 0.000 28.826 ( 0.000 0.000 0.000) 0.000 29.552 ( 0.000 0.000 0.000) 0.000 29.675 ( 0.000 0.000 0.000) 0.000 31.674 ( 0.000 0.000 0.000) 0.000 31.804 ( 0.000 0.000 0.000) 0.000 32.272 ( 0.000 0.000 0.000) 0.000 33.331 ( 0.000 0.000 0.000) 0.000 33.361 ( 0.000 0.000 0.000) 0.000 33.997 ( 0.000 0.000 0.000) 0.000 34.079 ( 0.000 0.000 0.000) 0.000 34.083 ( 0.000 0.000 0.000) 0.000 36.133 ( 0.000 0.000 0.000) 0.000 36.514 ( 0.000 0.000 0.000) 0.000 37.336 ( 0.000 0.000 0.000) 0.000 37.439 ( 0.000 0.000 0.000) 0.000 40.731 ( 0.000 0.000 0.000) 0.000 41.382 ( 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 21.209 0.000 0.000) 21.209 0.465 ( 21.721 0.000 0.000) 21.721 0.793 ( 36.087 0.000 0.000) 36.087 1.398 ( 1.376 0.000 0.000) 1.376 1.405 ( -0.287 0.000 0.000) 0.287 1.529 ( 3.827 0.000 0.000) 3.827 1.545 ( -3.168 0.000 0.000) 3.168 1.647 ( 1.620 0.000 0.000) 1.620 1.680 ( -4.215 0.000 0.000) 4.215 1.700 ( 0.295 0.000 0.000) 0.295 1.747 ( 1.750 0.000 0.000) 1.750 1.769 ( 5.270 0.000 0.000) 5.270 1.840 ( 1.608 0.000 0.000) 1.608 1.935 ( -0.016 0.000 0.000) 0.016 1.960 ( -1.064 0.000 0.000) 1.064 2.017 ( 2.249 0.000 0.000) 2.249 2.040 ( -0.558 0.000 0.000) 0.558 2.095 ( -1.105 0.000 0.000) 1.105 3.799 ( 4.780 0.000 0.000) 4.780 3.804 ( 1.966 0.000 0.000) 1.966 4.253 ( 6.764 0.000 0.000) 6.764 4.407 ( 11.169 0.000 0.000) 11.169 4.589 ( 1.164 0.000 0.000) 1.164 4.730 ( -0.547 0.000 0.000) 0.547 5.039 ( -1.013 0.000 0.000) 1.013 5.330 ( 1.494 0.000 0.000) 1.494 5.523 ( 0.064 0.000 0.000) 0.064 5.581 ( -5.602 0.000 0.000) 5.602 6.691 ( -8.158 0.000 0.000) 8.158 7.115 ( -11.416 0.000 0.000) 11.416 7.841 ( 6.009 0.000 0.000) 6.009 8.225 ( 1.318 0.000 0.000) 1.318 8.519 ( -1.657 0.000 0.000) 1.657 8.582 ( -3.410 0.000 0.000) 3.410 10.169 ( 2.532 0.000 0.000) 2.532 11.031 ( -5.821 0.000 0.000) 5.821 12.942 ( 7.491 0.000 0.000) 7.491 13.105 ( 5.828 0.000 0.000) 5.828 13.261 ( 23.419 0.000 0.000) 23.419 13.867 ( 23.916 0.000 0.000) 23.916 13.911 ( 4.619 0.000 0.000) 4.619 14.075 ( 11.134 0.000 0.000) 11.134 14.695 ( 16.735 0.000 0.000) 16.735 15.015 ( 11.842 0.000 0.000) 11.842 15.838 ( -4.203 0.000 0.000) 4.203 16.032 ( -4.881 0.000 0.000) 4.881 16.642 ( -11.529 0.000 0.000) 11.529 16.851 ( -8.127 0.000 0.000) 8.127 17.442 ( 15.620 0.000 0.000) 15.620 18.205 ( -5.968 0.000 0.000) 5.968 18.386 ( 0.198 0.000 0.000) 0.198 18.751 ( 17.144 0.000 0.000) 17.144 18.787 ( -2.702 0.000 0.000) 2.702 19.016 ( 6.165 0.000 0.000) 6.165 19.170 ( 12.707 0.000 0.000) 12.707 20.064 ( -22.801 0.000 0.000) 22.801 21.801 ( 27.599 0.000 0.000) 27.599 22.571 ( 1.165 0.000 0.000) 1.165 22.997 ( 7.779 0.000 0.000) 7.779 23.501 ( -0.500 0.000 0.000) 0.500 23.860 ( -3.462 0.000 0.000) 3.462 24.096 ( 8.705 0.000 0.000) 8.705 24.899 ( -2.864 0.000 0.000) 2.864 25.130 ( -11.870 0.000 0.000) 11.870 25.646 ( 1.233 0.000 0.000) 1.233 26.556 ( -14.910 0.000 0.000) 14.910 26.967 ( -2.102 0.000 0.000) 2.102 27.191 ( -0.695 0.000 0.000) 0.695 27.603 ( -7.808 0.000 0.000) 7.808 27.883 ( -17.970 0.000 0.000) 17.970 28.288 ( 3.735 0.000 0.000) 3.735 28.822 ( 3.763 0.000 0.000) 3.763 28.878 ( 4.831 0.000 0.000) 4.831 28.992 ( 13.183 0.000 0.000) 13.183 29.543 ( -0.855 0.000 0.000) 0.855 29.604 ( -6.240 0.000 0.000) 6.240 31.672 ( -0.147 0.000 0.000) 0.147 31.778 ( -2.205 0.000 0.000) 2.205 32.272 ( 0.102 0.000 0.000) 0.102 33.122 ( -16.928 0.000 0.000) 16.928 33.359 ( -0.165 0.000 0.000) 0.165 33.879 ( -8.776 0.000 0.000) 8.776 34.245 ( 14.828 0.000 0.000) 14.828 34.756 ( 14.737 0.000 0.000) 14.737 36.523 ( 34.034 0.000 0.000) 34.034 37.300 ( -3.320 0.000 0.000) 3.320 37.398 ( -3.896 0.000 0.000) 3.896 38.332 ( 14.561 0.000 0.000) 14.561 40.642 ( -8.693 0.000 0.000) 8.693 41.280 ( -9.754 0.000 0.000) 9.754 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 18.139 0.000 0.000) 18.139 0.884 ( 18.478 0.000 0.000) 18.478 1.394 ( 0.760 0.000 0.000) 0.760 1.435 ( 1.906 0.000 0.000) 1.906 1.450 ( 23.837 0.000 0.000) 23.837 1.500 ( -1.123 0.000 0.000) 1.123 1.607 ( -1.688 0.000 0.000) 1.688 1.622 ( 4.562 0.000 0.000) 4.562 1.677 ( 0.992 0.000 0.000) 0.992 1.710 ( 0.805 0.000 0.000) 0.805 1.780 ( 1.126 0.000 0.000) 1.126 1.826 ( 0.651 0.000 0.000) 0.651 1.836 ( -1.736 0.000 0.000) 1.736 1.911 ( -2.331 0.000 0.000) 2.331 1.949 ( -0.026 0.000 0.000) 0.026 2.034 ( 0.165 0.000 0.000) 0.165 2.064 ( -1.830 0.000 0.000) 1.830 2.116 ( 6.385 0.000 0.000) 6.385 3.866 ( 3.991 0.000 0.000) 3.991 3.943 ( 8.960 0.000 0.000) 8.960 4.342 ( -0.749 0.000 0.000) 0.749 4.633 ( 3.243 0.000 0.000) 3.243 4.637 ( 6.652 0.000 0.000) 6.652 4.818 ( 11.112 0.000 0.000) 11.112 5.057 ( 4.267 0.000 0.000) 4.267 5.365 ( 1.667 0.000 0.000) 1.667 5.444 ( -5.486 0.000 0.000) 5.486 5.524 ( 0.048 0.000 0.000) 0.048 6.452 ( -14.564 0.000 0.000) 14.564 6.818 ( -16.707 0.000 0.000) 16.707 7.975 ( 6.530 0.000 0.000) 6.530 8.260 ( 1.956 0.000 0.000) 1.956 8.473 ( -2.666 0.000 0.000) 2.666 8.488 ( -5.447 0.000 0.000) 5.447 10.245 ( 4.761 0.000 0.000) 4.761 10.878 ( -8.475 0.000 0.000) 8.475 13.129 ( 9.876 0.000 0.000) 9.876 13.261 ( 8.399 0.000 0.000) 8.399 13.849 ( 29.914 0.000 0.000) 29.914 14.060 ( 9.881 0.000 0.000) 9.881 14.354 ( 14.076 0.000 0.000) 14.076 14.483 ( 30.601 0.000 0.000) 30.601 15.167 ( 27.125 0.000 0.000) 27.125 15.360 ( 21.488 0.000 0.000) 21.488 15.739 ( -3.623 0.000 0.000) 3.623 15.914 ( -5.818 0.000 0.000) 5.818 16.426 ( -9.281 0.000 0.000) 9.281 16.653 ( -9.137 0.000 0.000) 9.137 17.639 ( -0.811 0.000 0.000) 0.811 18.005 ( -13.740 0.000 0.000) 13.740 18.464 ( 9.296 0.000 0.000) 9.296 18.776 ( 1.703 0.000 0.000) 1.703 19.118 ( 3.142 0.000 0.000) 3.142 19.191 ( 23.198 0.000 0.000) 23.198 19.491 ( 16.463 0.000 0.000) 16.463 19.594 ( -20.874 0.000 0.000) 20.874 22.411 ( 29.230 0.000 0.000) 29.230 22.629 ( 5.062 0.000 0.000) 5.062 23.190 ( 9.572 0.000 0.000) 9.572 23.483 ( -1.116 0.000 0.000) 1.116 23.754 ( -6.575 0.000 0.000) 6.575 24.124 ( -12.080 0.000 0.000) 12.080 24.857 ( -0.049 0.000 0.000) 0.049 24.994 ( 4.643 0.000 0.000) 4.643 25.666 ( 0.222 0.000 0.000) 0.222 26.135 ( -24.237 0.000 0.000) 24.237 26.928 ( -1.016 0.000 0.000) 1.016 27.174 ( -0.853 0.000 0.000) 0.853 27.407 ( -10.207 0.000 0.000) 10.207 27.534 ( -14.401 0.000 0.000) 14.401 28.386 ( 5.416 0.000 0.000) 5.416 28.881 ( 0.518 0.000 0.000) 0.518 29.010 ( 7.515 0.000 0.000) 7.515 29.223 ( 8.266 0.000 0.000) 8.266 29.465 ( -5.648 0.000 0.000) 5.648 29.520 ( -1.354 0.000 0.000) 1.354 31.668 ( -0.197 0.000 0.000) 0.197 31.728 ( -2.331 0.000 0.000) 2.331 32.278 ( 0.500 0.000 0.000) 0.500 32.762 ( -15.907 0.000 0.000) 15.907 33.359 ( 0.332 0.000 0.000) 0.332 33.697 ( -8.314 0.000 0.000) 8.314 34.639 ( 21.655 0.000 0.000) 21.655 35.084 ( 15.427 0.000 0.000) 15.427 37.208 ( -5.299 0.000 0.000) 5.299 37.288 ( -6.400 0.000 0.000) 6.400 37.380 ( 45.791 0.000 0.000) 45.791 38.750 ( 25.032 0.000 0.000) 25.032 40.366 ( -18.117 0.000 0.000) 18.117 40.986 ( -18.423 0.000 0.000) 18.423 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 11.415 0.000 0.000) 11.415 1.215 ( 13.087 0.000 0.000) 13.087 1.382 ( -1.179 0.000 0.000) 1.179 1.461 ( 0.095 0.000 0.000) 0.095 1.500 ( 1.027 0.000 0.000) 1.027 1.542 ( -1.541 0.000 0.000) 1.541 1.682 ( -0.077 0.000 0.000) 0.077 1.698 ( 2.596 0.000 0.000) 2.596 1.740 ( 2.189 0.000 0.000) 2.189 1.770 ( -2.326 0.000 0.000) 2.326 1.786 ( -0.668 0.000 0.000) 0.668 1.840 ( 1.262 0.000 0.000) 1.262 1.851 ( -3.335 0.000 0.000) 3.335 1.851 ( 6.759 0.000 0.000) 6.759 1.954 ( 0.680 0.000 0.000) 0.680 2.023 ( -2.112 0.000 0.000) 2.112 2.082 ( 6.301 0.000 0.000) 6.301 2.226 ( 3.218 0.000 0.000) 3.218 3.967 ( 5.743 0.000 0.000) 5.743 4.160 ( 11.668 0.000 0.000) 11.668 4.247 ( -6.758 0.000 0.000) 6.758 4.610 ( -7.150 0.000 0.000) 7.150 4.729 ( 6.090 0.000 0.000) 6.090 5.061 ( -7.030 0.000 0.000) 7.030 5.139 ( 17.023 0.000 0.000) 17.023 5.391 ( 0.656 0.000 0.000) 0.656 5.539 ( 2.367 0.000 0.000) 2.367 5.561 ( 17.673 0.000 0.000) 17.673 6.105 ( -18.457 0.000 0.000) 18.457 6.435 ( -20.128 0.000 0.000) 20.128 8.107 ( 6.269 0.000 0.000) 6.269 8.304 ( 2.303 0.000 0.000) 2.303 8.365 ( -6.187 0.000 0.000) 6.187 8.414 ( -2.915 0.000 0.000) 2.915 10.364 ( 6.616 0.000 0.000) 6.616 10.695 ( -8.950 0.000 0.000) 8.950 13.323 ( 8.197 0.000 0.000) 8.197 13.410 ( 4.971 0.000 0.000) 4.971 14.321 ( 15.128 0.000 0.000) 15.128 14.375 ( 19.142 0.000 0.000) 19.142 14.589 ( 7.340 0.000 0.000) 7.340 14.850 ( 0.748 0.000 0.000) 0.748 15.677 ( 20.287 0.000 0.000) 20.287 15.777 ( 5.507 0.000 0.000) 5.507 15.820 ( -2.716 0.000 0.000) 2.716 15.965 ( 36.248 0.000 0.000) 36.248 16.243 ( -8.952 0.000 0.000) 8.952 16.609 ( 9.776 0.000 0.000) 9.776 17.368 ( -23.634 0.000 0.000) 23.634 17.623 ( -23.254 0.000 0.000) 23.254 18.741 ( 14.751 0.000 0.000) 14.751 18.853 ( 5.494 0.000 0.000) 5.494 19.128 ( -2.444 0.000 0.000) 2.444 19.234 ( -13.838 0.000 0.000) 13.838 19.626 ( 17.066 0.000 0.000) 17.066 19.778 ( 9.727 0.000 0.000) 9.727 22.804 ( 12.307 0.000 0.000) 12.307 22.947 ( 21.250 0.000 0.000) 21.250 23.337 ( 3.311 0.000 0.000) 3.311 23.466 ( -0.125 0.000 0.000) 0.125 23.608 ( -6.862 0.000 0.000) 6.862 23.677 ( -25.758 0.000 0.000) 25.758 24.933 ( 7.909 0.000 0.000) 7.909 25.244 ( 14.616 0.000 0.000) 14.616 25.622 ( -23.835 0.000 0.000) 23.835 25.635 ( -3.643 0.000 0.000) 3.643 26.945 ( 2.845 0.000 0.000) 2.845 27.164 ( 0.133 0.000 0.000) 0.133 27.206 ( -8.949 0.000 0.000) 8.949 27.303 ( -8.026 0.000 0.000) 8.026 28.507 ( 6.367 0.000 0.000) 6.367 28.812 ( -6.649 0.000 0.000) 6.649 29.169 ( 7.266 0.000 0.000) 7.266 29.323 ( 1.427 0.000 0.000) 1.427 29.413 ( 0.465 0.000 0.000) 0.465 29.488 ( -1.718 0.000 0.000) 1.718 31.665 ( -0.026 0.000 0.000) 0.026 31.689 ( -1.407 0.000 0.000) 1.407 32.298 ( 1.673 0.000 0.000) 1.673 32.498 ( -9.514 0.000 0.000) 9.514 33.380 ( 1.777 0.000 0.000) 1.777 33.544 ( -6.303 0.000 0.000) 6.303 35.073 ( 18.657 0.000 0.000) 18.657 35.336 ( 7.522 0.000 0.000) 7.522 37.102 ( -4.192 0.000 0.000) 4.192 37.152 ( -6.056 0.000 0.000) 6.056 38.334 ( 44.933 0.000 0.000) 44.933 39.330 ( 29.990 0.000 0.000) 29.990 39.887 ( -28.258 0.000 0.000) 28.258 40.530 ( -25.324 0.000 0.000) 25.324 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -4.414 0.000 0.000) 4.414 1.330 ( 4.414 0.000 0.000) 4.414 1.411 ( -5.646 0.000 0.000) 5.646 1.411 ( 5.646 0.000 0.000) 5.646 1.522 ( -0.714 0.000 0.000) 0.714 1.522 ( 0.714 0.000 0.000) 0.714 1.706 ( -2.679 0.000 0.000) 2.679 1.706 ( 2.679 0.000 0.000) 2.679 1.749 ( -2.613 0.000 0.000) 2.613 1.749 ( 2.613 0.000 0.000) 2.613 1.789 ( -2.447 0.000 0.000) 2.447 1.789 ( 2.447 0.000 0.000) 2.447 1.875 ( -1.602 0.000 0.000) 1.602 1.875 ( 1.602 0.000 0.000) 1.602 1.981 ( -1.825 0.000 0.000) 1.825 1.981 ( 1.825 0.000 0.000) 1.825 2.221 ( -4.099 0.000 0.000) 4.099 2.221 ( 4.099 0.000 0.000) 4.099 4.100 ( -6.976 0.000 0.000) 6.976 4.100 ( 6.976 0.000 0.000) 6.976 4.407 ( -11.569 0.000 0.000) 11.569 4.407 ( 11.569 0.000 0.000) 11.569 4.883 ( -8.610 0.000 0.000) 8.610 4.883 ( 8.610 0.000 0.000) 8.610 5.373 ( -3.851 0.000 0.000) 3.851 5.373 ( 3.851 0.000 0.000) 3.851 5.724 ( -16.468 0.000 0.000) 16.468 5.724 ( 16.468 0.000 0.000) 16.468 5.995 ( -22.025 0.000 0.000) 22.025 5.995 ( 22.025 0.000 0.000) 22.025 8.236 ( -6.252 0.000 0.000) 6.252 8.236 ( 6.252 0.000 0.000) 6.252 8.355 ( -2.675 0.000 0.000) 2.675 8.355 ( 2.675 0.000 0.000) 2.675 10.517 ( -8.120 0.000 0.000) 8.120 10.517 ( 8.120 0.000 0.000) 8.120 13.439 ( -2.349 0.000 0.000) 2.349 13.439 ( 2.349 0.000 0.000) 2.349 14.621 ( -4.819 0.000 0.000) 4.819 14.621 ( 4.819 0.000 0.000) 4.819 14.652 ( -15.370 0.000 0.000) 15.370 14.652 ( 15.370 0.000 0.000) 15.370 15.809 ( -0.959 0.000 0.000) 0.959 15.809 ( 0.959 0.000 0.000) 0.959 16.022 ( -13.241 0.000 0.000) 13.241 16.022 ( 13.241 0.000 0.000) 13.241 16.735 ( -35.787 0.000 0.000) 35.787 16.735 ( 35.787 0.000 0.000) 35.787 17.067 ( -28.680 0.000 0.000) 28.680 17.067 ( 28.680 0.000 0.000) 28.680 18.979 ( -0.389 0.000 0.000) 0.389 18.979 ( 0.389 0.000 0.000) 0.389 19.026 ( -0.333 0.000 0.000) 0.333 19.026 ( 0.333 0.000 0.000) 0.333 19.847 ( -3.679 0.000 0.000) 3.679 19.847 ( 3.679 0.000 0.000) 3.679 23.134 ( -16.185 0.000 0.000) 16.185 23.134 ( 16.185 0.000 0.000) 16.185 23.303 ( -3.772 0.000 0.000) 3.772 23.303 ( 3.772 0.000 0.000) 3.772 23.497 ( -3.470 0.000 0.000) 3.470 23.497 ( 3.470 0.000 0.000) 3.470 25.192 ( -16.999 0.000 0.000) 16.999 25.192 ( 16.999 0.000 0.000) 16.999 25.501 ( -9.516 0.000 0.000) 9.516 25.501 ( 9.516 0.000 0.000) 9.516 27.044 ( -6.516 0.000 0.000) 6.516 27.044 ( 6.516 0.000 0.000) 6.516 27.192 ( -2.978 0.000 0.000) 2.978 27.192 ( 2.978 0.000 0.000) 2.978 28.653 ( -7.770 0.000 0.000) 7.770 28.653 ( 7.770 0.000 0.000) 7.770 29.291 ( -4.127 0.000 0.000) 4.127 29.291 ( 4.127 0.000 0.000) 4.127 29.447 ( -2.135 0.000 0.000) 2.135 29.447 ( 2.135 0.000 0.000) 2.135 31.670 ( -0.504 0.000 0.000) 0.504 31.670 ( 0.504 0.000 0.000) 0.504 32.358 ( -4.424 0.000 0.000) 4.424 32.358 ( 4.424 0.000 0.000) 4.424 33.438 ( -3.948 0.000 0.000) 3.948 33.438 ( 3.948 0.000 0.000) 3.948 35.349 ( -6.778 0.000 0.000) 6.778 35.349 ( 6.778 0.000 0.000) 6.778 37.068 ( -1.407 0.000 0.000) 1.407 37.068 ( 1.407 0.000 0.000) 1.407 39.199 ( -37.953 0.000 0.000) 37.953 39.199 ( 37.953 0.000 0.000) 37.953 39.955 ( -29.642 0.000 0.000) 29.642 39.955 ( 29.642 0.000 0.000) 29.642 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 20.532 0.000) 20.532 0.457 ( 0.000 21.273 0.000) 21.273 0.742 ( 0.000 29.974 0.000) 29.974 1.308 ( 0.000 -5.359 0.000) 5.359 1.371 ( 0.000 -1.173 0.000) 1.173 1.459 ( 0.000 -12.558 0.000) 12.558 1.582 ( 0.000 3.127 0.000) 3.127 1.628 ( 0.000 0.996 0.000) 0.996 1.641 ( 0.000 0.904 0.000) 0.904 1.714 ( 0.000 1.613 0.000) 1.613 1.734 ( 0.000 -1.156 0.000) 1.156 1.824 ( 0.000 3.618 0.000) 3.618 1.870 ( 0.000 7.087 0.000) 7.087 1.937 ( 0.000 -2.304 0.000) 2.304 1.957 ( 0.000 0.164 0.000) 0.164 2.011 ( 0.000 1.501 0.000) 1.501 2.049 ( 0.000 0.091 0.000) 0.091 2.097 ( 0.000 -1.042 0.000) 1.042 3.824 ( 0.000 3.921 0.000) 3.921 4.050 ( 0.000 9.905 0.000) 9.905 4.055 ( 0.000 2.429 0.000) 2.429 4.259 ( 0.000 -2.086 0.000) 2.086 4.414 ( 0.000 -12.492 0.000) 12.492 4.902 ( 0.000 7.933 0.000) 7.933 5.045 ( 0.000 -1.168 0.000) 1.168 5.289 ( 0.000 0.283 0.000) 0.283 5.311 ( 0.000 -0.203 0.000) 0.203 5.456 ( 0.000 -17.083 0.000) 17.083 6.817 ( 0.000 3.868 0.000) 3.868 7.198 ( 0.000 -4.635 0.000) 4.635 7.880 ( 0.000 6.164 0.000) 6.164 8.250 ( 0.000 3.462 0.000) 3.462 8.513 ( 0.000 -2.247 0.000) 2.247 8.518 ( 0.000 -8.818 0.000) 8.818 10.270 ( 0.000 11.411 0.000) 11.411 11.026 ( 0.000 -6.838 0.000) 6.838 12.874 ( 0.000 1.754 0.000) 1.754 13.023 ( 0.000 -1.632 0.000) 1.632 13.073 ( 0.000 6.990 0.000) 6.990 13.582 ( 0.000 -3.136 0.000) 3.136 13.951 ( 0.000 0.370 0.000) 0.370 14.028 ( 0.000 -0.124 0.000) 0.124 14.411 ( 0.000 20.410 0.000) 20.410 14.910 ( 0.000 4.258 0.000) 4.258 15.674 ( 0.000 -16.997 0.000) 16.997 16.321 ( 0.000 -30.083 0.000) 30.083 17.195 ( 0.000 5.962 0.000) 5.962 17.305 ( 0.000 15.406 0.000) 15.406 17.431 ( 0.000 18.931 0.000) 18.931 18.383 ( 0.000 0.474 0.000) 0.474 18.473 ( 0.000 -8.439 0.000) 8.439 18.849 ( 0.000 0.882 0.000) 0.882 18.876 ( 0.000 -3.413 0.000) 3.413 19.003 ( 0.000 -2.432 0.000) 2.432 19.872 ( 0.000 -3.678 0.000) 3.678 20.267 ( 0.000 -9.381 0.000) 9.381 20.660 ( 0.000 8.059 0.000) 8.059 21.361 ( 0.000 -7.887 0.000) 7.887 22.705 ( 0.000 12.934 0.000) 12.934 23.469 ( 0.000 -4.087 0.000) 4.087 23.926 ( 0.000 0.410 0.000) 0.410 23.975 ( 0.000 -0.714 0.000) 0.714 24.943 ( 0.000 2.786 0.000) 2.786 25.235 ( 0.000 -3.785 0.000) 3.785 26.516 ( 0.000 0.383 0.000) 0.383 26.618 ( 0.000 -5.516 0.000) 5.516 27.144 ( 0.000 10.875 0.000) 10.875 27.652 ( 0.000 -3.848 0.000) 3.848 28.168 ( 0.000 2.269 0.000) 2.269 28.200 ( 0.000 -0.090 0.000) 0.090 28.279 ( 0.000 4.178 0.000) 4.178 28.771 ( 0.000 -5.299 0.000) 5.299 28.861 ( 0.000 6.416 0.000) 6.416 29.568 ( 0.000 1.516 0.000) 1.516 29.591 ( 0.000 -8.666 0.000) 8.666 29.769 ( 0.000 -4.651 0.000) 4.651 31.695 ( 0.000 1.906 0.000) 1.906 31.798 ( 0.000 -0.605 0.000) 0.605 32.475 ( 0.000 6.884 0.000) 6.884 33.122 ( 0.000 -11.396 0.000) 11.396 33.550 ( 0.000 9.354 0.000) 9.354 33.963 ( 0.000 -3.278 0.000) 3.278 34.079 ( 0.000 -0.007 0.000) 0.007 34.082 ( 0.000 -0.071 0.000) 0.071 36.169 ( 0.000 3.448 0.000) 3.448 36.477 ( 0.000 -3.479 0.000) 3.479 37.346 ( 0.000 0.908 0.000) 0.908 37.429 ( 0.000 -0.969 0.000) 0.969 41.021 ( 0.000 3.703 0.000) 3.703 41.345 ( 0.000 -3.592 0.000) 3.592 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 13.932 14.327 0.000) 19.984 0.681 ( 15.294 13.671 0.000) 20.514 1.011 ( 23.506 17.181 0.000) 29.116 1.332 ( 2.053 -4.386 0.000) 4.843 1.364 ( 0.037 -3.650 0.000) 3.651 1.501 ( 2.281 -4.974 0.000) 5.472 1.591 ( 0.966 1.611 0.000) 1.879 1.636 ( 1.261 -1.133 0.000) 1.695 1.658 ( -2.857 0.261 0.000) 2.869 1.679 ( 2.921 0.103 0.000) 2.923 1.768 ( 0.930 4.938 0.000) 5.024 1.839 ( 0.984 0.604 0.000) 1.154 1.872 ( -0.352 3.699 0.000) 3.715 1.959 ( 1.314 2.105 0.000) 2.481 1.970 ( 1.470 -0.238 0.000) 1.489 2.000 ( 0.109 -0.073 0.000) 0.131 2.033 ( -1.138 -0.574 0.000) 1.275 2.096 ( -0.433 -0.259 0.000) 0.505 3.842 ( 1.800 3.708 0.000) 4.122 3.937 ( -0.505 10.465 0.000) 10.477 4.239 ( 6.534 -0.797 0.000) 6.583 4.379 ( 10.390 -2.771 0.000) 10.753 4.438 ( 4.905 -7.675 0.000) 9.109 4.873 ( -1.638 7.925 0.000) 8.092 5.030 ( -0.984 -1.204 0.000) 1.555 5.331 ( 1.762 0.046 0.000) 1.763 5.408 ( -4.273 -15.684 0.000) 16.256 5.410 ( 5.970 -5.082 0.000) 7.840 6.736 ( -7.738 4.215 0.000) 8.811 7.091 ( -10.148 -3.250 0.000) 10.656 7.912 ( 3.616 5.935 0.000) 6.949 8.260 ( 0.887 3.077 0.000) 3.202 8.493 ( -2.380 -7.908 0.000) 8.259 8.498 ( -1.478 -2.066 0.000) 2.540 10.280 ( 1.028 10.007 0.000) 10.059 10.965 ( -5.371 -6.347 0.000) 8.315 12.960 ( 7.476 1.646 0.000) 7.655 13.095 ( 6.617 -1.321 0.000) 6.748 13.315 ( 21.105 5.479 0.000) 21.804 13.827 ( 21.790 -4.434 0.000) 22.236 14.095 ( 13.662 2.300 0.000) 13.854 14.148 ( 7.744 12.528 0.000) 14.729 14.594 ( 18.307 4.731 0.000) 18.908 15.038 ( 11.436 3.532 0.000) 11.969 15.633 ( -3.349 -16.285 0.000) 16.626 16.305 ( -1.925 -25.197 0.000) 25.271 16.724 ( -31.063 29.884 0.000) 43.104 17.070 ( -13.756 13.779 0.000) 19.471 17.664 ( 13.066 16.941 0.000) 21.395 18.363 ( -1.536 -1.122 0.000) 1.903 18.451 ( -14.922 3.643 0.000) 15.360 18.656 ( -5.572 1.501 0.000) 5.770 18.919 ( 7.490 5.007 0.000) 9.010 19.114 ( -1.211 13.174 0.000) 13.230 19.148 ( 13.085 -2.054 0.000) 13.245 19.965 ( -22.121 -9.183 0.000) 23.951 21.718 ( 27.431 -7.531 0.000) 28.446 21.953 ( 47.069 -44.096 0.000) 64.498 22.706 ( 0.666 11.381 0.000) 11.400 23.450 ( -1.613 -5.239 0.000) 5.482 24.029 ( 6.245 3.554 0.000) 7.186 24.101 ( 9.707 0.239 0.000) 9.710 24.877 ( -5.671 1.499 0.000) 5.866 25.097 ( -11.615 -3.054 0.000) 12.010 26.291 ( -17.795 17.831 0.000) 25.191 26.518 ( -9.776 -2.500 0.000) 10.091 27.057 ( -6.912 7.540 0.000) 10.228 27.477 ( -16.178 1.991 0.000) 16.300 27.765 ( -26.086 23.162 0.000) 34.885 27.959 ( -18.780 6.936 0.000) 20.019 28.287 ( 5.163 0.038 0.000) 5.163 28.666 ( 2.876 -8.288 0.000) 8.773 29.034 ( 11.216 4.262 0.000) 11.999 29.188 ( -8.770 17.456 0.000) 19.535 29.550 ( -1.648 0.651 0.000) 1.772 29.563 ( -6.647 -3.259 0.000) 7.403 31.669 ( -0.771 0.448 0.000) 0.892 31.770 ( -2.361 -0.822 0.000) 2.500 32.349 ( -3.087 7.073 0.000) 7.718 32.988 ( -12.206 -10.031 0.000) 15.799 33.470 ( -4.785 7.842 0.000) 9.187 33.849 ( -8.570 -2.974 0.000) 9.071 34.253 ( 15.491 0.898 0.000) 15.517 34.579 ( 23.166 -12.462 0.000) 26.305 36.574 ( 35.059 4.924 0.000) 35.403 37.306 ( -2.446 0.053 0.000) 2.447 37.389 ( -3.807 -0.880 0.000) 3.908 37.551 ( 54.970 -40.044 0.000) 68.009 40.820 ( -14.791 9.313 0.000) 17.479 41.239 ( -10.032 -3.906 0.000) 10.766 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 15.082 7.322 0.000) 16.765 0.986 ( 14.159 7.811 0.000) 16.171 1.363 ( 1.908 -2.616 0.000) 3.238 1.378 ( 1.239 -4.108 0.000) 4.291 1.495 ( 14.234 2.220 0.000) 14.406 1.529 ( 0.863 1.207 0.000) 1.484 1.616 ( 3.199 0.707 0.000) 3.276 1.639 ( 3.328 2.161 0.000) 3.968 1.664 ( 0.855 -1.903 0.000) 2.087 1.738 ( 2.440 -1.319 0.000) 2.774 1.789 ( 1.394 7.515 0.000) 7.643 1.838 ( -1.023 0.171 0.000) 1.037 1.854 ( -1.048 1.389 0.000) 1.740 1.935 ( -2.536 2.125 0.000) 3.309 1.984 ( 0.428 2.585 0.000) 2.621 2.016 ( -0.128 -1.369 0.000) 1.375 2.076 ( -1.416 0.658 0.000) 1.561 2.097 ( 6.643 -1.665 0.000) 6.848 3.900 ( 3.752 3.243 0.000) 4.959 4.000 ( 5.758 5.603 0.000) 8.034 4.280 ( -1.200 -5.763 0.000) 5.887 4.579 ( 4.932 -5.682 0.000) 7.524 4.642 ( 10.354 2.841 0.000) 10.737 4.890 ( 6.195 5.082 0.000) 8.013 5.050 ( 3.536 -0.638 0.000) 3.593 5.317 ( -1.929 -11.587 0.000) 11.746 5.375 ( 2.280 0.904 0.000) 2.452 5.485 ( 2.017 -2.928 0.000) 3.555 6.505 ( -14.247 4.811 0.000) 15.037 6.809 ( -16.409 -1.500 0.000) 16.477 8.010 ( 5.299 3.528 0.000) 6.366 8.284 ( 1.356 2.142 0.000) 2.536 8.425 ( -4.032 -5.686 0.000) 6.970 8.457 ( -2.356 -1.573 0.000) 2.833 10.318 ( 2.722 6.704 0.000) 7.236 10.825 ( -7.678 -5.071 0.000) 9.201 13.151 ( 10.329 2.020 0.000) 10.524 13.273 ( 9.699 0.261 0.000) 9.703 13.804 ( 22.337 -0.007 0.000) 22.337 14.269 ( 16.064 -7.474 0.000) 17.718 14.343 ( 12.300 20.894 0.000) 24.246 14.545 ( 27.642 5.071 0.000) 28.104 15.103 ( 28.694 -2.928 0.000) 28.843 15.350 ( 18.180 0.502 0.000) 18.187 15.581 ( 0.232 -11.925 0.000) 11.927 16.231 ( -5.107 -17.596 0.000) 18.322 16.258 ( -13.628 25.395 0.000) 28.821 16.803 ( -10.828 10.966 0.000) 15.411 17.810 ( -3.797 14.531 0.000) 15.019 18.082 ( -17.889 6.022 0.000) 18.875 18.396 ( 7.983 -5.914 0.000) 9.935 18.707 ( 4.542 -6.750 0.000) 8.136 19.067 ( 3.178 -0.982 0.000) 3.326 19.323 ( 18.200 8.480 0.000) 20.078 19.458 ( 6.431 -4.334 0.000) 7.755 19.547 ( -8.051 -3.061 0.000) 8.613 22.313 ( 27.812 -8.621 0.000) 29.118 22.571 ( 16.946 -24.564 0.000) 29.842 22.773 ( 7.416 0.319 0.000) 7.423 23.409 ( -2.314 -7.013 0.000) 7.385 24.044 ( -5.867 12.609 0.000) 13.907 24.163 ( -9.610 3.284 0.000) 10.156 24.791 ( -0.550 -2.935 0.000) 2.986 24.936 ( 1.484 -4.858 0.000) 5.079 26.015 ( -7.506 22.539 0.000) 23.756 26.232 ( -16.362 7.884 0.000) 18.162 26.928 ( -4.440 0.601 0.000) 4.481 27.205 ( -8.507 -0.124 0.000) 8.508 27.442 ( -10.635 5.524 0.000) 11.984 27.586 ( -15.467 4.213 0.000) 16.031 28.421 ( 6.928 3.502 0.000) 7.763 28.821 ( 8.708 -5.348 0.000) 10.219 29.110 ( -2.770 8.584 0.000) 9.020 29.223 ( 6.596 0.281 0.000) 6.602 29.422 ( -5.439 -3.852 0.000) 6.664 29.503 ( -2.832 -1.690 0.000) 3.298 31.660 ( -0.297 -0.490 0.000) 0.572 31.718 ( -2.363 -0.987 0.000) 2.561 32.317 ( -0.579 3.749 0.000) 3.793 32.702 ( -13.317 -5.419 0.000) 14.377 33.405 ( -1.640 4.086 0.000) 4.403 33.672 ( -7.947 -2.400 0.000) 8.302 34.658 ( 21.848 1.888 0.000) 21.929 35.002 ( 18.056 -7.156 0.000) 19.422 37.214 ( -5.432 0.632 0.000) 5.469 37.278 ( -5.727 -0.857 0.000) 5.791 37.450 ( 45.614 6.715 0.000) 46.106 38.458 ( 36.996 -23.266 0.000) 43.703 40.464 ( -20.150 7.864 0.000) 21.631 40.938 ( -18.816 -4.590 0.000) 19.368 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 9.721 3.161 0.000) 10.222 1.247 ( 10.379 2.476 0.000) 10.671 1.376 ( -0.399 -0.583 0.000) 0.706 1.405 ( 0.971 -3.275 0.000) 3.416 1.539 ( -0.586 0.007 0.000) 0.586 1.547 ( 0.731 2.247 0.000) 2.363 1.667 ( -0.072 -1.449 0.000) 1.451 1.674 ( 2.043 -1.933 0.000) 2.813 1.774 ( 0.690 -0.960 0.000) 1.182 1.776 ( -1.129 0.350 0.000) 1.182 1.797 ( 1.735 4.104 0.000) 4.455 1.841 ( 0.114 0.570 0.000) 0.582 1.879 ( 2.540 2.484 0.000) 3.553 1.880 ( -2.556 2.533 0.000) 3.599 1.988 ( 0.176 2.597 0.000) 2.603 2.035 ( -1.364 1.352 0.000) 1.920 2.084 ( 6.999 0.384 0.000) 7.010 2.212 ( 3.563 -1.245 0.000) 3.774 3.994 ( 5.286 2.533 0.000) 5.861 4.154 ( 8.854 -0.002 0.000) 8.854 4.220 ( -4.387 -2.415 0.000) 5.008 4.536 ( -7.055 -6.960 0.000) 9.910 4.766 ( 4.392 3.439 0.000) 5.578 5.023 ( -6.246 -3.209 0.000) 7.022 5.175 ( 16.789 3.224 0.000) 17.096 5.388 ( 1.704 -0.854 0.000) 1.906 5.529 ( 3.750 -0.774 0.000) 3.829 5.540 ( 18.506 -1.550 0.000) 18.571 6.161 ( -18.559 4.995 0.000) 19.219 6.428 ( -20.105 -0.966 0.000) 20.129 8.120 ( 5.240 1.401 0.000) 5.424 8.315 ( 1.409 0.707 0.000) 1.576 8.332 ( -4.549 -2.765 0.000) 5.324 8.405 ( -2.507 -0.852 0.000) 2.647 10.395 ( 4.720 2.965 0.000) 5.574 10.663 ( -7.786 -3.086 0.000) 8.376 13.359 ( 8.990 3.191 0.000) 9.540 13.449 ( 6.073 2.788 0.000) 6.683 14.175 ( 14.421 -5.062 0.000) 15.283 14.477 ( 3.683 -9.252 0.000) 9.959 14.625 ( 12.898 15.223 0.000) 19.953 14.916 ( 4.411 5.135 0.000) 6.769 15.637 ( 18.809 -2.207 0.000) 18.938 15.714 ( 9.561 -4.369 0.000) 10.512 15.748 ( 14.808 -3.917 0.000) 15.318 16.123 ( -4.585 -11.619 0.000) 12.491 16.221 ( 16.249 19.197 0.000) 25.151 16.717 ( 6.370 8.609 0.000) 10.710 17.482 ( -25.402 9.747 0.000) 27.208 17.658 ( -23.795 3.163 0.000) 24.004 18.663 ( 14.536 -6.971 0.000) 16.121 18.825 ( 6.772 -4.459 0.000) 8.108 19.065 ( -3.127 -3.541 0.000) 4.724 19.202 ( -11.883 -2.796 0.000) 12.207 19.693 ( 14.977 5.444 0.000) 15.936 19.791 ( 10.495 1.172 0.000) 10.561 22.796 ( 17.149 -12.426 0.000) 21.178 22.805 ( 9.906 -4.650 0.000) 10.943 22.977 ( 9.020 -15.137 0.000) 17.620 23.352 ( -3.902 -8.977 0.000) 9.788 23.800 ( -18.272 9.036 0.000) 20.384 23.849 ( -10.772 11.194 0.000) 15.535 24.863 ( 6.566 -3.834 0.000) 7.604 25.059 ( 4.316 -10.536 0.000) 11.386 25.921 ( -3.170 21.543 0.000) 21.775 25.936 ( -9.739 21.639 0.000) 23.729 26.893 ( 1.044 -4.471 0.000) 4.591 27.069 ( -5.649 -6.998 0.000) 8.993 27.279 ( -4.799 4.648 0.000) 6.681 27.344 ( -8.006 3.147 0.000) 8.603 28.564 ( 6.951 5.522 0.000) 8.877 28.879 ( -5.600 6.093 0.000) 8.275 29.117 ( 6.212 -4.930 0.000) 7.931 29.307 ( 1.462 -1.335 0.000) 1.980 29.372 ( -0.124 -3.457 0.000) 3.460 29.435 ( -3.617 -5.125 0.000) 6.273 31.656 ( -0.036 -0.707 0.000) 0.708 31.679 ( -1.372 -0.902 0.000) 1.642 32.320 ( 0.946 1.987 0.000) 2.200 32.480 ( -7.996 -1.754 0.000) 8.186 33.396 ( 0.707 1.560 0.000) 1.713 33.529 ( -5.751 -1.452 0.000) 5.931 35.088 ( 18.089 1.472 0.000) 18.149 35.298 ( 9.348 -3.476 0.000) 9.973 37.104 ( -4.473 0.239 0.000) 4.480 37.145 ( -5.969 -0.654 0.000) 6.004 38.402 ( 44.619 6.640 0.000) 45.110 39.182 ( 33.248 -12.805 0.000) 35.628 39.966 ( -27.899 6.839 0.000) 28.725 40.472 ( -25.895 -5.472 0.000) 26.467 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -3.509 0.751 0.000) 3.588 1.338 ( 3.509 0.751 0.000) 3.588 1.392 ( -3.222 -1.457 0.000) 3.536 1.392 ( 3.222 -1.457 0.000) 3.536 1.544 ( -0.855 1.583 0.000) 1.799 1.544 ( 0.855 1.583 0.000) 1.799 1.685 ( -1.366 -1.563 0.000) 2.075 1.685 ( 1.366 -1.563 0.000) 2.075 1.759 ( -1.147 0.665 0.000) 1.326 1.759 ( 1.147 0.665 0.000) 1.326 1.835 ( -1.750 3.625 0.000) 4.026 1.835 ( 1.750 3.625 0.000) 4.026 1.868 ( -1.843 -0.346 0.000) 1.875 1.868 ( 1.843 -0.346 0.000) 1.875 2.002 ( -1.293 1.777 0.000) 2.197 2.002 ( 1.293 1.777 0.000) 2.197 2.217 ( -3.441 -0.188 0.000) 3.446 2.217 ( 3.441 -0.188 0.000) 3.446 4.111 ( -5.749 0.948 0.000) 5.827 4.111 ( 5.749 0.948 0.000) 5.827 4.352 ( -9.801 -4.642 0.000) 10.845 4.352 ( 9.801 -4.642 0.000) 10.845 4.880 ( -6.638 -0.194 0.000) 6.641 4.880 ( 6.638 -0.194 0.000) 6.641 5.384 ( -2.783 0.776 0.000) 2.889 5.384 ( 2.783 0.776 0.000) 2.889 5.755 ( -17.219 2.809 0.000) 17.447 5.755 ( 17.219 2.809 0.000) 17.447 5.991 ( -21.183 -0.434 0.000) 21.188 5.991 ( 21.183 -0.434 0.000) 21.188 8.227 ( -5.117 -0.752 0.000) 5.171 8.227 ( 5.117 -0.752 0.000) 5.171 8.356 ( -2.173 0.053 0.000) 2.173 8.356 ( 2.173 0.053 0.000) 2.173 10.512 ( -6.578 -0.388 0.000) 6.589 10.512 ( 6.578 -0.388 0.000) 6.589 13.487 ( -2.613 4.101 0.000) 4.863 13.487 ( 2.613 4.101 0.000) 4.863 14.420 ( -8.443 -9.565 0.000) 12.758 14.420 ( 8.443 -9.565 0.000) 12.758 14.844 ( -8.221 9.141 0.000) 12.294 14.844 ( 8.221 9.141 0.000) 12.294 15.798 ( -0.281 -0.553 0.000) 0.621 15.798 ( 0.281 -0.553 0.000) 0.621 15.986 ( -10.183 -4.203 0.000) 11.017 15.986 ( 10.183 -4.203 0.000) 11.017 16.841 ( -34.390 9.979 0.000) 35.809 16.841 ( 34.390 9.979 0.000) 35.809 17.113 ( -26.886 3.881 0.000) 27.165 17.113 ( 26.887 3.881 0.000) 27.165 18.915 ( -7.501 -9.094 0.000) 11.788 18.915 ( 7.501 -9.094 0.000) 11.788 19.003 ( -6.355 1.074 0.000) 6.445 19.003 ( 6.355 1.074 0.000) 6.445 19.881 ( -2.416 2.916 0.000) 3.787 19.881 ( 2.416 2.916 0.000) 3.787 22.967 ( -1.241 -15.053 0.000) 15.104 22.967 ( 1.241 -15.053 0.000) 15.104 23.164 ( -11.959 -6.162 0.000) 13.453 23.164 ( 11.959 -6.162 0.000) 13.453 23.665 ( -4.988 9.991 0.000) 11.167 23.665 ( 4.988 9.991 0.000) 11.167 25.017 ( -6.873 -8.338 0.000) 10.806 25.017 ( 6.873 -8.338 0.000) 10.806 25.866 ( -1.394 24.536 0.000) 24.575 25.866 ( 1.394 24.536 0.000) 24.575 26.959 ( -4.775 -7.122 0.000) 8.575 26.959 ( 4.775 -7.122 0.000) 8.575 27.247 ( -1.539 3.754 0.000) 4.058 27.247 ( 1.539 3.754 0.000) 4.058 28.718 ( -8.064 6.232 0.000) 10.192 28.718 ( 8.064 6.232 0.000) 10.192 29.262 ( -5.830 -3.220 0.000) 6.660 29.262 ( 5.830 -3.220 0.000) 6.660 29.383 ( -1.063 -5.509 0.000) 5.611 29.383 ( 1.063 -5.509 0.000) 5.611 31.660 ( -0.490 -0.790 0.000) 0.930 31.660 ( 0.490 -0.790 0.000) 0.930 32.364 ( -3.539 0.469 0.000) 3.570 32.364 ( 3.539 0.469 0.000) 3.570 33.436 ( -3.202 -0.158 0.000) 3.206 33.436 ( 3.202 -0.158 0.000) 3.206 35.344 ( -5.451 -0.439 0.000) 5.469 35.344 ( 5.451 -0.439 0.000) 5.469 37.064 ( -1.160 -0.327 0.000) 1.205 37.064 ( 1.160 -0.327 0.000) 1.205 39.253 ( -36.348 5.117 0.000) 36.706 39.253 ( 36.348 5.117 0.000) 36.706 39.885 ( -29.800 -6.488 0.000) 30.498 39.885 ( 29.800 -6.488 0.000) 30.498 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 18.428 0.000) 18.428 0.839 ( 0.000 15.796 0.000) 15.796 1.057 ( 0.000 -2.532 0.000) 2.532 1.172 ( 0.000 -15.627 0.000) 15.627 1.272 ( 0.000 4.284 0.000) 4.284 1.340 ( 0.000 -1.915 0.000) 1.915 1.611 ( 0.000 2.015 0.000) 2.015 1.643 ( 0.000 -0.127 0.000) 0.127 1.668 ( 0.000 1.648 0.000) 1.648 1.704 ( 0.000 -1.762 0.000) 1.762 1.760 ( 0.000 2.477 0.000) 2.477 1.844 ( 0.000 -5.438 0.000) 5.438 1.929 ( 0.000 4.602 0.000) 4.602 1.969 ( 0.000 -0.013 0.000) 0.013 1.989 ( 0.000 4.655 0.000) 4.655 2.048 ( 0.000 1.357 0.000) 1.357 2.053 ( 0.000 0.365 0.000) 0.365 2.062 ( 0.000 -2.559 0.000) 2.559 3.943 ( 0.000 7.819 0.000) 7.819 4.121 ( 0.000 3.840 0.000) 3.840 4.133 ( 0.000 -9.880 0.000) 9.880 4.200 ( 0.000 -3.639 0.000) 3.639 4.414 ( 0.000 20.842 0.000) 20.842 4.895 ( 0.000 -20.367 0.000) 20.367 5.025 ( 0.000 4.399 0.000) 4.399 5.116 ( 0.000 -7.883 0.000) 7.883 5.296 ( 0.000 0.425 0.000) 0.425 5.305 ( 0.000 -0.375 0.000) 0.375 6.927 ( 0.000 6.715 0.000) 6.715 7.074 ( 0.000 -7.178 0.000) 7.178 8.051 ( 0.000 10.248 0.000) 10.248 8.265 ( 0.000 -8.374 0.000) 8.374 8.373 ( 0.000 1.424 0.000) 1.424 8.449 ( 0.000 -3.900 0.000) 3.900 10.548 ( 0.000 14.670 0.000) 14.670 10.828 ( 0.000 -12.253 0.000) 12.253 12.921 ( 0.000 2.693 0.000) 2.693 12.977 ( 0.000 -2.662 0.000) 2.662 13.261 ( 0.000 10.550 0.000) 10.550 13.463 ( 0.000 -8.512 0.000) 8.512 13.977 ( 0.000 1.961 0.000) 1.961 14.014 ( 0.000 -1.351 0.000) 1.351 14.967 ( 0.000 32.538 0.000) 32.538 15.051 ( 0.000 9.913 0.000) 9.913 15.319 ( 0.000 -16.193 0.000) 16.193 15.661 ( 0.000 -34.353 0.000) 34.353 17.349 ( 0.000 8.175 0.000) 8.175 17.460 ( 0.000 -0.484 0.000) 0.484 17.850 ( 0.000 20.605 0.000) 20.605 18.225 ( 0.000 -15.719 0.000) 15.719 18.480 ( 0.000 9.894 0.000) 9.894 18.723 ( 0.000 -11.453 0.000) 11.453 18.881 ( 0.000 2.328 0.000) 2.328 18.941 ( 0.000 -3.335 0.000) 3.335 19.870 ( 0.000 4.612 0.000) 4.612 20.043 ( 0.000 -11.186 0.000) 11.186 20.879 ( 0.000 12.745 0.000) 12.745 21.145 ( 0.000 -12.651 0.000) 12.651 23.020 ( 0.000 16.429 0.000) 16.429 23.314 ( 0.000 -11.455 0.000) 11.455 23.938 ( 0.000 0.797 0.000) 0.797 23.957 ( 0.000 -0.983 0.000) 0.983 25.023 ( 0.000 4.909 0.000) 4.909 25.134 ( 0.000 -5.662 0.000) 5.662 26.526 ( 0.000 0.519 0.000) 0.519 26.545 ( 0.000 -1.823 0.000) 1.823 27.361 ( 0.000 9.940 0.000) 9.940 27.538 ( 0.000 -7.309 0.000) 7.309 28.193 ( 0.000 0.448 0.000) 0.448 28.198 ( 0.000 -0.143 0.000) 0.143 28.427 ( 0.000 9.365 0.000) 9.365 28.621 ( 0.000 -9.025 0.000) 9.025 29.056 ( 0.000 12.502 0.000) 12.502 29.341 ( 0.000 -14.525 0.000) 14.525 29.612 ( 0.000 2.797 0.000) 2.797 29.681 ( 0.000 -3.916 0.000) 3.916 31.740 ( 0.000 2.220 0.000) 2.220 31.778 ( 0.000 -1.453 0.000) 1.453 32.658 ( 0.000 10.557 0.000) 10.557 32.886 ( 0.000 -11.619 0.000) 11.619 33.726 ( 0.000 7.899 0.000) 7.899 33.868 ( 0.000 -5.954 0.000) 5.954 34.079 ( 0.000 0.023 0.000) 0.023 34.080 ( 0.000 -0.071 0.000) 0.071 36.264 ( 0.000 5.590 0.000) 5.590 36.382 ( 0.000 -5.610 0.000) 5.610 37.371 ( 0.000 1.498 0.000) 1.498 37.403 ( 0.000 -1.536 0.000) 1.536 41.122 ( 0.000 5.910 0.000) 5.910 41.246 ( 0.000 -5.842 0.000) 5.842 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 7.554 12.899 0.000) 14.948 0.948 ( 9.029 11.906 0.000) 14.942 1.164 ( 7.899 -4.781 0.000) 9.234 1.225 ( 3.223 -9.723 0.000) 10.243 1.335 ( 7.127 4.997 0.000) 8.704 1.405 ( 6.139 -3.276 0.000) 6.959 1.609 ( -0.027 1.733 0.000) 1.734 1.628 ( -0.725 -0.149 0.000) 0.741 1.681 ( -0.683 1.762 0.000) 1.890 1.700 ( 2.186 0.790 0.000) 2.324 1.809 ( 3.062 0.404 0.000) 3.089 1.860 ( 1.197 -4.015 0.000) 4.190 1.922 ( -0.302 4.442 0.000) 4.452 1.954 ( 0.237 0.060 0.000) 0.245 2.023 ( 1.976 2.832 0.000) 3.453 2.026 ( -1.863 0.215 0.000) 1.876 2.028 ( -1.706 1.527 0.000) 2.290 2.077 ( 0.649 -1.724 0.000) 1.842 3.953 ( 1.111 7.186 0.000) 7.272 4.124 ( -0.546 -8.406 0.000) 8.424 4.157 ( 2.172 8.561 0.000) 8.832 4.297 ( 7.826 -5.267 0.000) 9.433 4.503 ( 9.430 14.683 0.000) 17.451 4.895 ( 1.222 -17.762 0.000) 17.804 5.000 ( -2.045 4.600 0.000) 5.034 5.093 ( -2.165 -7.689 0.000) 7.988 5.337 ( 2.684 0.388 0.000) 2.712 5.352 ( 4.203 -1.358 0.000) 4.417 6.850 ( -7.463 6.628 0.000) 9.981 6.988 ( -8.224 -6.456 0.000) 10.455 8.069 ( 1.739 9.345 0.000) 9.505 8.268 ( 0.220 -8.271 0.000) 8.274 8.366 ( -0.669 1.881 0.000) 1.996 8.438 ( -1.011 -3.613 0.000) 3.752 10.527 ( -1.724 13.251 0.000) 13.363 10.783 ( -3.998 -11.265 0.000) 11.954 13.003 ( 7.418 2.519 0.000) 7.834 13.055 ( 7.216 -2.420 0.000) 7.611 13.477 ( 18.554 9.848 0.000) 21.006 13.682 ( 18.780 -9.415 0.000) 21.008 14.165 ( 17.744 3.995 0.000) 18.188 14.229 ( 19.083 -1.556 0.000) 19.146 14.951 ( 2.686 21.954 0.000) 22.118 15.202 ( 10.408 15.865 0.000) 18.974 15.296 ( -0.723 -15.630 0.000) 15.647 15.727 ( 4.721 -30.283 0.000) 30.649 17.117 ( -19.104 12.515 0.000) 22.838 17.247 ( -15.647 1.177 0.000) 15.691 18.002 ( 10.616 15.359 0.000) 18.671 18.290 ( 4.125 -12.677 0.000) 13.331 18.419 ( -6.444 7.793 0.000) 10.112 18.611 ( -10.791 -8.145 0.000) 13.520 19.019 ( 11.474 4.488 0.000) 12.320 19.094 ( 13.643 -3.132 0.000) 13.998 19.439 ( -18.405 15.322 0.000) 23.948 19.727 ( -20.894 -13.321 0.000) 24.779 21.488 ( 37.476 -6.042 0.000) 37.960 21.542 ( 29.061 -8.104 0.000) 30.170 22.994 ( -1.929 15.385 0.000) 15.505 23.278 ( -2.823 -11.673 0.000) 12.009 24.072 ( 10.364 1.479 0.000) 10.469 24.096 ( 10.918 -0.771 0.000) 10.946 24.935 ( -8.045 3.760 0.000) 8.880 25.019 ( -10.195 -4.271 0.000) 11.054 26.449 ( -6.476 2.839 0.000) 7.071 26.482 ( -5.481 -1.172 0.000) 5.605 27.228 ( -10.956 8.621 0.000) 13.941 27.391 ( -12.011 -7.012 0.000) 13.908 28.073 ( -22.989 7.262 0.000) 24.109 28.105 ( -23.392 4.583 0.000) 23.837 28.312 ( 9.334 4.161 0.000) 10.220 28.477 ( 3.471 -9.986 0.000) 10.573 29.162 ( 6.068 7.917 0.000) 9.975 29.314 ( -1.255 -4.891 0.000) 5.049 29.549 ( -9.726 1.915 0.000) 9.913 29.564 ( -4.466 0.382 0.000) 4.483 31.700 ( -2.486 2.223 0.000) 3.336 31.744 ( -2.695 -1.811 0.000) 3.247 32.536 ( -7.222 10.781 0.000) 12.976 32.766 ( -9.629 -11.462 0.000) 14.970 33.628 ( -6.954 7.341 0.000) 10.112 33.761 ( -7.970 -5.566 0.000) 9.721 34.287 ( 17.820 2.709 0.000) 18.024 34.379 ( 22.134 -6.803 0.000) 23.156 36.722 ( 38.726 9.801 0.000) 39.947 36.989 ( 46.760 -17.468 0.000) 49.916 37.337 ( -2.901 1.208 0.000) 3.142 37.365 ( -3.551 -1.384 0.000) 3.811 40.985 ( -12.455 7.555 0.000) 14.567 41.130 ( -10.878 -6.551 0.000) 12.698 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 9.834 8.243 0.000) 12.832 1.137 ( 8.820 6.226 0.000) 10.797 1.286 ( 3.005 -4.720 0.000) 5.596 1.289 ( 4.469 -4.769 0.000) 6.536 1.502 ( 4.915 -0.005 0.000) 4.915 1.523 ( 3.845 -1.538 0.000) 4.141 1.613 ( 0.493 -0.194 0.000) 0.530 1.621 ( 0.130 -1.252 0.000) 1.259 1.726 ( 5.151 3.632 0.000) 6.302 1.745 ( 1.892 0.833 0.000) 2.068 1.841 ( -0.167 0.797 0.000) 0.815 1.865 ( -0.557 -0.584 0.000) 0.807 1.954 ( 2.771 6.412 0.000) 6.985 1.973 ( -1.939 0.978 0.000) 2.172 1.989 ( 0.038 -1.076 0.000) 1.076 2.018 ( 2.665 -0.129 0.000) 2.668 2.070 ( 3.712 -0.151 0.000) 3.715 2.080 ( -0.440 -0.359 0.000) 0.567 3.993 ( 2.724 5.803 0.000) 6.411 4.118 ( 0.303 -3.714 0.000) 3.727 4.193 ( 1.317 7.304 0.000) 7.422 4.411 ( 1.059 -10.489 0.000) 10.543 4.774 ( 12.779 10.011 0.000) 16.233 4.979 ( 3.204 3.440 0.000) 4.701 5.029 ( 2.359 -1.581 0.000) 2.840 5.033 ( 7.178 -14.692 0.000) 16.352 5.398 ( 3.112 1.355 0.000) 3.395 5.432 ( 3.302 -2.088 0.000) 3.907 6.624 ( -14.085 6.361 0.000) 15.454 6.743 ( -15.005 -4.893 0.000) 15.782 8.116 ( 2.536 6.717 0.000) 7.180 8.268 ( -0.402 -7.374 0.000) 7.385 8.351 ( -0.558 2.542 0.000) 2.603 8.411 ( -1.504 -2.782 0.000) 3.163 10.491 ( -1.474 9.625 0.000) 9.737 10.682 ( -5.282 -8.679 0.000) 10.160 13.203 ( 11.178 2.825 0.000) 11.529 13.254 ( 11.268 -1.978 0.000) 11.440 13.883 ( 17.496 7.465 0.000) 19.021 14.077 ( 15.764 -10.556 0.000) 18.972 14.658 ( 26.242 5.140 0.000) 26.741 14.678 ( 19.593 6.829 0.000) 20.749 15.154 ( 18.487 9.059 0.000) 20.587 15.354 ( 7.978 -9.926 0.000) 12.735 15.433 ( 11.839 10.132 0.000) 15.583 15.801 ( 2.020 -22.702 0.000) 22.792 16.725 ( -15.243 18.177 0.000) 23.722 16.931 ( -12.789 -1.117 0.000) 12.838 18.135 ( -12.414 14.588 0.000) 19.155 18.182 ( -17.943 3.151 0.000) 18.217 18.286 ( 7.658 -2.121 0.000) 7.946 18.494 ( 4.762 -13.810 0.000) 14.608 19.129 ( -2.151 6.903 0.000) 7.230 19.306 ( -6.554 -9.292 0.000) 11.371 19.462 ( 16.291 4.418 0.000) 16.879 19.510 ( 12.208 -1.219 0.000) 12.269 22.134 ( 25.949 -6.632 0.000) 26.783 22.149 ( 25.704 -10.407 0.000) 27.731 22.966 ( -0.371 12.394 0.000) 12.400 23.216 ( -2.966 -11.475 0.000) 11.852 24.198 ( -2.712 3.697 0.000) 4.585 24.219 ( -4.703 1.325 0.000) 4.886 24.778 ( -3.030 1.410 0.000) 3.342 24.837 ( -2.397 -4.203 0.000) 4.839 26.327 ( -3.706 7.861 0.000) 8.690 26.366 ( -4.413 3.413 0.000) 5.579 26.983 ( -11.388 5.161 0.000) 12.504 27.118 ( -12.980 -6.946 0.000) 14.721 27.600 ( -17.056 6.722 0.000) 18.333 27.654 ( -17.751 1.207 0.000) 17.792 28.527 ( 10.329 6.752 0.000) 12.340 28.681 ( 11.952 -7.875 0.000) 14.313 29.248 ( 2.409 2.434 0.000) 3.425 29.293 ( -3.444 5.674 0.000) 6.637 29.337 ( -8.008 -1.552 0.000) 8.157 29.443 ( -6.790 -4.567 0.000) 8.183 31.662 ( -1.176 0.885 0.000) 1.472 31.690 ( -2.139 -1.595 0.000) 2.668 32.423 ( -3.817 6.454 0.000) 7.498 32.567 ( -8.494 -7.331 0.000) 11.220 33.504 ( -4.639 5.164 0.000) 6.942 33.602 ( -6.767 -4.310 0.000) 8.023 34.721 ( 22.137 4.506 0.000) 22.591 34.844 ( 21.348 -7.433 0.000) 22.605 37.232 ( -5.681 1.093 0.000) 5.785 37.256 ( -5.787 -1.182 0.000) 5.906 37.652 ( 46.796 13.276 0.000) 48.643 37.993 ( 46.183 -20.399 0.000) 50.488 40.638 ( -20.670 8.829 0.000) 22.476 40.810 ( -19.776 -7.730 0.000) 21.233 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 5.887 3.853 0.000) 7.036 1.294 ( 5.873 2.061 0.000) 6.224 1.346 ( 2.417 -2.379 0.000) 3.391 1.354 ( 1.607 -1.913 0.000) 2.498 1.548 ( 1.113 0.962 0.000) 1.471 1.568 ( 0.975 -0.309 0.000) 1.022 1.635 ( 1.173 -1.124 0.000) 1.624 1.637 ( 1.731 -1.248 0.000) 2.134 1.768 ( 0.440 0.369 0.000) 0.575 1.777 ( -0.556 -0.246 0.000) 0.608 1.854 ( 1.465 1.219 0.000) 1.906 1.856 ( -0.257 0.641 0.000) 0.690 1.925 ( -2.195 1.412 0.000) 2.610 1.927 ( -1.856 1.376 0.000) 2.310 2.035 ( -0.251 1.731 0.000) 1.750 2.055 ( -1.040 -0.149 0.000) 1.050 2.123 ( 7.086 3.367 0.000) 7.845 2.179 ( 4.676 -1.995 0.000) 5.084 4.062 ( 3.696 3.852 0.000) 5.339 4.139 ( 1.304 -3.308 0.000) 3.555 4.213 ( 0.927 4.369 0.000) 4.466 4.360 ( -4.521 -9.120 0.000) 10.179 4.854 ( 0.087 4.844 0.000) 4.845 4.947 ( -4.016 -4.152 0.000) 5.777 5.254 ( 15.320 4.285 0.000) 15.908 5.339 ( 9.374 -3.764 0.000) 10.101 5.516 ( 7.352 -0.351 0.000) 7.361 5.518 ( 13.481 -0.537 0.000) 13.492 6.279 ( -18.787 5.993 0.000) 19.720 6.382 ( -19.504 -3.766 0.000) 19.864 8.168 ( 2.364 3.296 0.000) 4.056 8.249 ( -1.413 -4.389 0.000) 4.611 8.347 ( 0.146 1.682 0.000) 1.688 8.381 ( -1.376 -1.513 0.000) 2.045 10.477 ( 0.252 4.837 0.000) 4.843 10.579 ( -4.474 -4.891 0.000) 6.629 13.433 ( 10.016 3.503 0.000) 10.611 13.478 ( 8.928 -0.484 0.000) 8.941 14.152 ( 8.913 2.812 0.000) 9.346 14.278 ( 4.034 -9.029 0.000) 9.889 14.919 ( 5.118 11.355 0.000) 12.455 15.007 ( 5.151 2.102 0.000) 5.563 15.617 ( 18.779 0.378 0.000) 18.783 15.644 ( 14.948 -2.265 0.000) 15.119 15.699 ( 13.133 0.797 0.000) 13.157 15.848 ( 4.016 -12.983 0.000) 13.590 16.616 ( 8.107 16.954 0.000) 18.792 16.817 ( 4.698 -1.641 0.000) 4.977 17.685 ( -26.967 7.692 0.000) 28.043 17.727 ( -24.962 2.483 0.000) 25.085 18.535 ( 12.218 -2.354 0.000) 12.443 18.641 ( 7.480 -10.833 0.000) 13.164 19.066 ( -3.629 2.730 0.000) 4.541 19.135 ( -7.190 -3.576 0.000) 8.031 19.793 ( 12.932 3.343 0.000) 13.358 19.816 ( 11.944 0.713 0.000) 11.965 22.551 ( 13.108 -8.652 0.000) 15.706 22.557 ( 13.898 -8.285 0.000) 16.180 22.992 ( 3.138 6.855 0.000) 7.539 23.160 ( -2.577 -9.252 0.000) 9.604 23.958 ( -13.934 5.354 0.000) 14.927 23.989 ( -12.556 2.619 0.000) 12.826 24.830 ( 4.973 0.762 0.000) 5.031 24.894 ( 3.536 -5.585 0.000) 6.610 26.304 ( 0.526 13.112 0.000) 13.123 26.321 ( -0.409 12.699 0.000) 12.706 26.802 ( -5.185 -2.517 0.000) 5.763 26.893 ( -8.301 -9.478 0.000) 12.599 27.368 ( -6.399 3.356 0.000) 7.226 27.393 ( -7.867 0.982 0.000) 7.928 28.723 ( 8.590 9.670 0.000) 12.934 28.921 ( 10.806 -7.904 0.000) 13.388 29.091 ( -10.373 8.119 0.000) 13.173 29.272 ( -1.288 -4.963 0.000) 5.128 29.300 ( -5.370 -4.525 0.000) 7.022 29.306 ( -0.348 -2.311 0.000) 2.337 31.647 ( -0.384 0.007 0.000) 0.384 31.658 ( -1.031 -0.966 0.000) 1.413 32.372 ( -1.219 2.923 0.000) 3.167 32.432 ( -4.571 -2.816 0.000) 5.369 33.438 ( -1.712 2.445 0.000) 2.984 33.489 ( -4.132 -2.379 0.000) 4.768 35.135 ( 16.277 3.156 0.000) 16.580 35.213 ( 13.098 -4.366 0.000) 13.807 37.113 ( -5.097 0.636 0.000) 5.136 37.129 ( -5.661 -0.882 0.000) 5.729 38.596 ( 43.238 12.219 0.000) 44.931 38.882 ( 39.519 -15.321 0.000) 42.385 40.134 ( -27.888 9.200 0.000) 29.366 40.322 ( -27.092 -8.825 0.000) 28.493 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -1.143 0.584 0.000) 1.284 1.354 ( 1.143 0.584 0.000) 1.284 1.367 ( -0.688 -0.734 0.000) 1.006 1.367 ( 0.688 -0.734 0.000) 1.006 1.569 ( -0.749 0.704 0.000) 1.027 1.569 ( 0.749 0.704 0.000) 1.027 1.658 ( -0.384 -0.860 0.000) 0.942 1.658 ( 0.384 -0.860 0.000) 0.942 1.769 ( -0.197 0.266 0.000) 0.331 1.769 ( 0.197 0.266 0.000) 0.331 1.858 ( -0.718 -0.124 0.000) 0.729 1.858 ( 0.718 -0.124 0.000) 0.729 1.904 ( -0.354 1.995 0.000) 2.026 1.904 ( 0.354 1.995 0.000) 2.026 2.034 ( -0.488 0.959 0.000) 1.076 2.034 ( 0.488 0.959 0.000) 1.076 2.218 ( -1.363 0.216 0.000) 1.380 2.218 ( 1.363 0.216 0.000) 1.380 4.131 ( -2.410 0.709 0.000) 2.512 4.131 ( 2.410 0.709 0.000) 2.512 4.264 ( -4.138 -2.898 0.000) 5.052 4.264 ( 4.138 -2.898 0.000) 5.052 4.877 ( -2.414 -0.054 0.000) 2.414 4.877 ( 2.414 -0.054 0.000) 2.414 5.394 ( -0.892 0.216 0.000) 0.917 5.394 ( 0.892 0.216 0.000) 0.917 5.814 ( -10.825 2.109 0.000) 11.028 5.814 ( 10.825 2.109 0.000) 11.028 5.978 ( -12.083 -0.627 0.000) 12.099 5.978 ( 12.083 -0.627 0.000) 12.099 8.213 ( -1.992 -0.478 0.000) 2.049 8.213 ( 1.992 -0.478 0.000) 2.049 8.357 ( -0.835 0.038 0.000) 0.836 8.357 ( 0.836 0.038 0.000) 0.836 10.505 ( -2.518 -0.227 0.000) 2.528 10.505 ( 2.518 -0.227 0.000) 2.528 13.564 ( -1.440 2.471 0.000) 2.860 13.564 ( 1.440 2.471 0.000) 2.860 14.277 ( -3.405 -3.844 0.000) 5.135 14.277 ( 3.405 -3.844 0.000) 5.135 14.991 ( -3.252 4.456 0.000) 5.516 14.991 ( 3.252 4.456 0.000) 5.516 15.800 ( -1.092 1.000 0.000) 1.480 15.800 ( 1.092 1.000 0.000) 1.480 15.875 ( -4.458 -5.078 0.000) 6.757 15.875 ( 4.458 -5.078 0.000) 6.757 17.042 ( -20.566 6.228 0.000) 21.488 17.042 ( 20.566 6.228 0.000) 21.488 17.203 ( -16.459 4.295 0.000) 17.010 17.203 ( 16.459 4.295 0.000) 17.010 18.715 ( -2.958 -7.471 0.000) 8.036 18.715 ( 2.959 -7.471 0.000) 8.036 19.026 ( -1.926 0.792 0.000) 2.082 19.026 ( 1.926 0.792 0.000) 2.082 19.939 ( -0.568 2.025 0.000) 2.103 19.939 ( 0.568 2.025 0.000) 2.103 22.692 ( -0.517 -8.554 0.000) 8.570 22.692 ( 0.517 -8.554 0.000) 8.570 23.086 ( -4.910 -1.824 0.000) 5.238 23.086 ( 4.910 -1.824 0.000) 5.238 23.818 ( -1.766 4.227 0.000) 4.581 23.818 ( 1.766 4.227 0.000) 4.581 24.910 ( -2.004 -2.485 0.000) 3.193 24.910 ( 2.004 -2.485 0.000) 3.193 26.317 ( -0.421 16.933 0.000) 16.938 26.317 ( 0.421 16.933 0.000) 16.938 26.779 ( -2.586 -9.399 0.000) 9.749 26.779 ( 2.586 -9.399 0.000) 9.749 27.309 ( -0.539 1.882 0.000) 1.957 27.309 ( 0.539 1.882 0.000) 1.957 28.895 ( -8.500 10.559 0.000) 13.555 28.895 ( 8.500 10.559 0.000) 13.555 29.125 ( -8.731 -10.083 0.000) 13.338 29.125 ( 8.731 -10.083 0.000) 13.338 29.295 ( -0.646 -2.033 0.000) 2.133 29.295 ( 0.646 -2.033 0.000) 2.133 31.645 ( -0.235 -0.475 0.000) 0.530 31.645 ( 0.235 -0.475 0.000) 0.530 32.372 ( -1.330 0.271 0.000) 1.357 32.372 ( 1.330 0.271 0.000) 1.357 33.433 ( -1.228 -0.097 0.000) 1.231 33.433 ( 1.228 -0.097 0.000) 1.231 35.336 ( -2.062 -0.270 0.000) 2.079 35.336 ( 2.062 -0.270 0.000) 2.079 37.058 ( -0.456 -0.198 0.000) 0.497 37.058 ( 0.456 -0.198 0.000) 0.497 39.381 ( -24.251 5.892 0.000) 24.957 39.381 ( 24.251 5.892 0.000) 24.957 39.732 ( -21.855 -6.718 0.000) 22.864 39.732 ( 21.855 -6.718 0.000) 22.864 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 0.000 0.000 18.873) 18.873 0.463 ( 0.000 0.000 22.215) 22.215 0.687 ( 0.000 0.000 33.111) 33.111 1.375 ( 0.000 0.000 -0.994) 0.994 1.402 ( 0.000 0.000 -0.508) 0.508 1.482 ( 0.000 0.000 -0.623) 0.623 1.564 ( 0.000 0.000 -6.561) 6.561 1.607 ( 0.000 0.000 -1.960) 1.960 1.652 ( 0.000 0.000 0.214) 0.214 1.680 ( 0.000 0.000 -1.220) 1.220 1.749 ( 0.000 0.000 2.353) 2.353 1.766 ( 0.000 0.000 0.914) 0.914 1.791 ( 0.000 0.000 -0.027) 0.027 1.918 ( 0.000 0.000 -1.886) 1.886 1.985 ( 0.000 0.000 1.398) 1.398 1.998 ( 0.000 0.000 -0.701) 0.701 2.076 ( 0.000 0.000 1.173) 1.173 2.086 ( 0.000 0.000 -2.030) 2.030 3.748 ( 0.000 0.000 -0.149) 0.149 4.026 ( 0.000 0.000 -9.320) 9.320 4.038 ( 0.000 0.000 0.770) 0.770 4.279 ( 0.000 0.000 -0.144) 0.144 4.596 ( 0.000 0.000 1.633) 1.633 4.779 ( 0.000 0.000 2.572) 2.572 5.045 ( 0.000 0.000 -0.686) 0.686 5.285 ( 0.000 0.000 -0.052) 0.052 5.317 ( 0.000 0.000 0.381) 0.381 5.638 ( 0.000 0.000 -0.299) 0.299 6.777 ( 0.000 0.000 -0.035) 0.035 7.247 ( 0.000 0.000 -0.079) 0.079 7.756 ( 0.000 0.000 -0.866) 0.866 8.241 ( 0.000 0.000 0.745) 0.745 8.535 ( 0.000 0.000 -0.180) 0.180 8.621 ( 0.000 0.000 0.185) 0.185 10.142 ( 0.000 0.000 -0.870) 0.870 11.100 ( 0.000 0.000 0.362) 0.362 12.849 ( 0.000 0.000 -0.725) 0.725 13.004 ( 0.000 0.000 0.710) 0.710 13.073 ( 0.000 0.000 3.147) 3.147 13.606 ( 0.000 0.000 -0.324) 0.324 13.848 ( 0.000 0.000 -7.920) 7.920 13.966 ( 0.000 0.000 9.871) 9.871 14.065 ( 0.000 0.000 1.817) 1.817 14.890 ( 0.000 0.000 1.979) 1.979 15.802 ( 0.000 0.000 -23.703) 23.703 15.902 ( 0.000 0.000 1.677) 1.677 16.904 ( 0.000 0.000 -0.187) 0.187 17.075 ( 0.000 0.000 9.366) 9.366 17.204 ( 0.000 0.000 0.072) 0.072 18.236 ( 0.000 0.000 -2.618) 2.618 18.492 ( 0.000 0.000 -5.660) 5.660 18.854 ( 0.000 0.000 1.197) 1.197 19.016 ( 0.000 0.000 10.247) 10.247 19.084 ( 0.000 0.000 4.463) 4.463 20.098 ( 0.000 0.000 3.501) 3.501 20.590 ( 0.000 0.000 1.368) 1.368 21.409 ( 0.000 0.000 -1.341) 1.341 21.434 ( 0.000 0.000 -0.912) 0.912 22.535 ( 0.000 0.000 -2.511) 2.511 23.446 ( 0.000 0.000 -4.644) 4.644 23.880 ( 0.000 0.000 -1.746) 1.746 23.924 ( 0.000 0.000 0.290) 0.290 23.980 ( 0.000 0.000 -0.328) 0.328 25.148 ( 0.000 0.000 19.603) 19.603 25.499 ( 0.000 0.000 -16.716) 16.716 26.742 ( 0.000 0.000 1.600) 1.600 27.199 ( 0.000 0.000 1.017) 1.017 27.930 ( 0.000 0.000 20.718) 20.718 28.130 ( 0.000 0.000 -0.283) 0.283 28.197 ( 0.000 0.000 -0.328) 0.328 28.251 ( 0.000 0.000 0.388) 0.388 28.633 ( 0.000 0.000 -15.563) 15.563 28.827 ( 0.000 0.000 0.090) 0.090 29.413 ( 0.000 0.000 -8.991) 8.991 29.716 ( 0.000 0.000 0.002) 0.002 30.232 ( 0.000 0.000 1.401) 1.401 31.708 ( 0.000 0.000 3.262) 3.262 32.166 ( 0.000 0.000 -3.107) 3.107 32.249 ( 0.000 0.000 -1.883) 1.883 33.383 ( 0.000 0.000 4.584) 4.584 33.487 ( 0.000 0.000 -0.662) 0.662 34.004 ( 0.000 0.000 0.661) 0.661 34.084 ( 0.000 0.000 0.291) 0.291 34.087 ( 0.000 0.000 0.555) 0.555 36.135 ( 0.000 0.000 0.204) 0.204 36.513 ( 0.000 0.000 -0.060) 0.060 37.347 ( 0.000 0.000 0.990) 0.990 37.794 ( 0.000 0.000 0.373) 0.373 40.732 ( 0.000 0.000 0.104) 0.104 41.447 ( 0.000 0.000 0.026) 0.026 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 15.119 0.000 13.674) 20.385 0.642 ( 14.437 0.000 14.724) 20.621 0.997 ( 25.467 0.000 18.080) 31.232 1.391 ( 1.529 0.000 -0.826) 1.738 1.398 ( -0.349 0.000 -0.576) 0.673 1.523 ( 3.706 0.000 -0.743) 3.780 1.549 ( -2.733 0.000 0.346) 2.755 1.587 ( 1.374 0.000 -5.548) 5.716 1.645 ( -1.733 0.000 -1.592) 2.353 1.681 ( 0.164 0.000 -1.403) 1.413 1.768 ( 1.379 0.000 1.938) 2.379 1.796 ( 2.990 0.000 0.756) 3.084 1.839 ( 2.292 0.000 -0.071) 2.293 1.915 ( -0.403 0.000 -2.118) 2.156 1.969 ( -1.316 0.000 0.636) 1.461 2.001 ( 0.725 0.000 -0.475) 0.866 2.074 ( 0.449 0.000 1.453) 1.521 2.089 ( -0.033 0.000 -0.516) 0.517 3.798 ( 4.779 0.000 -0.152) 4.782 3.869 ( -3.780 0.000 1.141) 3.948 4.201 ( 8.864 0.000 -3.410) 9.497 4.404 ( 10.972 0.000 -0.283) 10.975 4.607 ( 1.155 0.000 1.595) 1.969 4.749 ( -1.387 0.000 1.724) 2.212 5.033 ( -0.808 0.000 -0.519) 0.960 5.332 ( 1.532 0.000 0.204) 1.546 5.418 ( 5.615 0.000 -5.658) 7.971 5.578 ( -5.558 0.000 -0.259) 5.564 6.692 ( -8.112 0.000 0.012) 8.112 7.115 ( -11.319 0.000 0.013) 11.319 7.832 ( 6.021 0.000 -0.850) 6.081 8.243 ( 0.679 0.000 1.208) 1.386 8.517 ( -1.657 0.000 -0.182) 1.667 8.583 ( -3.451 0.000 0.148) 3.454 10.165 ( 2.452 0.000 -0.502) 2.503 11.032 ( -5.936 0.000 0.177) 5.939 12.939 ( 7.820 0.000 -0.461) 7.834 13.126 ( 4.800 0.000 2.158) 5.263 13.260 ( 22.664 0.000 0.100) 22.665 13.870 ( 24.393 0.000 0.227) 24.394 14.007 ( 11.754 0.000 -6.863) 13.611 14.010 ( 4.267 0.000 9.539) 10.450 14.472 ( 29.517 0.000 -9.926) 31.141 15.020 ( 11.988 0.000 1.446) 12.075 15.727 ( -5.311 0.000 -17.729) 18.507 15.913 ( -0.484 0.000 -1.926) 1.986 16.689 ( -13.049 0.000 1.950) 13.194 16.932 ( -12.123 0.000 5.597) 13.353 17.434 ( 14.721 0.000 -0.662) 14.736 18.172 ( -6.224 0.000 -3.027) 6.921 18.720 ( 19.603 0.000 -2.535) 19.766 18.826 ( -2.327 0.000 6.806) 7.193 19.039 ( -7.993 0.000 16.600) 18.424 19.174 ( -22.120 0.000 29.692) 37.026 19.212 ( 11.706 0.000 3.566) 12.237 20.118 ( -23.998 0.000 4.945) 24.502 21.790 ( 27.214 0.000 -0.924) 27.229 22.439 ( 23.000 0.000 -25.861) 34.609 22.598 ( 13.518 0.000 -11.928) 18.029 23.444 ( -0.199 0.000 -4.366) 4.371 23.857 ( -2.284 0.000 -0.824) 2.428 24.078 ( 7.720 0.000 -1.797) 7.926 24.424 ( 33.206 0.000 -22.716) 40.232 25.096 ( -4.491 0.000 18.251) 18.796 25.366 ( -9.954 0.000 -14.272) 17.400 26.587 ( -14.959 0.000 2.397) 15.150 27.167 ( -2.379 0.000 -2.075) 3.157 27.573 ( -25.441 0.000 18.485) 31.448 27.869 ( -18.012 0.000 -1.452) 18.071 28.094 ( -14.932 0.000 18.605) 23.857 28.310 ( 6.357 0.000 4.240) 7.641 28.785 ( 8.979 0.000 -10.087) 13.504 28.959 ( 11.252 0.000 -1.467) 11.347 29.257 ( -30.244 0.000 28.690) 41.687 29.383 ( -2.973 0.000 -9.279) 9.743 29.720 ( -8.263 0.000 7.470) 11.138 31.701 ( -0.482 0.000 2.900) 2.940 31.880 ( -8.395 0.000 6.816) 10.814 32.252 ( 0.311 0.000 -1.686) 1.714 33.171 ( -17.240 0.000 4.261) 17.759 33.380 ( -1.833 0.000 1.637) 2.457 33.875 ( -9.165 0.000 -0.382) 9.172 34.250 ( 14.751 0.000 0.540) 14.761 34.622 ( 23.249 0.000 -9.784) 25.224 36.525 ( 33.990 0.000 0.188) 33.990 37.192 ( 19.968 0.000 -15.408) 25.222 37.316 ( -2.674 0.000 0.535) 2.727 37.979 ( 22.458 0.000 -14.058) 26.494 40.643 ( -8.743 0.000 0.053) 8.743 41.310 ( -11.560 0.000 1.371) 11.641 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 15.082 0.000 7.716) 16.942 0.965 ( 15.447 0.000 7.434) 17.143 1.382 ( 0.482 0.000 -1.144) 1.242 1.432 ( 2.157 0.000 -0.355) 2.186 1.465 ( 6.376 0.000 0.248) 6.381 1.549 ( 5.189 0.000 4.204) 6.678 1.582 ( 3.570 0.000 -1.633) 3.925 1.616 ( 4.694 0.000 -0.800) 4.762 1.662 ( 3.832 0.000 -0.557) 3.872 1.689 ( 0.665 0.000 -1.621) 1.752 1.791 ( 0.637 0.000 1.013) 1.196 1.827 ( 1.255 0.000 0.494) 1.349 1.852 ( -1.619 0.000 0.956) 1.880 1.897 ( -1.386 0.000 -1.493) 2.037 1.943 ( -0.912 0.000 -0.562) 1.071 2.020 ( 0.834 0.000 -0.876) 1.210 2.075 ( -1.431 0.000 1.010) 1.752 2.137 ( 5.431 0.000 1.354) 5.597 3.866 ( 2.644 0.000 -0.804) 2.764 3.942 ( 8.956 0.000 -0.150) 8.958 4.336 ( 1.161 0.000 -0.117) 1.167 4.617 ( 5.093 0.000 -0.747) 5.148 4.659 ( 4.266 0.000 1.284) 4.455 4.810 ( 9.859 0.000 -0.695) 9.883 5.059 ( 4.804 0.000 0.275) 4.812 5.368 ( 1.700 0.000 0.296) 1.725 5.443 ( -5.392 0.000 -0.151) 5.394 5.484 ( 1.660 0.000 -3.281) 3.677 6.452 ( -14.653 0.000 0.005) 14.653 6.821 ( -16.578 0.000 0.240) 16.579 7.966 ( 6.580 0.000 -0.792) 6.627 8.269 ( 1.650 0.000 0.777) 1.824 8.471 ( -2.641 0.000 -0.161) 2.646 8.488 ( -5.533 0.000 0.027) 5.533 10.242 ( 4.836 0.000 -0.306) 4.846 10.878 ( -8.470 0.000 0.034) 8.470 13.132 ( 9.863 0.000 0.198) 9.865 13.258 ( 7.404 0.000 -0.218) 7.408 13.821 ( 28.227 0.000 -2.442) 28.332 14.147 ( 9.075 0.000 8.377) 12.351 14.290 ( 14.055 0.000 -6.030) 15.294 14.494 ( 30.540 0.000 1.061) 30.558 15.120 ( 32.708 0.000 -3.590) 32.904 15.358 ( 20.478 0.000 0.271) 20.480 15.650 ( 0.105 0.000 -11.265) 11.266 15.868 ( -3.402 0.000 -1.367) 3.667 16.450 ( -10.102 0.000 1.878) 10.275 16.648 ( -13.513 0.000 -0.638) 13.528 17.640 ( 1.196 0.000 -0.127) 1.203 17.965 ( -14.148 0.000 -3.603) 14.600 18.692 ( -3.569 0.000 18.414) 18.756 18.901 ( 2.633 0.000 10.278) 10.610 19.179 ( 2.655 0.000 6.472) 6.995 19.198 ( 24.240 0.000 0.500) 24.245 19.515 ( 15.843 0.000 2.171) 15.991 19.641 ( -20.579 0.000 4.724) 21.114 22.383 ( 27.834 0.000 -2.393) 27.937 22.590 ( 5.930 0.000 -3.965) 7.133 22.981 ( 15.046 0.000 -17.949) 23.421 23.439 ( -0.122 0.000 -3.159) 3.162 23.783 ( -4.906 0.000 1.698) 5.191 24.081 ( -12.481 0.000 -4.381) 13.227 24.906 ( 15.280 0.000 -8.291) 17.385 25.002 ( -3.247 0.000 13.747) 14.125 25.316 ( 7.138 0.000 -18.697) 20.013 26.161 ( -24.500 0.000 2.315) 24.609 27.124 ( -1.508 0.000 -4.953) 5.178 27.165 ( -11.779 0.000 14.675) 18.817 27.524 ( -14.276 0.000 -0.987) 14.310 27.746 ( -16.617 0.000 23.290) 28.611 28.436 ( 5.886 0.000 4.988) 7.715 28.970 ( 8.999 0.000 -4.227) 9.942 28.986 ( -5.244 0.000 10.182) 11.453 29.179 ( 8.466 0.000 -3.391) 9.120 29.305 ( -3.377 0.000 -10.473) 11.004 29.582 ( -5.591 0.000 1.216) 5.721 31.691 ( -0.481 0.000 2.196) 2.248 31.771 ( -3.566 0.000 3.559) 5.038 32.264 ( 0.910 0.000 -1.110) 1.436 32.802 ( -16.462 0.000 3.461) 16.822 33.365 ( 0.026 0.000 0.491) 0.492 33.689 ( -8.286 0.000 -0.731) 8.318 34.640 ( 21.317 0.000 0.146) 21.318 35.036 ( 17.201 0.000 -4.339) 17.740 37.216 ( -5.245 0.000 0.727) 5.295 37.274 ( -4.708 0.000 -1.247) 4.870 37.381 ( 45.697 0.000 0.041) 45.697 38.588 ( 32.136 0.000 -13.013) 34.671 40.365 ( -18.179 0.000 -0.060) 18.179 40.992 ( -19.122 0.000 0.413) 19.127 ======================= Grid point 48 (19/60) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 9.487 0.000 3.293) 10.043 1.249 ( 11.394 0.000 3.164) 11.825 1.376 ( -0.831 0.000 -0.603) 1.027 1.463 ( 0.290 0.000 0.186) 0.345 1.492 ( 1.161 0.000 -0.939) 1.493 1.532 ( -1.012 0.000 -0.388) 1.084 1.667 ( 1.541 0.000 -1.113) 1.901 1.697 ( 2.631 0.000 -0.068) 2.632 1.717 ( 2.492 0.000 -1.900) 3.133 1.788 ( 2.665 0.000 -2.072) 3.376 1.789 ( -0.809 0.000 0.132) 0.819 1.794 ( -3.038 0.000 0.638) 3.104 1.855 ( -2.771 0.000 0.189) 2.777 1.894 ( 1.124 0.000 1.836) 2.152 1.941 ( 0.861 0.000 -1.143) 1.431 2.031 ( -2.631 0.000 0.744) 2.734 2.096 ( 8.137 0.000 1.775) 8.328 2.238 ( 3.140 0.000 0.931) 3.275 3.959 ( 6.004 0.000 -0.917) 6.073 4.158 ( 11.585 0.000 -0.211) 11.587 4.258 ( -6.777 0.000 1.022) 6.853 4.597 ( -6.658 0.000 -1.031) 6.737 4.742 ( 5.547 0.000 1.084) 5.652 5.066 ( -7.077 0.000 0.463) 7.092 5.122 ( 17.108 0.000 -1.435) 17.168 5.393 ( 0.458 0.000 0.197) 0.498 5.521 ( 3.153 0.000 -1.631) 3.550 5.565 ( 17.917 0.000 0.355) 17.920 6.103 ( -18.623 0.000 -0.216) 18.624 6.440 ( -20.043 0.000 0.454) 20.048 8.100 ( 6.369 0.000 -0.643) 6.401 8.308 ( 2.119 0.000 0.386) 2.154 8.363 ( -6.307 0.000 -0.174) 6.310 8.413 ( -2.844 0.000 -0.069) 2.845 10.362 ( 6.692 0.000 -0.133) 6.693 10.695 ( -8.953 0.000 0.019) 8.953 13.317 ( 7.552 0.000 -0.461) 7.566 13.395 ( 4.761 0.000 -1.391) 4.960 14.318 ( 18.259 0.000 -5.152) 18.972 14.386 ( 13.755 0.000 6.188) 15.083 14.524 ( 7.289 0.000 -5.989) 9.434 14.847 ( 0.902 0.000 -0.441) 1.004 15.680 ( 19.876 0.000 0.432) 19.880 15.794 ( 3.479 0.000 1.524) 3.798 15.821 ( 4.840 0.000 0.232) 4.846 15.968 ( 37.776 0.000 0.278) 37.777 16.253 ( -9.421 0.000 0.856) 9.460 16.512 ( 7.066 0.000 -8.898) 11.363 17.399 ( -23.247 0.000 2.616) 23.394 17.571 ( -24.095 0.000 -4.707) 24.551 18.777 ( 8.873 0.000 5.757) 10.577 19.004 ( 6.233 0.000 8.392) 10.453 19.172 ( -4.590 0.000 6.830) 8.229 19.313 ( -9.939 0.000 7.345) 12.358 19.643 ( 17.217 0.000 1.456) 17.278 19.795 ( 9.627 0.000 1.557) 9.752 22.754 ( 12.086 0.000 -4.492) 12.894 22.904 ( 19.580 0.000 -4.051) 19.995 23.198 ( 5.341 0.000 -11.906) 13.049 23.452 ( 1.750 0.000 -0.598) 1.850 23.642 ( -24.749 0.000 -4.081) 25.084 23.657 ( -6.886 0.000 3.650) 7.794 25.013 ( 5.208 0.000 7.705) 9.300 25.214 ( 13.843 0.000 -2.804) 14.124 25.459 ( 3.494 0.000 -12.337) 12.822 25.647 ( -23.557 0.000 2.369) 23.676 27.071 ( 1.755 0.000 10.936) 11.076 27.113 ( 0.653 0.000 -4.891) 4.935 27.288 ( -8.604 0.000 -1.423) 8.721 27.434 ( -13.369 0.000 18.248) 22.621 28.557 ( 5.919 0.000 4.605) 7.500 28.856 ( -7.831 0.000 4.282) 8.926 29.146 ( 7.552 0.000 -2.205) 7.867 29.288 ( 1.983 0.000 -3.001) 3.597 29.298 ( 2.708 0.000 -9.300) 9.686 29.480 ( -4.613 0.000 -2.701) 5.346 31.684 ( -0.117 0.000 1.743) 1.747 31.715 ( -1.886 0.000 2.375) 3.033 32.295 ( 2.270 0.000 -0.201) 2.279 32.524 ( -10.243 0.000 2.284) 10.495 33.381 ( 1.628 0.000 0.111) 1.632 33.539 ( -6.130 0.000 -0.501) 6.150 35.066 ( 18.199 0.000 -0.627) 18.210 35.308 ( 8.093 0.000 -2.569) 8.491 37.107 ( -4.432 0.000 0.455) 4.456 37.150 ( -5.958 0.000 -0.186) 5.961 38.333 ( 44.872 0.000 -0.112) 44.872 39.266 ( 32.958 0.000 -5.628) 33.435 39.885 ( -28.294 0.000 -0.156) 28.294 40.523 ( -25.908 0.000 -0.574) 25.915 ======================= Grid point 49 (20/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -3.465 0.000 0.275) 3.476 1.335 ( 3.465 0.000 0.275) 3.476 1.420 ( -4.979 0.000 0.825) 5.047 1.420 ( 4.979 0.000 0.825) 5.047 1.517 ( -0.844 0.000 -0.214) 0.871 1.517 ( 0.844 0.000 -0.214) 0.871 1.718 ( -3.544 0.000 1.028) 3.690 1.718 ( 3.544 0.000 1.028) 3.690 1.742 ( -1.689 0.000 -0.519) 1.767 1.742 ( 1.689 0.000 -0.519) 1.767 1.792 ( -2.617 0.000 0.250) 2.629 1.792 ( 2.617 0.000 0.250) 2.629 1.852 ( -3.304 0.000 -2.058) 3.892 1.852 ( 3.304 0.000 -2.058) 3.892 1.976 ( -2.385 0.000 -0.380) 2.415 1.976 ( 2.385 0.000 -0.380) 2.415 2.237 ( -3.606 0.000 1.472) 3.895 2.237 ( 3.606 0.000 1.472) 3.895 4.103 ( -7.603 0.000 0.203) 7.606 4.103 ( 7.603 0.000 0.203) 7.606 4.401 ( -11.316 0.000 -0.502) 11.327 4.401 ( 11.316 0.000 -0.502) 11.327 4.890 ( -8.418 0.000 0.592) 8.439 4.890 ( 8.418 0.000 0.592) 8.439 5.364 ( -4.596 0.000 -0.681) 4.646 5.364 ( 4.596 0.000 -0.681) 4.646 5.717 ( -16.738 0.000 -0.609) 16.750 5.717 ( 16.738 0.000 -0.609) 16.750 6.001 ( -22.034 0.000 0.538) 22.040 6.001 ( 22.034 0.000 0.538) 22.040 8.231 ( -6.379 0.000 -0.417) 6.392 8.231 ( 6.379 0.000 -0.417) 6.392 8.357 ( -2.554 0.000 0.112) 2.557 8.357 ( 2.554 0.000 0.112) 2.557 10.516 ( -8.159 0.000 -0.023) 8.159 10.516 ( 8.159 0.000 -0.023) 8.159 13.423 ( -2.181 0.000 -1.376) 2.578 13.423 ( 2.181 0.000 -1.376) 2.578 14.556 ( -4.738 0.000 -5.972) 7.623 14.556 ( 4.738 0.000 -5.972) 7.623 14.681 ( -13.325 0.000 2.698) 13.595 14.681 ( 13.325 0.000 2.698) 13.595 15.829 ( -3.355 0.000 1.906) 3.859 15.829 ( 3.355 0.000 1.906) 3.859 16.020 ( -13.351 0.000 -0.066) 13.352 16.020 ( 13.351 0.000 -0.066) 13.352 16.763 ( -36.302 0.000 2.453) 36.385 16.763 ( 36.302 0.000 2.453) 36.385 16.988 ( -30.572 0.000 -7.248) 31.420 16.988 ( 30.572 0.000 -7.248) 31.420 18.971 ( -9.057 0.000 1.380) 9.161 18.971 ( 9.057 0.000 1.380) 9.161 19.175 ( -6.021 0.000 11.470) 12.954 19.175 ( 6.021 0.000 11.470) 12.954 19.865 ( -3.614 0.000 1.524) 3.922 19.865 ( 3.614 0.000 1.524) 3.922 23.054 ( -13.324 0.000 -7.143) 15.118 23.054 ( 13.324 0.000 -7.143) 15.118 23.255 ( -8.798 0.000 -4.649) 9.951 23.255 ( 8.798 0.000 -4.649) 9.951 23.524 ( -5.277 0.000 2.448) 5.817 23.524 ( 5.277 0.000 2.448) 5.817 25.232 ( -15.785 0.000 3.799) 16.236 25.232 ( 15.785 0.000 3.799) 16.236 25.429 ( -6.264 0.000 -5.730) 8.489 25.429 ( 6.264 0.000 -5.730) 8.489 27.159 ( -4.057 0.000 -3.134) 5.126 27.159 ( 4.057 0.000 -3.134) 5.126 27.196 ( -9.369 0.000 13.310) 16.277 27.196 ( 9.369 0.000 13.310) 16.277 28.692 ( -7.369 0.000 3.693) 8.243 28.692 ( 7.369 0.000 3.693) 8.243 29.267 ( -3.747 0.000 -2.209) 4.350 29.267 ( 3.747 0.000 -2.209) 4.350 29.382 ( -4.732 0.000 -6.358) 7.926 29.382 ( 4.732 0.000 -6.358) 7.926 31.689 ( -0.700 0.000 1.811) 1.942 31.689 ( 0.700 0.000 1.811) 1.942 32.369 ( -5.155 0.000 0.976) 5.247 32.369 ( 5.155 0.000 0.976) 5.247 33.436 ( -3.792 0.000 -0.174) 3.796 33.436 ( 3.792 0.000 -0.174) 3.796 35.332 ( -6.294 0.000 -1.581) 6.490 35.332 ( 6.294 0.000 -1.581) 6.490 37.068 ( -1.232 0.000 0.009) 1.232 37.068 ( 1.232 0.000 0.009) 1.232 39.197 ( -37.942 0.000 -0.181) 37.942 39.197 ( 37.942 0.000 -0.181) 37.942 39.932 ( -30.848 0.000 -2.106) 30.920 39.932 ( 30.848 0.000 -2.106) 30.920 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 14.786 12.150) 19.137 0.613 ( 0.000 11.944 13.973) 18.382 0.988 ( 0.000 19.252 19.497) 27.400 1.309 ( 0.000 -4.040 0.526) 4.074 1.373 ( 0.000 -0.514 0.060) 0.518 1.478 ( 0.000 -11.589 1.483) 11.683 1.583 ( 0.000 1.364 -5.037) 5.219 1.584 ( 0.000 3.569 0.179) 3.573 1.607 ( 0.000 1.021 -1.678) 1.965 1.699 ( 0.000 2.328 -1.311) 2.672 1.730 ( 0.000 -1.880 -0.669) 1.995 1.810 ( 0.000 2.717 -0.928) 2.871 1.882 ( 0.000 6.435 1.123) 6.532 1.927 ( 0.000 0.461 -1.684) 1.746 1.968 ( 0.000 -1.512 0.918) 1.769 2.020 ( 0.000 1.886 0.928) 2.102 2.061 ( 0.000 -1.026 0.712) 1.249 2.080 ( 0.000 -0.681 -1.610) 1.748 3.848 ( 0.000 5.025 0.933) 5.111 3.994 ( 0.000 6.537 -5.515) 8.552 4.063 ( 0.000 2.362 0.709) 2.466 4.259 ( 0.000 -1.971 -0.030) 1.971 4.419 ( 0.000 -11.538 1.454) 11.630 4.907 ( 0.000 7.116 0.562) 7.139 5.058 ( 0.000 -0.661 -0.061) 0.664 5.289 ( 0.000 0.393 0.058) 0.397 5.315 ( 0.000 -0.212 0.380) 0.435 5.458 ( 0.000 -16.902 0.062) 16.902 6.816 ( 0.000 3.806 -0.103) 3.807 7.197 ( 0.000 -4.672 -0.118) 4.674 7.848 ( 0.000 7.468 -2.041) 7.742 8.263 ( 0.000 2.677 0.978) 2.850 8.508 ( 0.000 -4.246 -0.288) 4.256 8.521 ( 0.000 -7.050 0.054) 7.051 10.267 ( 0.000 11.376 -0.442) 11.385 11.028 ( 0.000 -6.949 0.255) 6.954 12.874 ( 0.000 2.303 -0.099) 2.305 13.044 ( 0.000 -0.218 1.444) 1.461 13.086 ( 0.000 5.152 1.947) 5.507 13.570 ( 0.000 -3.797 -1.387) 4.042 13.873 ( 0.000 2.385 -6.016) 6.472 14.051 ( 0.000 -1.365 1.077) 1.739 14.313 ( 0.000 24.413 -2.629) 24.555 14.927 ( 0.000 3.843 1.517) 4.132 15.690 ( 0.000 -17.202 1.405) 17.259 15.944 ( 0.000 -8.906 -32.232) 33.440 16.940 ( 0.000 12.489 -3.501) 12.971 17.302 ( 0.000 11.881 -0.282) 11.885 17.433 ( 0.000 18.941 0.166) 18.942 18.322 ( 0.000 6.363 -3.191) 7.119 18.430 ( 0.000 -6.550 -3.742) 7.544 18.850 ( 0.000 0.237 0.414) 0.477 19.016 ( 0.000 -2.690 9.867) 10.227 19.050 ( 0.000 -3.214 3.808) 4.983 19.957 ( 0.000 -8.617 4.756) 9.842 20.672 ( 0.000 7.793 1.098) 7.870 20.753 ( 0.000 -32.340 27.465) 42.429 21.353 ( 0.000 -7.681 -0.708) 7.713 22.626 ( 0.000 12.692 -6.646) 14.327 23.442 ( 0.000 -3.039 -2.770) 4.111 23.928 ( 0.000 0.342 0.215) 0.404 23.972 ( 0.000 -0.667 -0.276) 0.722 24.760 ( 0.000 31.945 -33.030) 45.951 25.080 ( 0.000 -2.955 9.858) 10.291 25.814 ( 0.000 25.029 -23.411) 34.271 26.718 ( 0.000 -5.671 4.206) 7.061 27.124 ( 0.000 0.177 -2.341) 2.347 27.831 ( 0.000 -9.427 11.717) 15.038 28.166 ( 0.000 2.359 -0.238) 2.371 28.197 ( 0.000 -0.030 -0.283) 0.284 28.283 ( 0.000 4.021 0.289) 4.032 28.758 ( 0.000 11.575 -7.477) 13.779 28.771 ( 0.000 -5.319 0.069) 5.320 29.452 ( 0.000 3.810 -7.320) 8.252 29.644 ( 0.000 -7.386 0.869) 7.437 30.034 ( 0.000 -15.017 9.876) 17.973 31.690 ( 0.000 -0.672 2.159) 2.261 31.909 ( 0.000 -9.365 3.519) 10.004 32.463 ( 0.000 10.766 -1.384) 10.854 33.201 ( 0.000 -12.600 4.715) 13.454 33.586 ( 0.000 7.548 2.583) 7.978 33.970 ( 0.000 -3.213 0.754) 3.300 34.084 ( 0.000 -0.002 0.322) 0.322 34.086 ( 0.000 -0.062 0.538) 0.542 36.171 ( 0.000 3.422 0.179) 3.426 36.477 ( 0.000 -3.453 -0.035) 3.453 37.360 ( 0.000 1.302 1.328) 1.859 37.598 ( 0.000 -9.648 9.048) 13.227 40.905 ( 0.000 10.154 -5.689) 11.640 41.375 ( 0.000 -5.585 1.128) 5.698 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 11.154 9.813 9.880) 17.842 0.788 ( 13.827 10.221 9.398) 19.595 1.166 ( 15.949 11.154 12.482) 23.121 1.332 ( 2.236 -2.682 0.943) 3.617 1.373 ( 0.387 -2.064 0.582) 2.179 1.508 ( 1.797 -5.107 0.857) 5.482 1.587 ( 0.113 0.235 -4.015) 4.023 1.603 ( 0.539 2.939 -0.670) 3.062 1.619 ( 2.285 0.246 -0.819) 2.440 1.694 ( 1.128 0.275 0.012) 1.161 1.744 ( 0.485 3.304 -2.029) 3.907 1.833 ( 1.423 0.249 -0.321) 1.480 1.884 ( -0.598 3.104 0.459) 3.195 1.938 ( 1.045 2.701 -1.694) 3.355 1.975 ( 0.648 -0.597 0.347) 0.947 2.004 ( -0.885 1.167 0.344) 1.505 2.055 ( 0.295 -1.276 1.478) 1.975 2.090 ( 0.368 -0.191 -0.497) 0.647 3.861 ( 0.919 2.860 0.474) 3.041 3.928 ( -0.319 9.203 -1.182) 9.284 4.210 ( 7.950 0.733 -1.747) 8.173 4.377 ( 10.105 -2.730 -0.197) 10.470 4.451 ( 4.505 -8.376 1.249) 9.593 4.882 ( -1.785 7.323 0.662) 7.566 5.032 ( -1.358 -0.878 -0.161) 1.625 5.334 ( 1.815 0.094 0.199) 1.829 5.377 ( 4.158 -3.650 -1.986) 5.878 5.413 ( -3.176 -14.142 -0.104) 14.495 6.735 ( -7.727 4.090 -0.091) 8.743 7.086 ( -10.143 -3.267 -0.342) 10.662 7.897 ( 4.304 5.945 -1.233) 7.442 8.270 ( 0.697 2.591 0.852) 2.815 8.489 ( -2.019 -6.310 -0.228) 6.630 8.499 ( -1.834 -3.845 0.010) 4.260 10.276 ( 1.041 10.044 -0.380) 10.105 10.966 ( -5.438 -6.373 0.120) 8.379 12.965 ( 7.934 2.202 0.219) 8.237 13.111 ( 5.638 -1.361 1.760) 6.061 13.314 ( 20.367 5.242 0.028) 21.031 13.807 ( 20.561 -5.548 -2.196) 21.410 14.047 ( 16.008 4.052 -3.611) 16.903 14.202 ( 8.880 9.780 4.952) 14.108 14.486 ( 19.943 8.181 -6.884) 22.628 15.048 ( 11.081 3.173 1.131) 11.582 15.611 ( -5.626 -15.174 -4.632) 16.833 15.964 ( 0.639 -5.159 -22.871) 23.455 16.746 ( -14.690 11.474 3.586) 18.982 17.076 ( -14.290 11.164 0.556) 18.142 17.638 ( 11.758 16.118 -2.041) 20.055 18.258 ( -6.461 6.740 -3.640) 10.021 18.578 ( 10.456 -11.145 1.480) 15.353 18.856 ( -4.326 0.114 7.498) 8.657 18.990 ( -0.101 -3.373 7.972) 8.657 19.197 ( 11.931 -2.005 4.362) 12.861 19.329 ( -19.748 12.225 20.514) 30.988 20.046 ( -23.924 -6.458 7.828) 25.987 21.704 ( 26.885 -7.846 -1.230) 28.033 21.863 ( 43.446 -34.506 -7.388) 55.972 22.632 ( 0.981 11.715 -6.210) 13.296 23.420 ( -1.717 -4.438 -2.952) 5.600 24.023 ( 5.280 4.024 -0.721) 6.678 24.090 ( 8.832 0.709 -1.035) 8.920 24.785 ( 2.393 17.612 -22.720) 28.846 25.001 ( -6.880 -4.168 7.797) 11.203 25.738 ( -5.233 27.720 -20.797) 35.047 26.587 ( -11.861 -1.831 3.853) 12.605 27.100 ( -2.287 -1.370 -1.331) 2.980 27.606 ( -18.274 -1.509 10.815) 21.288 27.860 ( -20.941 2.265 -1.332) 21.105 28.136 ( -16.202 2.092 7.957) 18.171 28.319 ( 8.001 1.302 4.832) 9.437 28.699 ( -0.107 -8.038 -1.010) 8.101 28.973 ( 11.513 5.237 -3.153) 13.036 29.400 ( -19.008 5.892 12.831) 23.678 29.420 ( -3.085 3.473 -7.369) 8.711 29.675 ( -10.309 -3.479 7.620) 13.284 31.686 ( -0.317 -0.816 2.130) 2.303 31.829 ( -4.698 -3.819 3.722) 7.107 32.358 ( -3.839 9.130 0.788) 9.936 33.043 ( -12.770 -9.712 4.537) 16.673 33.484 ( -5.797 7.359 1.196) 9.444 33.845 ( -8.996 -2.879 -0.285) 9.450 34.258 ( 15.364 0.795 0.444) 15.391 34.511 ( 24.611 -8.360 -5.330) 26.533 36.572 ( 34.745 4.574 -0.094) 35.045 37.115 ( 30.481 -7.855 -14.052) 34.471 37.328 ( -2.930 1.235 1.153) 3.382 37.681 ( 16.192 -17.713 4.871) 24.488 40.776 ( -11.482 9.487 -2.752) 15.146 41.256 ( -10.906 -4.851 0.957) 11.974 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 13.169 5.167 5.311) 15.111 1.058 ( 12.180 6.780 6.357) 15.321 1.349 ( 1.907 -2.867 -0.886) 3.555 1.387 ( 0.991 -2.995 0.429) 3.184 1.484 ( 4.628 0.357 -1.259) 4.809 1.544 ( 1.061 -0.652 0.603) 1.384 1.613 ( 3.737 1.043 -0.980) 4.002 1.649 ( 2.884 1.770 0.963) 3.518 1.680 ( 6.300 2.294 2.297) 7.087 1.736 ( 2.497 -1.635 -0.125) 2.988 1.764 ( 2.322 6.433 -1.534) 7.009 1.845 ( -0.888 -0.273 0.575) 1.093 1.858 ( -0.590 1.842 0.273) 1.954 1.927 ( -1.877 2.442 -0.828) 3.189 1.978 ( -0.029 2.404 -0.521) 2.460 2.010 ( 0.751 -0.623 -0.381) 1.047 2.081 ( -0.932 0.368 0.749) 1.251 2.121 ( 5.412 -1.418 1.611) 5.822 3.896 ( 3.023 3.033 -0.852) 4.366 3.996 ( 5.891 5.537 -0.264) 8.089 4.285 ( -0.394 -5.218 0.726) 5.283 4.568 ( 4.822 -4.980 -0.787) 6.977 4.647 ( 10.834 1.734 0.285) 10.976 4.886 ( 5.081 5.212 -0.263) 7.284 5.053 ( 3.978 -0.628 0.269) 4.037 5.315 ( -2.095 -11.495 -0.181) 11.686 5.378 ( 2.339 0.790 0.237) 2.480 5.462 ( 2.545 -1.858 -1.999) 3.732 6.504 ( -14.287 4.691 -0.118) 15.038 6.808 ( -16.192 -1.731 -0.106) 16.285 8.002 ( 5.433 3.550 -0.785) 6.537 8.290 ( 1.194 1.937 0.575) 2.347 8.424 ( -4.043 -5.794 -0.115) 7.066 8.456 ( -2.358 -1.549 -0.102) 2.823 10.315 ( 2.792 6.759 -0.244) 7.317 10.826 ( -7.672 -5.070 0.033) 9.195 13.162 ( 10.170 2.481 0.856) 10.503 13.266 ( 8.802 0.371 -0.447) 8.821 13.792 ( 22.404 -0.048 -1.254) 22.439 14.211 ( 15.564 -6.649 -5.238) 17.716 14.381 ( 10.179 17.985 3.977) 21.045 14.550 ( 27.913 4.726 0.524) 28.315 15.062 ( 32.169 -3.109 -3.208) 32.477 15.352 ( 17.736 0.137 0.269) 17.739 15.544 ( 1.788 -10.289 -5.254) 11.690 15.953 ( -0.920 0.577 -13.262) 13.306 16.454 ( -12.545 6.266 7.939) 16.115 16.788 ( -12.081 10.605 -1.484) 16.144 17.789 ( -1.206 12.918 -1.557) 13.067 18.035 ( -15.308 6.117 -3.213) 16.796 18.620 ( -3.479 -7.814 17.121) 19.139 18.779 ( 5.816 -8.841 5.376) 11.870 19.122 ( 4.598 -1.324 5.016) 6.932 19.325 ( 9.708 4.117 0.792) 10.575 19.505 ( 12.928 -0.090 4.356) 13.642 19.634 ( -9.552 0.499 8.428) 12.748 22.283 ( 26.828 -8.908 -2.696) 28.396 22.500 ( 20.089 -26.750 -6.919) 34.161 22.696 ( 6.463 6.616 -6.395) 11.244 23.379 ( -2.189 -6.948 -2.902) 7.841 24.020 ( -5.929 12.158 -2.288) 13.718 24.132 ( -9.679 4.191 -3.059) 10.982 24.854 ( 2.244 -3.156 0.880) 3.971 24.902 ( 3.224 -4.882 1.330) 6.000 25.705 ( 2.600 27.009 -16.893) 31.963 26.275 ( -16.858 8.995 3.414) 19.410 27.028 ( -4.484 -4.616 2.728) 6.990 27.245 ( -11.897 3.449 4.829) 13.295 27.520 ( -12.480 -0.824 -0.599) 12.522 27.721 ( -19.366 -1.934 14.935) 24.532 28.472 ( 6.737 3.267 4.680) 8.830 28.815 ( 8.866 -7.866 -1.745) 11.980 29.103 ( -2.513 3.806 -0.886) 4.646 29.229 ( 1.268 5.565 2.354) 6.174 29.348 ( -2.459 3.029 -6.095) 7.237 29.521 ( -5.907 -5.438 0.565) 8.049 31.678 ( -0.393 -0.882 1.823) 2.063 31.750 ( -3.034 -1.895 2.599) 4.421 32.317 ( -0.696 4.938 0.134) 4.989 32.745 ( -14.029 -5.238 3.686) 15.422 33.408 ( -1.860 3.828 0.206) 4.261 33.664 ( -7.939 -2.361 -0.692) 8.312 34.657 ( 21.510 1.728 -0.005) 21.579 34.965 ( 19.070 -6.228 -3.361) 20.341 37.215 ( -3.687 0.111 0.068) 3.690 37.264 ( -4.004 -0.823 -1.218) 4.265 37.456 ( 43.791 7.044 0.536) 44.358 38.366 ( 38.471 -18.362 -7.567) 43.295 40.455 ( -19.562 7.561 -0.724) 20.985 40.941 ( -19.286 -4.819 0.217) 19.880 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 8.409 1.976 2.161) 8.904 1.277 ( 8.480 2.093 2.601) 9.114 1.369 ( -0.127 -0.652 -0.568) 0.874 1.406 ( 0.784 -3.169 0.251) 3.274 1.518 ( 1.001 0.678 -1.569) 1.981 1.556 ( 0.652 2.102 0.764) 2.330 1.663 ( 0.949 -0.400 -0.418) 1.111 1.680 ( 2.232 -1.449 0.472) 2.702 1.756 ( 1.342 0.257 -1.644) 2.138 1.787 ( 1.488 2.070 -1.000) 2.738 1.792 ( -1.861 0.788 0.853) 2.193 1.813 ( -0.037 1.429 -1.226) 1.883 1.884 ( -2.183 2.518 0.247) 3.341 1.896 ( -0.174 0.876 0.726) 1.151 1.978 ( 0.242 2.748 -0.892) 2.899 2.045 ( -2.224 1.165 0.703) 2.607 2.102 ( 8.401 0.858 2.076) 8.696 2.225 ( 3.415 -1.134 1.050) 3.748 3.987 ( 5.532 2.648 -0.788) 6.183 4.151 ( 8.756 -0.047 -0.312) 8.762 4.229 ( -4.588 -2.641 0.878) 5.366 4.526 ( -6.922 -6.770 -0.875) 9.722 4.776 ( 4.241 3.254 0.892) 5.419 5.029 ( -6.258 -3.151 0.548) 7.028 5.161 ( 16.838 3.464 -1.186) 17.232 5.388 ( 1.693 -1.067 -0.034) 2.001 5.512 ( 5.894 -0.597 -1.291) 6.064 5.547 ( 16.974 -1.359 0.399) 17.033 6.158 ( -18.661 4.962 -0.246) 19.311 6.431 ( -19.971 -1.182 0.208) 20.007 8.114 ( 5.330 1.438 -0.607) 5.554 8.318 ( 0.836 0.277 0.248) 0.915 8.330 ( -4.185 -2.453 -0.153) 4.853 8.405 ( -2.445 -0.809 -0.025) 2.575 10.393 ( 4.785 3.000 -0.099) 5.649 10.663 ( -7.787 -3.079 0.027) 8.374 13.357 ( 8.162 3.467 -0.112) 8.869 13.433 ( 5.953 2.890 -1.469) 6.778 14.171 ( 14.375 -5.624 -0.920) 15.463 14.428 ( 4.570 -8.272 -4.658) 10.536 14.614 ( 11.337 13.423 -0.235) 17.572 14.893 ( 3.298 3.647 -2.227) 5.398 15.647 ( 19.591 -2.045 1.165) 19.732 15.722 ( 12.750 -4.323 0.460) 13.471 15.758 ( 12.523 -3.645 1.121) 13.091 16.043 ( 11.143 -6.771 -6.062) 14.379 16.287 ( 4.419 14.243 4.597) 15.605 16.672 ( 4.898 10.851 -4.278) 12.651 17.501 ( -24.780 9.070 1.763) 26.446 17.628 ( -23.982 5.147 -2.776) 24.684 18.715 ( 9.613 -6.227 5.462) 12.689 18.908 ( 5.858 -8.954 5.232) 11.910 19.133 ( -2.889 -2.736 7.415) 8.415 19.242 ( -8.462 -5.040 3.696) 10.520 19.744 ( 13.663 7.500 4.789) 16.306 19.827 ( 10.355 2.846 3.359) 11.252 22.727 ( 13.489 -8.010 -5.125) 16.504 22.784 ( 12.773 -10.389 -3.326) 16.797 22.911 ( 10.677 -11.495 -5.933) 16.773 23.316 ( -5.030 -9.726 -3.441) 11.478 23.781 ( -15.962 9.309 -1.636) 18.550 23.842 ( -10.909 10.218 -0.876) 14.973 24.908 ( 4.773 -5.221 4.070) 8.161 25.048 ( 4.715 -9.752 -0.473) 10.843 25.783 ( 3.332 24.236 -9.552) 26.263 25.965 ( -11.145 22.572 2.629) 25.311 26.973 ( 0.803 -7.338 5.751) 9.357 27.117 ( -2.802 -1.731 1.136) 3.484 27.320 ( -6.910 1.699 -0.846) 7.166 27.393 ( -12.093 -2.833 11.089) 16.650 28.604 ( 6.256 4.450 3.619) 8.488 28.908 ( -6.230 4.801 2.857) 8.368 29.056 ( 6.552 -7.069 -5.793) 11.245 29.275 ( 1.004 0.014 -2.055) 2.287 29.338 ( 0.385 1.383 -3.966) 4.218 29.416 ( -4.255 -5.856 -1.879) 7.479 31.673 ( -0.081 -0.881 1.552) 1.787 31.701 ( -1.679 -1.259 1.995) 2.896 32.322 ( 1.260 2.490 0.297) 2.806 32.506 ( -8.773 -1.746 2.329) 9.244 33.396 ( 0.622 1.416 -0.040) 1.547 33.524 ( -5.600 -1.454 -0.502) 5.807 35.079 ( 17.679 1.367 -0.731) 17.747 35.273 ( 9.733 -3.193 -2.271) 10.492 37.108 ( -4.652 0.143 0.359) 4.668 37.144 ( -5.887 -0.617 -0.150) 5.921 38.400 ( 44.540 6.505 -0.221) 45.013 39.134 ( 35.260 -11.521 -4.182) 37.330 39.962 ( -27.944 6.727 -0.403) 28.745 40.466 ( -26.366 -5.438 -0.538) 26.927 ======================= Grid point 58 (25/60) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -2.839 0.383 -0.046) 2.865 1.339 ( 2.839 0.383 -0.046) 2.865 1.394 ( -2.699 -1.805 0.285) 3.260 1.394 ( 2.699 -1.805 0.285) 3.260 1.547 ( -1.541 2.186 0.533) 2.727 1.547 ( 1.541 2.186 0.533) 2.727 1.701 ( -1.869 -1.257 1.287) 2.594 1.701 ( 1.869 -1.257 1.287) 2.594 1.754 ( -0.606 0.673 -0.471) 1.021 1.754 ( 0.606 0.673 -0.471) 1.021 1.829 ( -0.865 2.131 -0.842) 2.449 1.829 ( 0.865 2.131 -0.842) 2.449 1.854 ( -1.789 1.164 -0.873) 2.306 1.854 ( 1.789 1.164 -0.873) 2.306 1.999 ( -1.821 1.921 -0.276) 2.661 1.999 ( 1.821 1.921 -0.276) 2.661 2.233 ( -3.031 -0.249 1.405) 3.350 2.233 ( 3.031 -0.249 1.405) 3.350 4.112 ( -6.257 0.844 0.099) 6.315 4.112 ( 6.257 0.844 0.099) 6.315 4.345 ( -9.621 -4.720 -0.588) 10.733 4.345 ( 9.621 -4.720 -0.588) 10.733 4.887 ( -6.508 -0.151 0.644) 6.541 4.887 ( 6.508 -0.151 0.644) 6.541 5.377 ( -3.345 0.858 -0.614) 3.508 5.377 ( 3.345 0.858 -0.614) 3.508 5.751 ( -17.554 2.985 -0.433) 17.811 5.751 ( 17.554 2.985 -0.433) 17.811 5.994 ( -21.299 -0.670 0.312) 21.312 5.994 ( 21.299 -0.670 0.312) 21.312 8.223 ( -5.218 -0.754 -0.420) 5.289 8.223 ( 5.218 -0.754 -0.420) 5.289 8.358 ( -2.077 0.067 0.127) 2.082 8.358 ( 2.077 0.067 0.127) 2.082 10.512 ( -6.610 -0.370 -0.006) 6.621 10.512 ( 6.610 -0.370 -0.006) 6.621 13.473 ( -2.286 4.218 -1.283) 4.966 13.473 ( 2.286 4.218 -1.283) 4.966 14.396 ( -6.970 -9.182 -2.489) 11.793 14.396 ( 6.970 -9.182 -2.489) 11.793 14.819 ( -7.931 7.498 -1.979) 11.092 14.819 ( 7.931 7.498 -1.979) 11.092 15.814 ( -2.071 -0.704 1.658) 2.745 15.814 ( 2.071 -0.704 1.658) 2.745 15.988 ( -10.097 -3.698 0.169) 10.754 15.988 ( 10.097 -3.698 0.169) 10.754 16.860 ( -34.547 9.049 1.444) 35.741 16.860 ( 34.547 9.049 1.444) 35.741 17.069 ( -27.672 6.940 -3.817) 28.784 17.069 ( 27.672 6.940 -3.817) 28.784 18.908 ( -7.316 -6.839 0.828) 10.048 18.908 ( 7.316 -6.839 0.828) 10.048 19.119 ( -4.238 -3.673 9.250) 10.817 19.119 ( 4.238 -3.673 9.250) 10.817 19.918 ( -2.107 4.583 3.504) 6.142 19.918 ( 2.107 4.583 3.504) 6.142 22.914 ( -2.976 -13.473 -5.022) 14.683 22.914 ( 2.976 -13.473 -5.022) 14.683 23.118 ( -11.508 -6.707 -4.121) 13.943 23.118 ( 11.508 -6.707 -4.121) 13.943 23.664 ( -4.494 9.029 -0.094) 10.087 23.664 ( 4.494 9.029 -0.094) 10.087 25.028 ( -5.361 -8.593 1.123) 10.190 25.028 ( 5.361 -8.593 1.123) 10.190 25.835 ( -2.799 26.058 -2.114) 26.293 25.835 ( 2.799 26.058 -2.114) 26.293 27.049 ( -4.780 -8.289 5.956) 11.271 27.049 ( 4.780 -8.289 5.956) 11.271 27.249 ( -1.123 2.481 1.960) 3.355 27.249 ( 1.123 2.481 1.960) 3.355 28.744 ( -7.604 4.944 2.465) 9.399 28.744 ( 7.604 4.944 2.465) 9.399 29.214 ( -6.587 -5.026 -4.362) 9.363 29.214 ( 6.587 -5.026 -4.362) 9.363 29.359 ( -1.721 -1.983 -2.446) 3.588 29.359 ( 1.721 -1.983 -2.446) 3.588 31.678 ( -0.638 -0.966 1.620) 1.991 31.678 ( 0.638 -0.966 1.620) 1.991 32.376 ( -4.146 0.582 1.094) 4.327 32.376 ( 4.146 0.582 1.094) 4.327 33.434 ( -3.083 -0.215 -0.230) 3.099 33.434 ( 3.083 -0.215 -0.230) 3.099 35.327 ( -5.063 -0.402 -1.543) 5.308 35.327 ( 5.063 -0.402 -1.543) 5.308 37.064 ( -1.019 -0.337 0.002) 1.073 37.064 ( 1.019 -0.337 0.002) 1.073 39.250 ( -36.330 5.023 -0.262) 36.677 39.250 ( 36.330 5.023 -0.262) 36.677 39.865 ( -30.720 -6.159 -1.776) 31.382 39.865 ( 30.720 -6.159 -1.776) 31.382 ======================= Grid point 63 (26/60) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 12.734 4.012) 13.351 0.896 ( 0.000 16.298 6.621) 17.592 1.089 ( 0.000 -7.158 1.996) 7.431 1.211 ( 0.000 -14.502 3.724) 14.973 1.345 ( 0.000 3.531 6.218) 7.150 1.368 ( 0.000 -0.038 2.395) 2.396 1.617 ( 0.000 2.324 0.901) 2.492 1.625 ( 0.000 2.566 -4.132) 4.864 1.638 ( 0.000 0.615 0.257) 0.666 1.681 ( 0.000 -2.788 -2.397) 3.677 1.770 ( 0.000 4.013 1.083) 4.157 1.855 ( 0.000 -2.345 0.035) 2.345 1.928 ( 0.000 1.744 0.411) 1.792 1.952 ( 0.000 -0.191 -1.663) 1.674 1.991 ( 0.000 4.183 0.173) 4.187 2.052 ( 0.000 0.835 0.055) 0.837 2.054 ( 0.000 -2.091 -0.734) 2.216 2.058 ( 0.000 0.720 0.858) 1.120 3.947 ( 0.000 7.078 -0.047) 7.078 4.127 ( 0.000 -8.169 -0.085) 8.170 4.127 ( 0.000 3.707 0.524) 3.743 4.202 ( 0.000 -3.476 0.241) 3.484 4.394 ( 0.000 20.807 -1.720) 20.878 4.892 ( 0.000 -21.465 -0.585) 21.473 5.028 ( 0.000 4.505 0.126) 4.507 5.124 ( 0.000 -7.751 0.600) 7.774 5.299 ( 0.000 0.517 0.251) 0.575 5.309 ( 0.000 -0.408 0.356) 0.541 6.925 ( 0.000 6.687 -0.199) 6.690 7.071 ( 0.000 -7.209 -0.192) 7.212 8.037 ( 0.000 10.857 -1.171) 10.920 8.263 ( 0.000 -9.366 -0.148) 9.367 8.372 ( 0.000 1.857 -0.118) 1.861 8.449 ( 0.000 -3.880 -0.081) 3.881 10.546 ( 0.000 14.774 -0.203) 14.776 10.828 ( 0.000 -12.356 0.030) 12.356 12.934 ( 0.000 3.366 1.213) 3.578 13.001 ( 0.000 -2.975 2.188) 3.693 13.256 ( 0.000 9.827 -0.355) 9.833 13.447 ( 0.000 -8.189 -1.660) 8.355 13.938 ( 0.000 3.677 -3.191) 4.869 14.008 ( 0.000 -2.915 -0.851) 3.036 14.881 ( 0.000 30.708 -6.637) 31.417 15.061 ( 0.000 9.789 0.921) 9.833 15.330 ( 0.000 -16.389 1.000) 16.420 15.503 ( 0.000 -28.864 -14.681) 32.383 17.231 ( 0.000 13.134 -6.306) 14.570 17.408 ( 0.000 -2.608 -3.861) 4.659 17.850 ( 0.000 20.332 -0.027) 20.332 18.213 ( 0.000 -14.729 -1.078) 14.768 18.508 ( 0.000 13.096 0.963) 13.132 18.821 ( 0.000 -15.327 6.149) 16.514 18.883 ( 0.000 3.110 0.404) 3.136 18.966 ( 0.000 -4.574 2.124) 5.043 19.951 ( 0.000 8.693 8.424) 12.105 20.250 ( 0.000 -19.539 17.298) 26.095 20.884 ( 0.000 12.383 0.479) 12.392 21.143 ( 0.000 -12.323 -0.188) 12.324 22.960 ( 0.000 17.988 -5.848) 18.915 23.285 ( 0.000 -12.625 -3.121) 13.005 23.939 ( 0.000 0.708 0.042) 0.709 23.955 ( 0.000 -0.905 -0.140) 0.916 25.033 ( 0.000 4.076 -7.014) 8.112 25.075 ( 0.000 0.299 0.242) 0.385 26.240 ( 0.000 15.676 -16.613) 22.841 26.510 ( 0.000 -12.157 -2.047) 12.328 27.296 ( 0.000 13.525 -5.908) 14.759 27.585 ( 0.000 -13.891 0.575) 13.903 28.192 ( 0.000 0.448 -0.123) 0.465 28.196 ( 0.000 -0.089 -0.177) 0.198 28.427 ( 0.000 9.306 0.059) 9.307 28.621 ( 0.000 -9.038 0.031) 9.038 29.060 ( 0.000 17.108 1.141) 17.146 29.407 ( 0.000 -15.614 2.995) 15.899 29.564 ( 0.000 7.166 -2.491) 7.587 29.751 ( 0.000 -11.588 5.299) 12.743 31.712 ( 0.000 2.684 -0.842) 2.813 31.785 ( 0.000 -4.369 -0.157) 4.372 32.695 ( 0.000 12.037 2.521) 12.298 32.945 ( 0.000 -12.484 4.316) 13.209 33.743 ( 0.000 7.416 1.614) 7.589 33.878 ( 0.000 -5.709 1.034) 5.802 34.084 ( 0.000 0.031 0.399) 0.400 34.085 ( 0.000 -0.071 0.483) 0.488 36.266 ( 0.000 5.548 0.113) 5.549 36.382 ( 0.000 -5.568 0.032) 5.568 37.400 ( 0.000 2.561 2.533) 3.602 37.467 ( 0.000 -4.299 5.211) 6.755 41.087 ( 0.000 8.181 -2.698) 8.614 41.244 ( 0.000 -7.204 -0.301) 7.210 ======================= Grid point 64 (27/60) ======================= q-point: ( 0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 6.705 10.154 3.169) 12.574 1.010 ( 8.350 9.718 5.233) 13.840 1.171 ( 6.495 -4.880 0.916) 8.175 1.270 ( 3.485 -8.432 4.024) 9.972 1.384 ( 4.115 1.692 3.579) 5.710 1.409 ( 4.478 -2.260 0.256) 5.023 1.619 ( -0.228 1.681 -1.041) 1.991 1.631 ( 1.131 0.942 1.492) 2.095 1.659 ( 1.827 2.691 -0.815) 3.353 1.693 ( 1.497 -0.268 -1.016) 1.829 1.808 ( 2.968 2.132 0.183) 3.659 1.862 ( 0.301 -0.844 -0.762) 1.176 1.919 ( -0.672 1.995 0.158) 2.111 1.946 ( 0.604 -0.962 -0.354) 1.190 2.011 ( 0.321 3.062 -0.744) 3.168 2.030 ( -0.490 1.118 0.308) 1.259 2.049 ( -0.436 0.466 1.353) 1.496 2.074 ( 0.899 -1.451 -0.162) 1.715 3.955 ( 0.891 6.919 -0.184) 6.978 4.123 ( -0.258 -6.749 0.218) 6.757 4.159 ( 2.061 7.682 0.239) 7.957 4.298 ( 7.699 -5.095 0.084) 9.233 4.489 ( 9.871 14.564 -1.208) 17.635 4.890 ( 1.039 -18.331 -0.664) 18.373 5.003 ( -2.041 4.649 0.205) 5.081 5.100 ( -2.250 -7.670 0.547) 8.011 5.338 ( 2.596 0.321 0.107) 2.618 5.349 ( 3.776 -0.921 -0.248) 3.895 6.847 ( -7.497 6.563 -0.243) 9.967 6.984 ( -8.310 -6.397 -0.326) 10.492 8.059 ( 1.980 9.688 -0.909) 9.930 8.266 ( 0.192 -9.061 -0.170) 9.064 8.365 ( -0.579 2.198 -0.034) 2.274 8.438 ( -0.993 -3.576 -0.062) 3.711 10.525 ( -1.702 13.342 -0.187) 13.451 10.783 ( -4.010 -11.335 -0.007) 12.023 13.018 ( 7.521 2.829 1.251) 8.132 13.073 ( 6.629 -2.393 1.687) 7.247 13.465 ( 17.922 9.163 -0.975) 20.152 13.657 ( 17.954 -8.961 -2.366) 20.205 14.143 ( 19.199 4.986 -1.766) 19.915 14.231 ( 20.167 -3.108 0.085) 20.406 14.881 ( 2.434 23.321 -6.045) 24.214 15.179 ( 7.762 9.061 -1.612) 12.040 15.284 ( 0.009 -12.961 -2.213) 13.149 15.607 ( 6.930 -23.938 -9.720) 26.750 17.052 ( -14.685 13.928 -3.158) 20.485 17.214 ( -14.543 -0.397 -2.451) 14.753 17.981 ( 8.821 16.641 -1.309) 18.880 18.303 ( 5.715 -14.339 0.484) 15.444 18.446 ( -5.680 11.270 1.553) 12.715 18.713 ( -9.083 -12.575 6.492) 16.816 19.010 ( 10.285 4.303 -0.415) 11.156 19.116 ( 11.840 -5.427 1.756) 13.142 19.599 ( -17.793 13.793 13.991) 26.506 19.865 ( -21.143 -11.492 12.952) 27.329 21.464 ( 35.213 -5.470 -1.847) 35.683 21.524 ( 28.014 -8.349 -1.544) 29.273 22.937 ( -1.585 16.590 -5.444) 17.532 23.246 ( -3.038 -12.593 -3.360) 13.383 24.069 ( 9.867 1.473 -0.332) 9.982 24.092 ( 10.496 -0.636 -0.449) 10.525 24.951 ( -7.306 2.473 -5.257) 9.334 24.976 ( -8.681 0.206 1.215) 8.768 26.202 ( -2.820 16.666 -14.533) 22.292 26.461 ( -4.090 -9.795 -1.192) 10.682 27.214 ( -7.189 10.948 -2.716) 13.375 27.455 ( -10.670 -11.247 3.070) 15.804 27.988 ( -21.807 8.005 -3.669) 23.518 28.119 ( -17.176 -4.004 -1.632) 17.712 28.384 ( 5.778 5.245 5.443) 9.514 28.525 ( 0.353 -8.272 3.023) 8.814 29.145 ( 4.855 10.531 -0.970) 11.636 29.355 ( -3.280 -8.597 2.244) 9.471 29.513 ( -4.709 5.233 -2.497) 7.470 29.610 ( -10.089 -3.727 4.146) 11.527 31.695 ( -1.201 1.873 0.236) 2.237 31.753 ( -2.449 -3.493 0.512) 4.297 32.579 ( -7.684 11.906 3.451) 14.585 32.822 ( -9.955 -11.695 4.544) 16.016 33.633 ( -7.631 7.013 0.520) 10.377 33.760 ( -8.502 -5.351 0.020) 10.046 34.288 ( 17.473 2.357 0.068) 17.631 34.364 ( 21.435 -5.433 -1.226) 22.146 36.706 ( 37.055 8.408 -1.381) 38.022 36.906 ( 39.458 -10.999 -5.759) 41.365 37.368 ( -2.636 2.802 2.749) 4.728 37.452 ( 0.749 -6.232 6.187) 8.813 40.963 ( -11.547 8.732 -1.781) 14.586 41.128 ( -10.894 -7.436 -0.234) 13.192 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 8.870 6.050 1.403) 10.828 1.181 ( 7.742 3.330 2.781) 8.875 1.281 ( 3.978 -2.046 1.364) 4.676 1.328 ( 2.320 -3.265 2.306) 4.622 1.478 ( 3.703 0.224 -1.791) 4.120 1.512 ( 4.269 -2.535 -0.550) 4.995 1.618 ( 0.485 0.687 -0.115) 0.848 1.643 ( 0.164 -1.527 1.066) 1.869 1.733 ( 1.921 1.497 -0.933) 2.608 1.742 ( 4.760 1.613 1.621) 5.281 1.844 ( -0.306 0.653 0.133) 0.733 1.854 ( -0.868 0.656 -1.131) 1.569 1.938 ( 2.251 3.599 -0.216) 4.251 1.967 ( -1.157 0.035 -0.888) 1.459 2.001 ( 2.293 2.581 1.300) 3.689 2.030 ( 0.496 1.065 0.231) 1.197 2.083 ( 0.443 -0.194 0.797) 0.932 2.090 ( 4.068 -1.289 1.672) 4.583 3.990 ( 2.590 6.137 -0.371) 6.672 4.122 ( 0.448 -3.228 0.521) 3.300 4.192 ( 1.107 6.531 -0.133) 6.626 4.408 ( 0.808 -10.345 -0.304) 10.381 4.771 ( 13.723 9.970 -0.324) 16.965 4.978 ( 2.497 3.589 -0.075) 4.373 5.025 ( 13.055 -8.142 -0.511) 15.394 5.037 ( -3.408 -8.327 0.493) 9.011 5.398 ( 3.079 1.158 -0.032) 3.290 5.425 ( 3.305 -1.570 -0.646) 3.716 6.621 ( -14.078 6.296 -0.271) 15.424 6.740 ( -14.917 -4.900 -0.315) 15.705 8.109 ( 2.645 6.860 -0.622) 7.378 8.265 ( -0.461 -7.710 -0.261) 7.728 8.353 ( -0.477 2.567 0.127) 2.614 8.411 ( -1.469 -2.717 -0.006) 3.089 10.490 ( -1.425 9.690 -0.118) 9.795 10.682 ( -5.260 -8.716 -0.012) 10.180 13.216 ( 10.822 2.578 1.174) 11.187 13.257 ( 10.619 -1.321 0.349) 10.706 13.861 ( 17.390 6.716 -2.034) 18.753 14.037 ( 15.597 -9.599 -3.692) 18.683 14.657 ( 25.381 5.099 0.077) 25.888 14.682 ( 16.552 6.143 0.480) 17.661 15.091 ( 21.499 7.934 -5.631) 23.598 15.292 ( 9.781 -9.297 -5.890) 14.724 15.453 ( 11.871 7.035 1.257) 13.856 15.730 ( 4.714 -16.928 -5.407) 18.385 16.740 ( -12.912 15.358 1.916) 20.156 16.919 ( -12.155 -0.545 -1.077) 12.215 18.073 ( -5.764 12.599 -2.523) 14.083 18.177 ( -16.474 5.642 -0.401) 17.419 18.434 ( 2.480 -5.981 9.064) 11.139 18.562 ( 1.523 -12.339 5.266) 13.501 19.150 ( 0.218 4.145 2.020) 4.616 19.269 ( -2.110 -6.594 -1.209) 7.028 19.576 ( 13.444 5.159 9.552) 17.280 19.646 ( 5.262 -0.920 11.997) 13.133 22.093 ( 25.269 -7.452 -3.781) 26.615 22.105 ( 25.374 -9.075 -3.696) 27.200 22.917 ( 0.031 13.022 -4.623) 13.818 23.180 ( -3.119 -12.046 -3.573) 12.946 24.175 ( -3.644 4.008 -2.256) 5.868 24.200 ( -4.858 1.462 -1.882) 5.411 24.816 ( -3.039 -0.534 3.237) 4.472 24.832 ( -0.401 -2.028 -0.132) 2.072 26.177 ( 1.313 17.426 -9.617) 19.947 26.381 ( -2.609 -1.868 1.240) 3.440 27.027 ( -10.418 5.962 2.426) 12.246 27.204 ( -12.379 -8.044 6.581) 16.163 27.554 ( -15.933 5.154 -4.169) 17.257 27.663 ( -20.299 -4.306 0.776) 20.765 28.557 ( 8.768 4.890 2.546) 10.357 28.669 ( 10.191 -6.302 -1.176) 12.040 29.189 ( -1.831 5.583 -3.252) 6.715 29.305 ( -1.876 -2.618 -0.393) 3.245 29.386 ( -6.203 1.560 2.629) 6.915 29.422 ( -7.108 -1.903 -0.589) 7.382 31.673 ( -0.856 0.660 1.097) 1.540 31.705 ( -1.983 -2.201 1.217) 3.202 32.449 ( -4.632 7.612 2.329) 9.210 32.609 ( -9.408 -7.699 3.599) 12.679 33.501 ( -4.771 4.954 -0.245) 6.882 33.596 ( -6.820 -4.201 -0.547) 8.029 34.715 ( 21.847 4.094 -0.533) 22.234 34.825 ( 21.391 -6.623 -1.662) 22.455 37.224 ( -3.309 0.786 -0.707) 3.474 37.244 ( -3.713 -1.072 -1.086) 4.014 37.659 ( 43.999 12.892 0.587) 45.852 37.976 ( 43.812 -18.178 -1.477) 47.456 40.630 ( -20.292 9.084 -0.710) 22.244 40.807 ( -19.838 -8.019 -0.224) 21.399 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 5.727 2.378 0.103) 6.202 1.309 ( 4.266 0.312 0.127) 4.279 1.346 ( 2.107 -0.970 0.767) 2.443 1.360 ( 0.709 -1.327 0.300) 1.534 1.543 ( 2.764 1.860 -0.043) 3.332 1.576 ( 1.867 -0.602 0.790) 2.114 1.648 ( 1.970 -0.659 0.877) 2.255 1.653 ( 1.340 -0.929 1.088) 1.961 1.759 ( 0.676 0.800 -0.855) 1.353 1.779 ( -0.932 -0.868 0.084) 1.276 1.837 ( -0.657 1.202 -1.458) 2.001 1.846 ( 0.701 0.746 -0.639) 1.207 1.924 ( -2.054 1.384 -0.167) 2.482 1.929 ( -1.597 1.207 0.112) 2.006 2.032 ( -0.129 2.063 -0.359) 2.098 2.056 ( -0.922 -0.369 0.158) 1.005 2.147 ( 6.532 3.098 2.152) 7.543 2.196 ( 4.362 -1.717 1.489) 4.919 4.058 ( 3.769 4.158 -0.335) 5.622 4.143 ( 1.130 -3.476 0.330) 3.670 4.208 ( 0.717 4.086 -0.515) 4.181 4.353 ( -4.656 -9.038 -0.674) 10.189 4.862 ( 0.150 4.750 0.674) 4.799 4.954 ( -3.956 -4.128 0.599) 5.749 5.246 ( 15.339 4.546 -0.713) 16.015 5.335 ( 9.443 -3.940 -0.370) 10.239 5.508 ( 8.973 0.291 -0.503) 8.992 5.522 ( 12.136 -1.010 0.137) 12.179 6.277 ( -18.794 6.008 -0.257) 19.732 6.381 ( -19.410 -3.890 -0.127) 19.796 8.162 ( 2.410 3.366 -0.501) 4.170 8.245 ( -1.450 -4.472 -0.352) 4.714 8.349 ( 0.145 1.616 0.191) 1.633 8.381 ( -1.333 -1.454 0.074) 1.974 10.476 ( 0.292 4.873 -0.032) 4.882 10.579 ( -4.460 -4.905 0.018) 6.630 13.433 ( 9.273 3.368 0.060) 9.865 13.470 ( 8.527 0.091 -0.669) 8.554 14.133 ( 9.089 2.114 -1.760) 9.496 14.246 ( 4.622 -8.288 -3.025) 9.960 14.863 ( 4.230 9.510 -4.715) 11.426 14.951 ( 3.524 0.618 -5.036) 6.178 15.626 ( 21.436 0.539 0.742) 21.455 15.670 ( 17.616 -2.978 1.945) 17.972 15.703 ( 12.129 1.553 0.523) 12.239 15.832 ( 6.345 -10.326 -1.420) 12.203 16.637 ( 7.000 15.385 1.976) 17.018 16.805 ( 4.307 -0.098 -1.146) 4.458 17.698 ( -25.788 7.891 1.206) 26.996 17.739 ( -25.059 3.876 1.008) 25.377 18.584 ( 9.603 -3.189 4.121) 10.926 18.681 ( 6.281 -11.136 3.208) 13.182 19.108 ( -3.061 0.560 4.175) 5.207 19.151 ( -5.740 -3.518 1.835) 6.978 19.871 ( 12.011 3.902 7.000) 14.440 19.887 ( 11.264 2.062 6.692) 13.264 22.501 ( 13.638 -7.841 -4.292) 16.307 22.517 ( 13.836 -8.771 -3.716) 16.798 22.949 ( 3.145 6.934 -4.063) 8.630 23.118 ( -3.062 -9.332 -3.984) 10.599 23.941 ( -13.275 5.379 -1.761) 14.432 23.973 ( -12.421 2.428 -1.688) 12.768 24.855 ( 4.074 -0.140 2.538) 4.802 24.900 ( 3.510 -4.692 1.037) 5.950 26.246 ( 4.313 18.381 -4.299) 19.364 26.364 ( -0.091 11.241 3.731) 11.844 26.837 ( -5.759 -2.620 2.867) 6.946 26.981 ( -9.078 -11.169 7.333) 16.153 27.341 ( -5.802 1.327 -2.581) 6.487 27.366 ( -8.408 -0.719 -2.252) 8.734 28.725 ( 7.491 7.189 0.240) 10.385 28.883 ( 9.665 -7.950 -3.724) 13.057 29.058 ( -8.460 8.036 -1.752) 11.799 29.231 ( -6.299 -7.557 -3.899) 10.583 29.316 ( -0.671 -0.015 2.618) 2.702 29.340 ( -1.323 -1.117 1.008) 2.004 31.661 ( -0.345 -0.062 1.259) 1.307 31.673 ( -1.060 -1.222 1.386) 2.130 32.386 ( -1.495 3.530 1.339) 4.061 32.456 ( -5.274 -3.116 2.130) 6.486 33.435 ( -1.696 2.320 -0.310) 2.890 33.484 ( -4.039 -2.340 -0.467) 4.691 35.123 ( 16.019 2.925 -1.064) 16.318 35.195 ( 13.122 -4.028 -1.633) 13.823 37.114 ( -5.157 0.521 0.151) 5.185 37.128 ( -5.628 -0.801 -0.038) 5.685 38.588 ( 43.233 11.763 -0.724) 44.810 38.860 ( 40.084 -14.319 -2.026) 42.613 40.129 ( -27.925 9.211 -0.468) 29.409 40.317 ( -27.324 -8.803 -0.477) 28.711 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -1.278 0.325 -0.578) 1.440 1.347 ( 1.278 0.325 -0.578) 1.440 1.365 ( -0.741 -0.886 -0.175) 1.168 1.365 ( 0.741 -0.886 -0.175) 1.168 1.584 ( -1.022 1.108 1.347) 2.021 1.584 ( 1.022 1.108 1.347) 2.021 1.678 ( -0.583 -0.733 1.782) 2.013 1.678 ( 0.583 -0.733 1.782) 2.013 1.763 ( -0.101 0.235 -0.529) 0.588 1.763 ( 0.101 0.235 -0.529) 0.588 1.838 ( -1.016 -0.014 -1.767) 2.038 1.838 ( 1.016 -0.014 -1.767) 2.038 1.906 ( -0.440 1.914 0.121) 1.968 1.906 ( 0.440 1.914 0.121) 1.968 2.034 ( -0.675 1.044 -0.003) 1.243 2.034 ( 0.675 1.044 -0.003) 1.243 2.233 ( -1.203 0.209 1.344) 1.816 2.233 ( 1.203 0.209 1.344) 1.816 4.130 ( -2.581 0.632 -0.096) 2.659 4.130 ( 2.581 0.632 -0.096) 2.659 4.256 ( -4.086 -2.948 -0.722) 5.090 4.256 ( 4.086 -2.948 -0.722) 5.090 4.885 ( -2.375 -0.037 0.700) 2.476 4.885 ( 2.375 -0.037 0.700) 2.476 5.389 ( -1.083 0.280 -0.478) 1.216 5.389 ( 1.083 0.280 -0.478) 1.216 5.814 ( -11.494 2.343 0.019) 11.731 5.814 ( 11.494 2.343 0.019) 11.731 5.975 ( -12.663 -0.899 -0.225) 12.697 5.975 ( 12.663 -0.899 -0.225) 12.697 8.208 ( -2.029 -0.479 -0.423) 2.128 8.208 ( 2.029 -0.479 -0.423) 2.128 8.359 ( -0.800 0.046 0.151) 0.815 8.359 ( 0.800 0.046 0.151) 0.815 10.505 ( -2.531 -0.218 0.018) 2.541 10.505 ( 2.531 -0.218 0.018) 2.541 13.554 ( -1.239 2.649 -0.934) 3.070 13.554 ( 1.239 2.649 -0.934) 3.070 14.256 ( -2.962 -3.879 -2.041) 5.291 14.256 ( 2.962 -3.879 -2.041) 5.291 14.932 ( -3.055 3.138 -5.244) 6.832 14.932 ( 3.055 3.138 -5.244) 6.832 15.821 ( -1.499 1.651 1.900) 2.930 15.821 ( 1.499 1.651 1.900) 2.930 15.890 ( -4.128 -4.814 1.328) 6.479 15.890 ( 4.128 -4.814 1.328) 6.479 17.030 ( -14.224 4.924 -1.330) 15.111 17.030 ( 14.224 4.924 -1.330) 15.111 17.229 ( -10.740 6.796 2.382) 12.931 17.229 ( 10.740 6.796 2.382) 12.931 18.733 ( -2.901 -7.178 1.636) 7.913 18.733 ( 2.901 -7.178 1.636) 7.913 19.073 ( -1.171 -1.007 4.346) 4.612 19.073 ( 1.171 -1.007 4.346) 4.612 20.007 ( -0.415 2.974 6.202) 6.891 20.007 ( 0.415 2.974 6.202) 6.891 22.652 ( -0.754 -8.418 -3.613) 9.191 22.652 ( 0.754 -8.418 -3.613) 9.191 23.038 ( -4.756 -1.760 -4.371) 6.695 23.038 ( 4.756 -1.760 -4.371) 6.695 23.806 ( -1.667 3.963 -1.329) 4.500 23.806 ( 1.667 3.963 -1.329) 4.500 24.920 ( -1.540 -2.439 1.294) 3.162 24.920 ( 1.540 -2.439 1.294) 3.162 26.328 ( -3.329 19.569 1.104) 19.881 26.328 ( 3.329 19.569 1.104) 19.881 26.834 ( -4.621 -11.846 4.666) 13.544 26.834 ( 4.621 -11.846 4.666) 13.544 27.285 ( -0.255 0.999 -2.113) 2.351 27.285 ( 0.255 0.999 -2.113) 2.351 28.877 ( -7.447 7.230 -1.748) 10.525 28.877 ( 7.447 7.230 -1.748) 10.525 29.080 ( -8.027 -7.300 -3.261) 11.330 29.080 ( 8.027 -7.300 -3.261) 11.330 29.321 ( -0.706 -1.235 1.529) 2.088 29.321 ( 0.706 -1.235 1.529) 2.088 31.660 ( -0.286 -0.583 1.315) 1.466 31.660 ( 0.286 -0.583 1.315) 1.466 32.386 ( -1.571 0.342 1.285) 2.058 32.386 ( 1.571 0.342 1.285) 2.058 33.430 ( -1.187 -0.133 -0.323) 1.238 33.430 ( 1.187 -0.133 -0.323) 1.238 35.319 ( -1.916 -0.247 -1.480) 2.434 35.319 ( 1.916 -0.247 -1.480) 2.434 37.058 ( -0.403 -0.204 -0.010) 0.451 37.058 ( 0.403 -0.204 -0.010) 0.451 39.375 ( -24.126 5.708 -0.533) 24.798 39.375 ( 24.126 5.708 -0.533) 24.798 39.719 ( -22.060 -6.395 -1.117) 22.995 39.719 ( 22.060 -6.395 -1.117) 22.995 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 0.000 16.077) 16.077 0.866 ( 0.000 0.000 17.898) 17.898 1.261 ( 0.000 0.000 20.373) 20.373 1.328 ( 0.000 0.000 -4.616) 4.616 1.392 ( 0.000 0.000 -10.106) 10.106 1.405 ( 0.000 0.000 2.895) 2.895 1.455 ( 0.000 0.000 -1.656) 1.656 1.578 ( 0.000 0.000 0.526) 0.526 1.665 ( 0.000 0.000 0.791) 0.791 1.671 ( 0.000 0.000 0.651) 0.651 1.773 ( 0.000 0.000 -0.070) 0.070 1.792 ( 0.000 0.000 0.401) 0.401 1.811 ( 0.000 0.000 3.480) 3.480 1.863 ( 0.000 0.000 -3.242) 3.242 1.990 ( 0.000 0.000 -0.793) 0.793 2.017 ( 0.000 0.000 1.431) 1.431 2.032 ( 0.000 0.000 -3.160) 3.160 2.058 ( 0.000 0.000 -3.482) 3.482 3.744 ( 0.000 0.000 -0.186) 0.186 3.824 ( 0.000 0.000 -9.324) 9.324 4.054 ( 0.000 0.000 0.763) 0.763 4.276 ( 0.000 0.000 -0.145) 0.145 4.631 ( 0.000 0.000 1.570) 1.570 4.823 ( 0.000 0.000 1.537) 1.537 5.032 ( 0.000 0.000 -0.540) 0.540 5.284 ( 0.000 0.000 0.004) 0.004 5.325 ( 0.000 0.000 0.335) 0.335 5.632 ( 0.000 0.000 -0.253) 0.253 6.776 ( 0.000 0.000 -0.039) 0.039 7.245 ( 0.000 0.000 -0.074) 0.074 7.736 ( 0.000 0.000 -0.958) 0.958 8.258 ( 0.000 0.000 0.784) 0.784 8.531 ( 0.000 0.000 -0.222) 0.222 8.625 ( 0.000 0.000 0.211) 0.211 10.123 ( 0.000 0.000 -0.805) 0.805 11.108 ( 0.000 0.000 0.325) 0.325 12.829 ( 0.000 0.000 -1.055) 1.055 13.028 ( 0.000 0.000 1.598) 1.598 13.151 ( 0.000 0.000 3.883) 3.883 13.595 ( 0.000 0.000 -0.684) 0.684 13.683 ( 0.000 0.000 -7.595) 7.595 14.088 ( 0.000 0.000 0.643) 0.643 14.223 ( 0.000 0.000 14.658) 14.658 14.934 ( 0.000 0.000 2.008) 2.008 15.302 ( 0.000 0.000 -23.884) 23.884 15.938 ( 0.000 0.000 1.665) 1.665 16.903 ( 0.000 0.000 0.087) 0.087 17.204 ( 0.000 0.000 -0.018) 0.018 17.222 ( 0.000 0.000 4.864) 4.864 18.180 ( 0.000 0.000 -2.499) 2.499 18.382 ( 0.000 0.000 -4.543) 4.543 18.880 ( 0.000 0.000 1.200) 1.200 19.167 ( 0.000 0.000 3.303) 3.303 19.227 ( 0.000 0.000 8.909) 8.909 20.200 ( 0.000 0.000 6.027) 6.027 20.621 ( 0.000 0.000 1.460) 1.460 21.367 ( 0.000 0.000 -2.659) 2.659 21.413 ( 0.000 0.000 -1.006) 1.006 22.478 ( 0.000 0.000 -2.620) 2.620 23.365 ( 0.000 0.000 -3.008) 3.008 23.836 ( 0.000 0.000 -2.156) 2.156 23.933 ( 0.000 0.000 0.598) 0.598 23.970 ( 0.000 0.000 -0.631) 0.631 25.172 ( 0.000 0.000 -13.506) 13.506 25.608 ( 0.000 0.000 23.540) 23.540 26.701 ( 0.000 0.000 -6.513) 6.513 27.303 ( 0.000 0.000 9.985) 9.985 28.124 ( 0.000 0.000 -0.281) 0.281 28.191 ( 0.000 0.000 -0.254) 0.254 28.240 ( 0.000 0.000 -21.663) 21.663 28.258 ( 0.000 0.000 0.318) 0.318 28.375 ( 0.000 0.000 21.012) 21.012 28.829 ( 0.000 0.000 0.088) 0.088 29.242 ( 0.000 0.000 -7.805) 7.805 29.647 ( 0.000 0.000 -5.694) 5.694 30.277 ( 0.000 0.000 2.400) 2.400 31.789 ( 0.000 0.000 4.418) 4.418 32.087 ( 0.000 0.000 -4.397) 4.397 32.213 ( 0.000 0.000 -1.468) 1.468 33.473 ( 0.000 0.000 -0.591) 0.591 33.477 ( 0.000 0.000 4.017) 4.017 34.018 ( 0.000 0.000 0.594) 0.594 34.089 ( 0.000 0.000 0.221) 0.221 34.100 ( 0.000 0.000 0.625) 0.625 36.140 ( 0.000 0.000 0.204) 0.204 36.512 ( 0.000 0.000 -0.063) 0.063 37.369 ( 0.000 0.000 1.018) 1.018 37.802 ( 0.000 0.000 0.324) 0.324 40.735 ( 0.000 0.000 0.102) 0.102 41.448 ( 0.000 0.000 0.036) 0.036 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 11.627 0.000 14.139) 18.305 0.952 ( 7.646 0.000 15.042) 16.874 1.315 ( 5.658 0.000 6.319) 8.482 1.351 ( 2.225 0.000 -3.927) 4.514 1.385 ( 0.710 0.000 -3.499) 3.570 1.476 ( 2.605 0.000 -0.985) 2.785 1.494 ( 3.447 0.000 -1.901) 3.936 1.591 ( 3.722 0.000 6.011) 7.070 1.632 ( -2.221 0.000 1.715) 2.806 1.668 ( -0.127 0.000 0.430) 0.449 1.798 ( 1.896 0.000 -0.209) 1.907 1.815 ( 0.127 0.000 2.221) 2.224 1.839 ( 3.044 0.000 0.157) 3.048 1.861 ( -0.063 0.000 -2.561) 2.562 1.966 ( -2.397 0.000 -1.170) 2.667 1.997 ( 0.549 0.000 -0.263) 0.608 2.062 ( 1.276 0.000 -3.231) 3.474 2.084 ( 2.117 0.000 0.150) 2.122 3.794 ( 4.779 0.000 -0.187) 4.783 3.800 ( -0.950 0.000 -5.893) 5.969 4.169 ( 9.658 0.000 -0.146) 9.659 4.398 ( 10.673 0.000 -0.258) 10.676 4.641 ( 1.011 0.000 1.492) 1.802 4.783 ( -2.840 0.000 1.323) 3.133 5.023 ( -0.373 0.000 -0.362) 0.520 5.331 ( 2.568 0.000 -0.646) 2.648 5.355 ( 3.210 0.000 -0.954) 3.348 5.572 ( -5.485 0.000 -0.222) 5.490 6.691 ( -8.090 0.000 -0.075) 8.090 7.115 ( -11.132 0.000 0.007) 11.132 7.812 ( 6.060 0.000 -0.927) 6.130 8.264 ( 0.634 0.000 0.814) 1.032 8.513 ( -1.653 0.000 -0.221) 1.668 8.587 ( -3.532 0.000 0.175) 3.536 10.153 ( 2.779 0.000 -0.612) 2.846 11.037 ( -6.160 0.000 0.263) 6.165 12.924 ( 8.374 0.000 -0.878) 8.420 13.180 ( 2.644 0.000 2.720) 3.793 13.271 ( 21.034 0.000 0.961) 21.056 13.843 ( 13.309 0.000 -7.944) 15.500 13.875 ( 25.686 0.000 0.234) 25.688 14.260 ( 3.568 0.000 14.378) 14.814 14.371 ( 25.924 0.000 -2.031) 26.003 15.057 ( 11.368 0.000 1.765) 11.504 15.283 ( -1.091 0.000 -22.574) 22.601 15.928 ( -1.311 0.000 1.425) 1.937 16.715 ( -11.886 0.000 0.818) 11.914 17.013 ( -16.799 0.000 2.336) 16.960 17.423 ( 14.076 0.000 -0.380) 14.081 18.105 ( -6.704 0.000 -3.032) 7.358 18.673 ( 23.304 0.000 -1.891) 23.381 18.912 ( 2.880 0.000 2.612) 3.888 19.241 ( 0.572 0.000 7.771) 7.792 19.282 ( 10.586 0.000 2.885) 10.972 19.703 ( -30.762 0.000 18.663) 35.981 20.213 ( -24.699 0.000 3.011) 24.882 21.774 ( 26.853 0.000 -0.429) 26.856 21.962 ( 34.153 0.000 -15.796) 37.630 22.499 ( 2.383 0.000 -3.264) 4.041 23.369 ( 0.470 0.000 -2.736) 2.776 23.829 ( -0.757 0.000 -1.565) 1.738 24.032 ( 5.070 0.000 -2.349) 5.588 24.226 ( 23.439 0.000 -3.220) 23.659 25.101 ( -5.214 0.000 -10.702) 11.905 25.526 ( -7.547 0.000 21.908) 23.172 26.596 ( -11.489 0.000 -2.736) 11.810 27.143 ( -11.068 0.000 0.522) 11.080 27.822 ( -16.691 0.000 -3.129) 16.981 27.889 ( -23.784 0.000 12.248) 26.753 28.201 ( -2.652 0.000 0.101) 2.654 28.474 ( 3.338 0.000 9.461) 10.033 28.541 ( 16.522 0.000 -11.645) 20.213 28.944 ( 9.074 0.000 -0.311) 9.079 29.191 ( -4.703 0.000 -8.454) 9.674 29.500 ( -11.979 0.000 0.205) 11.980 29.928 ( -23.562 0.000 9.774) 25.509 31.774 ( -1.310 0.000 3.870) 4.086 31.959 ( -7.697 0.000 0.998) 7.761 32.220 ( 0.714 0.000 -1.281) 1.467 33.258 ( -17.839 0.000 3.711) 18.221 33.407 ( -2.836 0.000 0.914) 2.979 33.867 ( -10.094 0.000 -0.329) 10.100 34.265 ( 14.734 0.000 0.775) 14.754 34.468 ( 25.024 0.000 -5.020) 25.523 36.529 ( 33.904 0.000 0.190) 33.904 36.965 ( 29.561 0.000 -6.581) 30.285 37.334 ( -3.339 0.000 0.909) 3.460 37.849 ( 8.628 0.000 -2.355) 8.944 40.644 ( -8.842 0.000 0.052) 8.842 41.325 ( -11.363 0.000 0.371) 11.369 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 9.564 0.000 9.645) 13.583 1.142 ( 9.724 0.000 9.299) 13.454 1.354 ( 0.254 0.000 -1.662) 1.681 1.413 ( 3.399 0.000 -1.945) 3.916 1.457 ( -0.010 0.000 -0.786) 0.786 1.511 ( 4.243 0.000 -4.269) 6.019 1.581 ( 4.561 0.000 -2.418) 5.162 1.594 ( -0.132 0.000 -0.145) 0.196 1.673 ( 0.725 0.000 0.279) 0.777 1.709 ( 1.899 0.000 2.342) 3.015 1.807 ( -0.859 0.000 -0.153) 0.872 1.865 ( 0.406 0.000 -0.649) 0.765 1.866 ( 0.213 0.000 0.908) 0.933 1.880 ( 6.619 0.000 5.364) 8.520 1.924 ( -1.633 0.000 -1.374) 2.134 2.012 ( 1.790 0.000 0.275) 1.811 2.098 ( -0.989 0.000 1.037) 1.433 2.141 ( 5.766 0.000 -1.476) 5.952 3.822 ( 3.325 0.000 -3.029) 4.497 3.938 ( 8.952 0.000 -0.182) 8.954 4.347 ( 3.444 0.000 0.928) 3.567 4.605 ( 5.273 0.000 -0.424) 5.290 4.682 ( 3.076 0.000 0.872) 3.197 4.795 ( 7.525 0.000 -0.661) 7.554 5.067 ( 5.807 0.000 0.436) 5.823 5.375 ( 1.822 0.000 0.291) 1.846 5.423 ( 2.824 0.000 -2.342) 3.668 5.439 ( -5.220 0.000 -0.136) 5.222 6.451 ( -14.757 0.000 -0.120) 14.757 6.826 ( -16.318 0.000 0.229) 16.320 7.948 ( 6.696 0.000 -0.849) 6.750 8.284 ( 1.285 0.000 0.630) 1.431 8.467 ( -2.579 0.000 -0.188) 2.586 8.489 ( -5.710 0.000 0.053) 5.710 10.235 ( 5.087 0.000 -0.310) 5.097 10.880 ( -8.550 0.000 0.126) 8.551 13.133 ( 10.607 0.000 -0.112) 10.608 13.256 ( 4.626 0.000 0.090) 4.626 13.772 ( 24.571 0.000 -2.011) 24.653 14.151 ( 14.727 0.000 -6.632) 16.152 14.362 ( 7.592 0.000 12.010) 14.208 14.522 ( 28.820 0.000 1.700) 28.870 15.062 ( 38.301 0.000 -1.929) 38.350 15.337 ( 10.666 0.000 -17.193) 20.233 15.372 ( 18.461 0.000 0.835) 18.480 15.877 ( -3.411 0.000 1.205) 3.617 16.483 ( -10.435 0.000 1.263) 10.512 16.628 ( -19.042 0.000 -1.126) 19.075 17.637 ( 3.458 0.000 -0.015) 3.458 17.887 ( -14.916 0.000 -3.552) 15.333 18.972 ( 0.631 0.000 7.141) 7.168 19.112 ( -10.570 0.000 9.493) 14.207 19.206 ( 25.910 0.000 0.250) 25.911 19.368 ( -0.881 0.000 11.247) 11.281 19.562 ( 14.907 0.000 2.085) 15.052 19.757 ( -18.077 0.000 5.375) 18.859 22.342 ( 25.731 0.000 -1.168) 25.758 22.474 ( 12.736 0.000 -7.329) 14.694 22.649 ( 15.318 0.000 -11.909) 19.402 23.389 ( 1.740 0.000 -1.635) 2.388 23.799 ( -2.333 0.000 0.095) 2.335 23.967 ( -14.384 0.000 -5.902) 15.548 24.751 ( 23.812 0.000 -5.339) 24.403 25.097 ( 6.990 0.000 -5.535) 8.917 25.333 ( -9.686 0.000 16.767) 19.364 26.206 ( -24.188 0.000 1.567) 24.239 26.994 ( -2.964 0.000 -7.131) 7.722 27.446 ( -15.272 0.000 12.430) 19.691 27.500 ( -13.937 0.000 -1.205) 13.989 28.051 ( -11.825 0.000 7.906) 14.224 28.550 ( 4.909 0.000 5.046) 7.039 28.857 ( 13.537 0.000 -5.857) 14.750 29.093 ( -3.250 0.000 -8.598) 9.192 29.127 ( 7.479 0.000 -1.597) 7.647 29.230 ( -13.393 0.000 10.671) 17.124 29.559 ( -11.843 0.000 -2.808) 12.172 31.744 ( -1.369 0.000 2.687) 3.015 31.836 ( -4.437 0.000 2.353) 5.022 32.244 ( 1.655 0.000 -0.761) 1.822 32.872 ( -17.463 0.000 2.993) 17.718 33.375 ( -0.516 0.000 0.457) 0.689 33.672 ( -8.280 0.000 -0.822) 8.321 34.647 ( 20.687 0.000 0.512) 20.693 34.943 ( 19.607 0.000 -4.142) 20.039 37.232 ( -4.189 0.000 0.627) 4.236 37.248 ( -2.453 0.000 -0.991) 2.645 37.382 ( 45.511 0.000 0.044) 45.511 38.359 ( 36.733 0.000 -8.381) 37.677 40.364 ( -18.303 0.000 -0.060) 18.303 40.998 ( -19.901 0.000 0.190) 19.902 ======================= Grid point 93 (34/60) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 4.208 0.000 2.662) 4.979 1.324 ( 7.408 0.000 3.790) 8.321 1.364 ( -0.283 0.000 -0.450) 0.532 1.466 ( 0.987 0.000 0.043) 0.987 1.468 ( 2.412 0.000 -0.927) 2.584 1.547 ( 0.187 0.000 2.021) 2.029 1.647 ( 3.498 0.000 -0.767) 3.581 1.675 ( 4.579 0.000 -1.827) 4.930 1.700 ( 1.753 0.000 0.228) 1.767 1.714 ( 1.839 0.000 -4.363) 4.735 1.786 ( -1.066 0.000 -0.580) 1.214 1.825 ( -3.151 0.000 1.287) 3.404 1.856 ( -1.925 0.000 0.064) 1.926 1.912 ( -3.522 0.000 0.190) 3.527 1.916 ( 1.322 0.000 -1.178) 1.771 2.047 ( -3.612 0.000 0.691) 3.678 2.156 ( 8.503 0.000 3.740) 9.289 2.249 ( 3.637 0.000 -0.155) 3.641 3.934 ( 7.267 0.000 -1.292) 7.381 4.153 ( 11.444 0.000 -0.229) 11.446 4.281 ( -7.310 0.000 1.082) 7.390 4.579 ( -6.414 0.000 -0.701) 6.452 4.762 ( 5.221 0.000 0.746) 5.274 5.077 ( -7.221 0.000 0.485) 7.237 5.094 ( 17.537 0.000 -1.138) 17.574 5.397 ( -0.045 0.000 0.116) 0.125 5.486 ( 4.406 0.000 -1.549) 4.671 5.573 ( 18.389 0.000 0.388) 18.393 6.097 ( -18.956 0.000 -0.320) 18.958 6.450 ( -19.864 0.000 0.448) 19.869 8.085 ( 6.589 0.000 -0.676) 6.624 8.316 ( 1.806 0.000 0.346) 1.838 8.360 ( -6.561 0.000 -0.159) 6.563 8.412 ( -2.694 0.000 -0.080) 2.696 10.359 ( 6.853 0.000 -0.098) 6.854 10.696 ( -8.985 0.000 0.067) 8.986 13.312 ( 6.201 0.000 0.131) 6.202 13.360 ( 4.475 0.000 -1.934) 4.875 14.207 ( 16.313 0.000 -5.024) 17.069 14.391 ( 7.310 0.000 -6.151) 9.553 14.544 ( 10.003 0.000 8.998) 13.454 14.820 ( 1.768 0.000 -2.800) 3.312 15.693 ( 18.826 0.000 0.748) 18.841 15.811 ( 2.838 0.000 0.109) 2.840 15.848 ( 22.720 0.000 2.262) 22.832 15.974 ( 41.012 0.000 0.261) 41.013 16.271 ( -10.450 0.000 0.741) 10.476 16.310 ( -4.221 0.000 -9.663) 10.545 17.450 ( -21.871 0.000 2.125) 21.974 17.469 ( -25.783 0.000 -4.622) 26.194 18.926 ( 1.470 0.000 7.191) 7.339 19.080 ( 0.001 0.000 1.256) 1.256 19.383 ( 0.802 0.000 10.216) 10.248 19.494 ( -7.209 0.000 9.174) 11.667 19.671 ( 17.631 0.000 1.088) 17.664 19.830 ( 9.326 0.000 1.557) 9.455 22.662 ( 10.713 0.000 -3.717) 11.340 22.807 ( 16.092 0.000 -4.958) 16.838 22.955 ( 10.893 0.000 -10.504) 15.132 23.452 ( 4.513 0.000 0.397) 4.530 23.531 ( -23.481 0.000 -5.808) 24.189 23.718 ( -5.752 0.000 2.098) 6.122 25.147 ( 14.128 0.000 -3.227) 14.492 25.202 ( -1.153 0.000 9.639) 9.708 25.284 ( 7.388 0.000 -4.763) 8.791 25.700 ( -22.714 0.000 2.422) 22.843 26.993 ( 2.422 0.000 -6.151) 6.610 27.253 ( -9.977 0.000 -1.816) 10.141 27.314 ( 2.058 0.000 11.547) 11.729 27.763 ( -14.741 0.000 12.650) 19.425 28.665 ( 5.742 0.000 5.666) 8.067 28.967 ( -10.476 0.000 5.031) 11.621 29.091 ( 8.870 0.000 -2.810) 9.305 29.099 ( 2.981 0.000 -8.044) 8.578 29.231 ( 2.331 0.000 -2.181) 3.192 29.370 ( -7.875 0.000 -7.911) 11.162 31.724 ( -0.428 0.000 1.924) 1.971 31.766 ( -2.490 0.000 2.191) 3.317 32.293 ( 3.278 0.000 0.005) 3.278 32.571 ( -11.482 0.000 2.002) 11.655 33.383 ( 1.305 0.000 0.079) 1.308 33.527 ( -5.767 0.000 -0.607) 5.799 35.055 ( 17.181 0.000 -0.299) 17.184 35.250 ( 9.283 0.000 -2.792) 9.694 37.117 ( -4.938 0.000 0.483) 4.961 37.146 ( -5.821 0.000 -0.223) 5.825 38.330 ( 44.749 0.000 -0.108) 44.749 39.150 ( 37.704 0.000 -4.924) 38.024 39.882 ( -28.364 0.000 -0.155) 28.364 40.511 ( -26.996 0.000 -0.564) 27.002 ======================= Grid point 94 (35/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -2.107 0.000 -0.339) 2.134 1.334 ( 2.107 0.000 -0.339) 2.134 1.439 ( -3.573 0.000 0.892) 3.683 1.439 ( 3.573 0.000 0.892) 3.683 1.522 ( -2.273 0.000 0.649) 2.363 1.522 ( 2.273 0.000 0.649) 2.363 1.732 ( -0.639 0.000 -0.417) 0.763 1.732 ( 0.639 0.000 -0.417) 0.763 1.740 ( -4.962 0.000 0.959) 5.054 1.740 ( 4.962 0.000 0.959) 5.054 1.796 ( -3.163 0.000 0.100) 3.165 1.796 ( 3.163 0.000 0.100) 3.165 1.806 ( -5.791 0.000 -2.216) 6.201 1.806 ( 5.791 0.000 -2.216) 6.201 1.968 ( -3.488 0.000 -0.406) 3.511 1.968 ( 3.488 0.000 -0.406) 3.511 2.268 ( -2.105 0.000 1.349) 2.500 2.268 ( 2.105 0.000 1.349) 2.500 4.106 ( -8.884 0.000 0.096) 8.885 4.106 ( 8.884 0.000 0.096) 8.885 4.391 ( -10.925 0.000 -0.447) 10.934 4.391 ( 10.925 0.000 -0.447) 10.934 4.902 ( -8.148 0.000 0.537) 8.166 4.902 ( 8.148 0.000 0.537) 8.166 5.352 ( -5.514 0.000 -0.441) 5.532 5.352 ( 5.514 0.000 -0.441) 5.532 5.702 ( -17.324 0.000 -0.787) 17.342 5.702 ( 17.324 0.000 -0.787) 17.342 6.013 ( -22.036 0.000 0.546) 22.042 6.013 ( 22.036 0.000 0.546) 22.042 8.222 ( -6.652 0.000 -0.424) 6.666 8.222 ( 6.652 0.000 -0.424) 6.666 8.359 ( -2.320 0.000 0.102) 2.323 8.359 ( 2.320 0.000 0.102) 2.323 10.516 ( -8.237 0.000 0.015) 8.237 10.516 ( 8.237 0.000 0.015) 8.237 13.394 ( -1.460 0.000 -1.322) 1.970 13.394 ( 1.460 0.000 -1.322) 1.970 14.424 ( -4.447 0.000 -6.040) 7.500 14.424 ( 4.447 0.000 -6.040) 7.500 14.742 ( -7.845 0.000 2.912) 8.368 14.742 ( 7.845 0.000 2.912) 8.368 15.873 ( -6.984 0.000 2.159) 7.310 15.873 ( 6.984 0.000 2.159) 7.310 16.022 ( -13.583 0.000 0.278) 13.586 16.022 ( 13.583 0.000 0.278) 13.586 16.813 ( -37.447 0.000 2.086) 37.505 16.813 ( 37.447 0.000 2.086) 37.505 16.826 ( -35.286 0.000 -7.573) 36.090 16.826 ( 35.286 0.000 -7.573) 36.090 19.017 ( -5.248 0.000 2.414) 5.776 19.017 ( 5.248 0.000 2.414) 5.776 19.412 ( -2.277 0.000 10.528) 10.771 19.412 ( 2.277 0.000 10.528) 10.771 19.896 ( -3.673 0.000 1.344) 3.911 19.896 ( 3.673 0.000 1.344) 3.911 22.901 ( -8.733 0.000 -6.896) 11.127 22.901 ( 8.733 0.000 -6.896) 11.127 23.146 ( -11.333 0.000 -5.235) 12.484 23.146 ( 11.333 0.000 -5.235) 12.484 23.576 ( -7.127 0.000 2.272) 7.480 23.576 ( 7.127 0.000 2.272) 7.481 25.323 ( -12.713 0.000 4.483) 13.480 25.323 ( 12.713 0.000 4.483) 13.480 25.329 ( -3.357 0.000 -3.584) 4.910 25.329 ( 3.357 0.000 -3.584) 4.910 27.084 ( -6.317 0.000 -3.733) 7.338 27.084 ( 6.317 0.000 -3.733) 7.338 27.477 ( -12.090 0.000 12.585) 17.451 27.477 ( 12.090 0.000 12.585) 17.451 28.789 ( -6.793 0.000 5.826) 8.949 28.789 ( 6.793 0.000 5.826) 8.949 29.212 ( -7.133 0.000 -9.888) 12.192 29.212 ( 7.133 0.000 -9.888) 12.192 29.219 ( -3.445 0.000 -2.113) 4.041 29.219 ( 3.445 0.000 -2.113) 4.041 31.730 ( -0.990 0.000 1.870) 2.116 31.730 ( 0.990 0.000 1.870) 2.116 32.390 ( -6.355 0.000 0.948) 6.425 32.390 ( 6.355 0.000 0.948) 6.425 33.432 ( -3.451 0.000 -0.245) 3.460 33.432 ( 3.451 0.000 -0.245) 3.460 35.298 ( -5.080 0.000 -1.532) 5.306 35.298 ( 5.080 0.000 -1.532) 5.306 37.068 ( -0.835 0.000 -0.024) 0.835 37.068 ( 0.835 0.000 -0.024) 0.835 39.193 ( -37.918 0.000 -0.178) 37.919 39.193 ( 37.918 0.000 -0.178) 37.919 39.887 ( -33.101 0.000 -1.989) 33.161 39.887 ( 33.101 0.000 -1.989) 33.161 ======================= Grid point 99 (36/60) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 8.961 13.553) 16.247 0.913 ( 0.000 2.410 14.413) 14.614 1.245 ( 0.000 -4.484 1.309) 4.671 1.362 ( 0.000 1.598 -1.259) 2.034 1.407 ( 0.000 0.700 -8.696) 8.724 1.431 ( 0.000 5.754 11.031) 12.441 1.560 ( 0.000 -7.515 2.909) 8.059 1.584 ( 0.000 7.650 -0.823) 7.694 1.598 ( 0.000 3.525 4.536) 5.744 1.682 ( 0.000 1.715 0.204) 1.727 1.703 ( 0.000 -4.092 -1.986) 4.549 1.795 ( 0.000 0.843 -0.614) 1.043 1.877 ( 0.000 1.277 -2.724) 3.008 1.911 ( 0.000 5.237 1.651) 5.492 1.977 ( 0.000 -0.660 -0.397) 0.771 2.036 ( 0.000 0.279 -0.892) 0.935 2.039 ( 0.000 0.415 -2.294) 2.331 2.057 ( 0.000 0.990 -0.281) 1.029 3.820 ( 0.000 2.499 -4.410) 5.069 3.896 ( 0.000 13.187 -2.118) 13.356 4.078 ( 0.000 2.230 0.703) 2.338 4.258 ( 0.000 -1.738 -0.030) 1.738 4.463 ( 0.000 -12.210 2.300) 12.425 4.918 ( 0.000 5.828 0.373) 5.840 5.038 ( 0.000 -0.712 -1.459) 1.624 5.291 ( 0.000 0.580 0.096) 0.588 5.323 ( 0.000 -0.205 0.346) 0.402 5.458 ( 0.000 -16.226 -0.010) 16.226 6.814 ( 0.000 3.685 -0.106) 3.686 7.195 ( 0.000 -4.750 -0.115) 4.752 7.816 ( 0.000 7.446 -1.132) 7.531 8.282 ( 0.000 2.332 0.803) 2.466 8.505 ( 0.000 -3.785 -0.032) 3.785 8.519 ( 0.000 -7.968 -0.216) 7.971 10.256 ( 0.000 11.782 -0.533) 11.794 11.034 ( 0.000 -7.106 0.318) 7.113 12.869 ( 0.000 3.698 -0.293) 3.710 13.064 ( 0.000 2.189 0.865) 2.354 13.154 ( 0.000 1.376 3.893) 4.129 13.524 ( 0.000 -5.093 -3.057) 5.940 13.759 ( 0.000 5.336 -4.526) 6.997 14.062 ( 0.000 -2.593 0.133) 2.596 14.395 ( 0.000 15.641 9.329) 18.212 14.961 ( 0.000 3.064 1.608) 3.460 15.342 ( 0.000 -0.592 -25.911) 25.918 15.719 ( 0.000 -17.707 1.296) 17.754 16.965 ( 0.000 7.410 2.444) 7.802 17.306 ( 0.000 5.914 0.561) 5.941 17.436 ( 0.000 19.021 0.138) 19.022 18.261 ( 0.000 7.470 -2.664) 7.931 18.354 ( 0.000 -3.664 -3.259) 4.903 18.865 ( 0.000 -0.614 0.831) 1.033 19.122 ( 0.000 -4.312 2.880) 5.185 19.192 ( 0.000 -6.366 6.434) 9.052 20.084 ( 0.000 -5.842 7.465) 9.479 20.697 ( 0.000 7.234 1.171) 7.328 21.099 ( 0.000 -23.391 8.826) 25.001 21.337 ( 0.000 -7.241 -0.783) 7.284 22.495 ( 0.000 8.611 -5.415) 10.172 23.373 ( 0.000 -2.318 -3.437) 4.146 23.935 ( 0.000 0.141 0.460) 0.481 23.964 ( 0.000 -0.510 -0.518) 0.727 24.309 ( 0.000 32.923 -12.712) 35.292 25.105 ( 0.000 -3.940 -7.196) 8.204 25.766 ( 0.000 13.555 13.273) 18.971 26.764 ( 0.000 3.836 -2.446) 4.549 27.125 ( 0.000 -13.275 5.197) 14.257 27.895 ( 0.000 -19.810 -7.519) 21.189 28.161 ( 0.000 2.524 -0.242) 2.535 28.191 ( 0.000 0.036 -0.231) 0.234 28.288 ( 0.000 3.778 0.250) 3.786 28.719 ( 0.000 19.562 5.350) 20.280 28.773 ( 0.000 -5.361 0.066) 5.362 29.321 ( 0.000 6.934 -5.300) 8.727 29.611 ( 0.000 -3.915 -3.457) 5.223 30.133 ( 0.000 -12.511 2.077) 12.682 31.753 ( 0.000 -2.697 3.262) 4.233 31.933 ( 0.000 -9.205 0.056) 9.206 32.422 ( 0.000 14.386 -2.303) 14.569 33.266 ( 0.000 -11.723 1.896) 11.876 33.635 ( 0.000 7.398 2.116) 7.695 33.987 ( 0.000 -2.936 0.792) 3.041 34.090 ( 0.000 0.084 0.267) 0.279 34.099 ( 0.000 -0.124 0.592) 0.605 36.175 ( 0.000 3.369 0.179) 3.374 36.476 ( 0.000 -3.398 -0.037) 3.399 37.389 ( 0.000 2.018 1.320) 2.412 37.709 ( 0.000 -7.386 2.928) 7.945 40.840 ( 0.000 8.913 -1.539) 9.045 41.385 ( 0.000 -5.719 0.148) 5.721 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 6.999 3.613 11.887) 14.259 1.004 ( 9.881 4.907 11.160) 15.693 1.280 ( 3.054 -4.226 -0.031) 5.214 1.365 ( 0.534 0.702 -1.177) 1.471 1.426 ( 2.977 4.031 -2.033) 5.408 1.470 ( 1.029 -0.826 -1.955) 2.359 1.556 ( 0.497 -3.372 1.951) 3.928 1.623 ( 2.971 5.951 0.760) 6.695 1.645 ( 4.596 4.988 7.376) 10.020 1.685 ( 0.450 2.494 0.067) 2.536 1.709 ( 1.290 -3.890 -0.757) 4.168 1.828 ( 2.298 -0.266 -0.298) 2.332 1.868 ( -0.773 1.491 -1.832) 2.485 1.921 ( 0.414 4.434 0.419) 4.473 1.977 ( -0.246 0.202 -0.512) 0.603 2.002 ( -0.927 1.007 -0.482) 1.451 2.059 ( 1.466 -0.151 -2.143) 2.601 2.087 ( 1.740 0.231 0.605) 1.856 3.821 ( 0.463 2.991 -3.843) 4.892 3.906 ( 2.078 10.534 -0.559) 10.752 4.198 ( 9.091 2.437 0.255) 9.415 4.373 ( 9.825 -2.516 -0.153) 10.143 4.481 ( 2.702 -10.091 1.508) 10.555 4.893 ( -1.937 6.309 0.388) 6.611 5.020 ( -0.856 -1.121 -0.820) 1.632 5.333 ( 2.592 0.122 -0.451) 2.633 5.350 ( 2.720 -0.520 -0.392) 2.796 5.411 ( -4.087 -14.652 -0.069) 15.211 6.733 ( -7.740 3.950 -0.126) 8.690 7.081 ( -10.144 -3.473 -0.150) 10.723 7.873 ( 4.765 5.893 -0.969) 7.641 8.287 ( 0.505 2.189 0.724) 2.360 8.487 ( -1.894 -5.767 0.040) 6.070 8.496 ( -1.935 -4.752 -0.272) 5.139 10.267 ( 1.207 10.315 -0.434) 10.394 10.970 ( -5.615 -6.482 0.228) 8.578 12.963 ( 8.302 3.449 -0.322) 8.995 13.156 ( 4.600 -1.756 2.194) 5.391 13.324 ( 18.097 4.656 0.989) 18.712 13.736 ( 17.311 -6.187 -4.493) 18.925 13.982 ( 21.559 6.121 -2.256) 22.524 14.314 ( 21.080 -2.092 2.908) 21.383 14.441 ( 6.811 13.310 5.255) 15.848 15.075 ( 10.275 2.193 1.194) 10.574 15.292 ( -3.040 -2.727 -21.792) 22.171 15.764 ( 3.069 -12.839 -1.124) 13.248 16.819 ( -10.972 9.004 2.923) 14.492 17.088 ( -16.087 6.690 0.475) 17.429 17.606 ( 11.119 15.606 -1.067) 19.191 18.192 ( -6.716 7.856 -2.861) 10.724 18.581 ( 16.878 -8.621 -0.468) 18.958 18.927 ( 6.184 1.514 1.943) 6.656 19.123 ( -1.792 -10.416 4.285) 11.405 19.287 ( 9.222 -3.336 3.735) 10.494 19.709 ( -22.663 3.460 15.412) 27.625 20.212 ( -24.868 -0.209 6.542) 25.715 21.680 ( 26.040 -8.524 -0.938) 27.416 21.728 ( 34.638 -19.390 -5.126) 40.025 22.510 ( 1.585 8.308 -5.099) 9.876 23.348 ( -1.893 -4.316 -3.589) 5.924 24.003 ( 2.360 6.004 -1.106) 6.545 24.062 ( 6.927 2.014 -1.647) 7.399 24.442 ( 13.803 21.068 -9.961) 27.085 25.029 ( -5.982 -4.311 -5.113) 8.973 25.698 ( -5.835 15.015 11.631) 19.869 26.657 ( -10.721 3.348 1.319) 11.309 27.051 ( -5.106 -6.684 -1.460) 8.536 27.720 ( -11.897 -10.743 -3.812) 16.476 27.875 ( -23.741 1.210 6.415) 24.622 28.173 ( -5.523 -2.804 -0.655) 6.228 28.422 ( 10.085 -0.216 2.697) 10.442 28.626 ( -1.467 1.006 -2.721) 3.251 28.959 ( 9.615 4.609 1.169) 10.727 29.285 ( -3.352 7.636 -5.604) 10.048 29.488 ( -9.446 -2.071 -1.136) 9.737 29.857 ( -19.590 -6.370 7.488) 21.919 31.742 ( -0.881 -2.318 2.868) 3.791 31.876 ( -4.146 -6.176 1.134) 7.525 32.367 ( -3.276 11.956 -0.032) 12.397 33.127 ( -12.419 -9.658 3.237) 16.062 33.509 ( -7.508 6.838 1.148) 10.220 33.840 ( -10.024 -2.625 -0.190) 10.364 34.270 ( 15.227 0.553 0.649) 15.251 34.420 ( 23.508 -3.951 -3.212) 24.053 36.571 ( 34.175 3.942 -0.067) 34.402 36.924 ( 31.220 -3.898 -5.487) 31.938 37.355 ( -3.159 2.119 1.258) 4.007 37.737 ( 6.256 -9.153 1.385) 11.173 40.739 ( -9.695 8.232 -1.046) 12.761 41.268 ( -11.043 -5.387 0.275) 12.290 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 8.633 0.942 6.681) 10.957 1.200 ( 7.856 3.307 6.866) 10.945 1.339 ( 2.435 -0.928 0.223) 2.615 1.388 ( 1.596 -1.597 -0.524) 2.318 1.452 ( 0.028 -0.677 -1.450) 1.600 1.528 ( 3.621 1.321 -3.243) 5.037 1.581 ( 2.328 -0.638 -0.557) 2.477 1.673 ( 1.929 3.335 0.976) 3.974 1.686 ( 0.117 0.937 -1.695) 1.941 1.713 ( 1.443 2.394 -0.926) 2.945 1.801 ( 2.267 0.550 1.136) 2.595 1.852 ( -0.505 -0.724 0.711) 1.133 1.885 ( 4.055 2.565 2.860) 5.585 1.913 ( -0.795 2.603 -0.077) 2.723 1.967 ( -0.287 2.536 -0.388) 2.581 2.013 ( 2.914 0.550 1.186) 3.193 2.099 ( -0.487 0.033 0.720) 0.870 2.137 ( 5.320 -0.289 -0.411) 5.344 3.860 ( 3.540 3.864 -2.289) 5.719 3.991 ( 5.970 5.479 -0.252) 8.107 4.310 ( 0.213 -4.644 1.485) 4.881 4.554 ( 4.226 -4.880 -0.534) 6.478 4.647 ( 11.724 0.696 -0.249) 11.748 4.882 ( 3.318 5.432 -0.167) 6.368 5.059 ( 5.111 -0.796 0.300) 5.181 5.311 ( -2.409 -11.195 -0.179) 11.453 5.384 ( 2.459 0.504 0.370) 2.538 5.421 ( 2.978 -0.470 -1.743) 3.483 6.501 ( -14.360 4.549 -0.170) 15.064 6.807 ( -15.890 -2.130 0.001) 16.032 7.985 ( 5.624 3.646 -0.795) 6.749 8.302 ( 0.933 1.663 0.519) 1.976 8.422 ( -4.130 -6.055 -0.063) 7.329 8.453 ( -2.287 -1.466 -0.159) 2.721 10.310 ( 2.981 6.888 -0.239) 7.509 10.827 ( -7.729 -5.103 0.107) 9.262 13.173 ( 10.813 3.324 0.157) 11.313 13.264 ( 6.080 0.593 0.250) 6.114 13.761 ( 21.112 0.229 -1.473) 21.164 14.091 ( 15.341 -5.368 -5.704) 17.226 14.501 ( 8.064 11.070 6.687) 15.241 14.573 ( 25.345 4.770 2.644) 25.925 15.009 ( 36.333 -3.749 -1.602) 36.561 15.291 ( 12.734 -6.162 -13.065) 19.257 15.388 ( 14.761 2.104 -1.793) 15.018 15.809 ( 1.247 -5.389 -2.109) 5.920 16.578 ( -12.000 8.590 4.771) 15.510 16.747 ( -14.853 9.829 -2.394) 17.971 17.770 ( 1.475 12.038 -0.270) 12.131 17.969 ( -15.098 7.574 -3.037) 17.162 18.859 ( 8.834 -12.961 2.904) 15.951 18.920 ( -9.651 -11.465 10.555) 18.330 19.197 ( 11.105 -2.301 1.207) 11.405 19.382 ( -1.215 -2.031 4.331) 4.936 19.621 ( 12.767 6.664 6.915) 15.976 19.824 ( -9.683 5.533 8.401) 13.963 22.230 ( 25.035 -9.801 -1.950) 26.956 22.338 ( 23.564 -20.449 -7.776) 32.154 22.575 ( 5.396 7.992 -4.920) 10.826 23.308 ( -2.078 -7.994 -3.612) 9.015 23.971 ( -4.972 10.718 -2.092) 11.999 24.054 ( -10.761 6.591 -4.055) 13.254 24.784 ( 15.342 2.693 -3.206) 15.903 24.977 ( 2.659 -6.897 1.137) 7.479 25.592 ( -2.049 20.800 4.241) 21.327 26.351 ( -16.992 11.384 3.501) 20.751 26.974 ( -2.027 -1.996 -5.648) 6.324 27.406 ( -17.413 -1.373 8.490) 19.421 27.478 ( -10.969 -3.451 -2.071) 11.684 27.938 ( -15.010 -10.573 6.006) 19.317 28.570 ( 5.471 1.734 4.217) 7.122 28.738 ( 9.495 -7.007 -4.668) 12.690 29.094 ( 1.322 -0.270 0.183) 1.362 29.219 ( -1.505 8.064 -5.795) 10.044 29.308 ( -6.783 3.709 3.521) 8.495 29.521 ( -11.661 -3.116 -0.071) 12.070 31.722 ( -0.954 -1.670 2.141) 2.877 31.797 ( -3.237 -3.261 1.830) 4.946 32.323 ( -0.887 7.070 0.367) 7.134 32.819 ( -15.135 -5.046 3.093) 16.251 33.412 ( -2.309 3.357 0.215) 4.081 33.649 ( -7.985 -2.245 -0.756) 8.328 34.660 ( 20.868 1.340 0.306) 20.913 34.893 ( 20.385 -4.493 -3.246) 21.125 37.217 ( -0.525 -0.849 0.156) 1.010 37.238 ( -0.649 -0.744 -1.158) 1.522 37.467 ( 40.303 7.607 0.539) 41.018 38.227 ( 38.080 -11.707 -5.347) 40.196 40.442 ( -18.976 7.003 -0.469) 20.232 40.944 ( -19.874 -5.120 0.080) 20.523 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 4.650 0.227 2.116) 5.114 1.318 ( 4.649 -0.701 0.876) 4.783 1.363 ( -0.635 -0.034 0.128) 0.649 1.420 ( 0.948 -2.988 0.934) 3.271 1.500 ( 4.121 2.499 0.292) 4.828 1.576 ( 1.572 1.815 1.216) 2.691 1.650 ( 2.712 0.616 -0.775) 2.887 1.679 ( 2.029 -1.270 -1.418) 2.782 1.722 ( 2.127 1.133 -0.954) 2.592 1.748 ( 1.486 3.589 -1.596) 4.200 1.799 ( -0.093 1.836 -0.510) 1.907 1.819 ( -2.682 -0.368 1.052) 2.905 1.886 ( -1.524 2.339 0.020) 2.792 1.899 ( -2.636 -0.028 -0.284) 2.652 1.959 ( 0.174 3.042 -0.865) 3.168 2.058 ( -2.881 0.790 0.549) 3.037 2.162 ( 7.637 0.879 3.501) 8.447 2.240 ( 3.624 -0.688 0.151) 3.692 3.966 ( 6.492 3.055 -1.063) 7.253 4.144 ( 8.562 -0.193 -0.338) 8.570 4.249 ( -5.303 -3.093 0.932) 6.209 4.508 ( -6.763 -6.673 -0.760) 9.531 4.793 ( 4.200 3.039 0.646) 5.224 5.041 ( -6.333 -3.061 0.559) 7.056 5.138 ( 17.127 3.908 -0.903) 17.591 5.386 ( 1.669 -1.461 -0.145) 2.223 5.487 ( 5.785 0.194 -1.085) 5.889 5.554 ( 18.005 -1.511 0.287) 18.071 6.152 ( -18.885 4.954 -0.308) 19.526 6.436 ( -19.737 -1.578 0.238) 19.802 8.100 ( 5.520 1.526 -0.630) 5.762 8.321 ( -2.726 -2.089 -0.027) 3.435 8.329 ( -1.033 -0.304 0.112) 1.083 8.404 ( -2.307 -0.720 -0.035) 2.417 10.392 ( 4.920 3.056 -0.075) 5.792 10.664 ( -7.809 -3.082 0.062) 8.396 13.358 ( 6.558 3.830 0.240) 7.598 13.399 ( 5.763 3.314 -1.721) 6.867 14.130 ( 13.907 -4.611 -2.713) 14.900 14.321 ( 5.886 -6.306 -5.078) 10.010 14.648 ( 7.416 7.238 3.817) 11.044 14.833 ( 1.946 1.172 -3.674) 4.319 15.684 ( 21.643 -1.402 2.409) 21.822 15.728 ( 18.815 -4.497 0.358) 19.348 15.789 ( 10.288 -3.668 1.584) 11.037 15.910 ( 21.015 -6.497 -6.780) 23.018 16.379 ( -0.081 14.993 4.426) 15.632 16.570 ( 1.573 14.337 -5.276) 15.358 17.529 ( -24.514 7.715 -0.148) 25.700 17.575 ( -23.257 9.145 -1.117) 25.015 18.841 ( 2.785 -8.256 5.632) 10.375 18.977 ( 2.312 -9.689 2.004) 10.161 19.307 ( 0.927 -6.787 6.914) 9.733 19.332 ( -3.402 -7.867 5.260) 10.056 19.858 ( 10.397 10.871 5.754) 16.105 19.906 ( 9.592 6.652 3.869) 12.297 22.627 ( 11.622 -7.861 -4.009) 14.592 22.690 ( 12.678 -12.464 -5.159) 18.512 22.786 ( 13.205 -4.414 -5.456) 14.954 23.235 ( -6.493 -11.432 -4.051) 13.757 23.738 ( -12.989 10.161 -2.292) 16.650 23.825 ( -9.033 7.355 -0.615) 11.665 24.980 ( 4.366 -5.885 2.142) 7.635 25.067 ( 3.589 -8.683 2.264) 9.664 25.656 ( 6.718 25.473 -2.591) 26.471 26.025 ( -13.220 24.114 2.854) 27.648 26.975 ( 2.441 -2.925 -4.264) 5.717 27.200 ( -5.360 -3.846 4.881) 8.206 27.302 ( -3.707 -1.238 1.108) 4.062 27.632 ( -13.716 -12.381 9.859) 20.942 28.686 ( 5.539 1.837 4.217) 7.200 28.919 ( 5.053 -6.839 -6.922) 10.965 28.986 ( -5.245 0.816 4.584) 7.013 29.221 ( -1.741 -0.380 -5.330) 5.620 29.255 ( 0.963 5.311 -1.641) 5.642 29.357 ( -4.628 -0.582 -3.579) 5.879 31.708 ( -0.267 -1.261 1.695) 2.130 31.743 ( -2.007 -1.920 1.854) 3.340 32.331 ( 1.700 3.415 0.470) 3.843 32.554 ( -10.071 -1.726 2.035) 10.418 33.395 ( 0.424 1.145 -0.056) 1.222 33.512 ( -5.285 -1.429 -0.587) 5.506 35.066 ( 16.771 1.087 -0.457) 16.812 35.222 ( 10.536 -2.555 -2.440) 11.113 37.116 ( -5.028 -0.047 0.386) 5.043 37.140 ( -5.768 -0.531 -0.178) 5.795 38.395 ( 44.381 6.239 -0.216) 44.818 39.047 ( 38.573 -9.276 -3.767) 39.851 39.954 ( -28.037 6.496 -0.348) 28.782 40.454 ( -27.256 -5.370 -0.528) 27.785 ======================= Grid point 103 (40/60) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -1.867 -0.003 -0.464) 1.923 1.333 ( 1.867 -0.003 -0.464) 1.923 1.403 ( -2.667 -2.404 0.512) 3.627 1.403 ( 2.667 -2.404 0.512) 3.627 1.565 ( -2.169 2.913 0.978) 3.761 1.565 ( 2.169 2.913 0.978) 3.761 1.726 ( -1.597 -0.655 1.036) 2.013 1.726 ( 1.597 -0.655 1.036) 2.013 1.744 ( -1.596 0.565 -0.343) 1.728 1.744 ( 1.596 0.565 -0.343) 1.728 1.798 ( -3.963 0.094 -1.721) 4.322 1.798 ( 3.963 0.094 -1.721) 4.322 1.847 ( -1.511 3.416 -0.071) 3.736 1.847 ( 1.511 3.416 -0.071) 3.736 1.993 ( -2.828 2.194 -0.311) 3.593 1.993 ( 2.828 2.194 -0.311) 3.593 2.263 ( -1.778 -0.343 1.299) 2.229 2.263 ( 1.778 -0.343 1.299) 2.229 4.113 ( -7.300 0.648 0.001) 7.328 4.113 ( 7.300 0.648 0.001) 7.328 4.333 ( -9.324 -4.879 -0.536) 10.537 4.333 ( 9.324 -4.879 -0.536) 10.537 4.901 ( -6.344 -0.078 0.578) 6.371 4.901 ( 6.344 -0.078 0.578) 6.371 5.365 ( -4.008 0.939 -0.435) 4.140 5.365 ( 4.008 0.939 -0.435) 4.140 5.740 ( -18.241 3.391 -0.569) 18.562 5.740 ( 18.241 3.391 -0.569) 18.562 6.001 ( -21.487 -1.119 0.337) 21.519 6.001 ( 21.487 -1.119 0.337) 21.519 8.213 ( -5.436 -0.757 -0.425) 5.505 8.213 ( 5.436 -0.757 -0.425) 5.505 8.360 ( -1.892 0.098 0.120) 1.899 8.360 ( 1.892 0.098 0.120) 1.899 10.512 ( -6.676 -0.351 0.020) 6.685 10.512 ( 6.676 -0.351 0.020) 6.685 13.446 ( -1.484 4.496 -1.194) 4.883 13.446 ( 1.484 4.496 -1.194) 4.883 14.327 ( -4.937 -7.164 -3.797) 9.493 14.327 ( 4.937 -7.164 -3.797) 9.493 14.790 ( -5.304 2.833 -0.713) 6.055 14.790 ( 5.304 2.833 -0.713) 6.055 15.858 ( -3.685 -0.751 2.445) 4.485 15.858 ( 3.685 -0.751 2.445) 4.485 15.988 ( -8.985 -3.162 -0.282) 9.530 15.988 ( 8.985 -3.162 -0.282) 9.530 16.863 ( -21.277 6.659 -1.671) 22.358 16.863 ( 21.277 6.659 -1.671) 22.358 17.008 ( -17.489 13.468 -1.279) 22.111 17.008 ( 17.489 13.468 -1.279) 22.111 18.942 ( -4.830 -7.191 1.939) 8.877 18.942 ( 4.830 -7.191 1.939) 8.877 19.304 ( -0.595 -8.073 7.910) 11.318 19.304 ( 0.595 -8.073 7.910) 11.318 19.999 ( -1.464 8.043 3.887) 9.052 19.999 ( 1.464 8.043 3.887) 9.052 22.799 ( -3.436 -10.308 -5.391) 12.129 22.799 ( 3.436 -10.308 -5.391) 12.129 23.026 ( -11.133 -7.246 -4.342) 13.975 23.026 ( 11.133 -7.246 -4.342) 13.975 23.662 ( -4.622 6.433 -0.066) 7.922 23.662 ( 4.622 6.433 -0.066) 7.922 25.059 ( -3.379 -8.047 1.693) 8.890 25.059 ( 3.379 -8.047 1.693) 8.890 25.812 ( -8.225 27.361 -0.160) 28.570 25.812 ( 8.225 27.361 -0.160) 28.570 27.070 ( -6.197 -2.196 -2.272) 6.956 27.070 ( 6.197 -2.196 -2.272) 6.956 27.386 ( -9.505 -8.038 8.942) 15.327 27.386 ( 9.505 -8.038 8.942) 15.327 28.805 ( -6.441 1.417 3.425) 7.432 28.805 ( 6.441 1.417 3.425) 7.432 29.108 ( -7.594 -5.116 -5.793) 10.835 29.108 ( 7.594 -5.116 -5.793) 10.835 29.299 ( -2.280 2.958 -2.909) 4.734 29.299 ( 2.280 2.958 -2.909) 4.734 31.714 ( -0.842 -1.327 1.672) 2.295 31.714 ( 0.842 -1.327 1.672) 2.295 32.399 ( -5.119 0.791 1.055) 5.286 32.399 ( 5.119 0.791 1.055) 5.286 33.428 ( -2.819 -0.304 -0.283) 2.849 33.428 ( 2.819 -0.304 -0.283) 2.849 35.294 ( -4.088 -0.333 -1.497) 4.367 35.294 ( 4.088 -0.333 -1.497) 4.367 37.064 ( -0.697 -0.339 -0.020) 0.775 37.064 ( 0.697 -0.339 -0.020) 0.775 39.245 ( -36.296 4.842 -0.257) 36.618 39.245 ( 36.296 4.842 -0.257) 36.618 39.827 ( -32.451 -5.547 -1.691) 32.965 39.827 ( 32.451 -5.547 -1.691) 32.965 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 5.237 5.730) 7.763 1.061 ( 0.000 12.095 9.146) 15.163 1.116 ( 0.000 -7.174 0.644) 7.203 1.300 ( 0.000 -10.717 4.242) 11.526 1.400 ( 0.000 2.108 1.082) 2.370 1.446 ( 0.000 -2.100 2.140) 2.998 1.520 ( 0.000 3.329 -5.487) 6.418 1.610 ( 0.000 -4.892 -4.558) 6.686 1.666 ( 0.000 1.548 2.526) 2.962 1.673 ( 0.000 1.204 4.368) 4.531 1.795 ( 0.000 5.417 -0.047) 5.417 1.826 ( 0.000 1.270 -1.703) 2.124 1.908 ( 0.000 1.913 -1.295) 2.310 1.959 ( 0.000 -1.981 1.648) 2.577 1.997 ( 0.000 3.092 0.390) 3.117 2.036 ( 0.000 -0.908 -0.872) 1.260 2.050 ( 0.000 2.374 -0.331) 2.397 2.082 ( 0.000 0.189 1.244) 1.259 3.932 ( 0.000 8.954 -1.198) 9.034 4.138 ( 0.000 3.446 0.520) 3.485 4.145 ( 0.000 -7.480 1.609) 7.651 4.208 ( 0.000 -3.152 0.241) 3.161 4.358 ( 0.000 19.989 -1.672) 20.059 4.866 ( 0.000 -21.313 -1.744) 21.385 5.026 ( 0.000 4.575 -0.230) 4.581 5.133 ( 0.000 -8.576 0.283) 8.580 5.305 ( 0.000 0.679 0.260) 0.727 5.316 ( 0.000 -0.452 0.345) 0.568 6.921 ( 0.000 6.630 -0.200) 6.633 7.067 ( 0.000 -7.273 -0.191) 7.276 8.015 ( 0.000 11.596 -0.854) 11.627 8.260 ( 0.000 -11.067 -0.123) 11.068 8.371 ( 0.000 2.475 0.005) 2.475 8.446 ( 0.000 -3.741 -0.128) 3.743 10.542 ( 0.000 15.092 -0.160) 15.093 10.830 ( 0.000 -12.627 0.140) 12.628 12.962 ( 0.000 4.865 1.303) 5.037 13.048 ( 0.000 -3.199 2.047) 3.798 13.254 ( 0.000 7.258 0.330) 7.265 13.403 ( 0.000 -6.833 -2.423) 7.250 13.874 ( 0.000 5.808 -2.683) 6.398 13.985 ( 0.000 -4.827 -1.151) 4.962 14.787 ( 0.000 21.067 -1.606) 21.128 15.082 ( 0.000 9.396 0.957) 9.445 15.175 ( 0.000 -15.297 -15.623) 21.865 15.350 ( 0.000 -16.706 0.868) 16.728 17.183 ( 0.000 11.883 0.509) 11.894 17.354 ( 0.000 -3.131 -1.468) 3.458 17.850 ( 0.000 19.824 -0.001) 19.824 18.191 ( 0.000 -12.846 -0.992) 12.884 18.493 ( 0.000 16.083 -1.770) 16.180 18.891 ( 0.000 -20.773 1.054) 20.800 18.896 ( 0.000 3.980 0.658) 4.034 19.008 ( 0.000 -6.286 1.753) 6.526 20.169 ( 0.000 14.316 11.358) 18.274 20.583 ( 0.000 -24.657 13.573) 28.146 20.895 ( 0.000 11.618 0.507) 11.629 21.139 ( 0.000 -11.623 -0.216) 11.625 22.817 ( 0.000 19.921 -7.223) 21.191 23.196 ( 0.000 -15.167 -5.068) 15.991 23.940 ( 0.000 0.426 0.134) 0.447 23.952 ( 0.000 -0.649 -0.230) 0.689 24.835 ( 0.000 17.102 -9.054) 19.351 25.037 ( 0.000 -4.507 -4.811) 6.592 26.120 ( 0.000 20.706 3.917) 21.073 26.564 ( 0.000 -21.176 6.554) 22.167 27.141 ( 0.000 13.813 -8.699) 16.324 27.493 ( 0.000 -19.338 -8.547) 21.143 28.189 ( 0.000 0.458 -0.113) 0.472 28.192 ( 0.000 0.010 -0.169) 0.169 28.429 ( 0.000 9.193 0.052) 9.193 28.622 ( 0.000 -9.064 0.027) 9.064 29.104 ( 0.000 17.653 2.580) 17.841 29.391 ( 0.000 -7.937 -2.984) 8.479 29.576 ( 0.000 8.099 2.792) 8.567 29.839 ( 0.000 -15.088 2.809) 15.347 31.720 ( 0.000 0.351 1.213) 1.263 31.780 ( 0.000 -5.405 -0.140) 5.407 32.725 ( 0.000 14.741 0.458) 14.748 33.010 ( 0.000 -13.328 1.944) 13.469 33.780 ( 0.000 6.737 1.710) 6.951 33.903 ( 0.000 -5.240 1.195) 5.375 34.092 ( 0.000 0.156 0.377) 0.409 34.096 ( 0.000 -0.181 0.501) 0.532 36.268 ( 0.000 5.464 0.113) 5.465 36.383 ( 0.000 -5.482 0.031) 5.482 37.452 ( 0.000 4.204 2.280) 4.782 37.561 ( 0.000 -6.531 3.556) 7.436 41.041 ( 0.000 10.110 -1.621) 10.239 41.235 ( 0.000 -8.721 -0.474) 8.734 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 4.760 4.272 4.478) 7.808 1.113 ( 4.235 -0.057 3.589) 5.551 1.220 ( 8.172 3.444 4.822) 10.094 1.364 ( 1.813 -4.375 4.662) 6.645 1.407 ( 3.876 -2.435 0.018) 4.577 1.430 ( -0.784 -2.076 0.814) 2.363 1.539 ( 1.581 3.511 -5.497) 6.712 1.621 ( 0.746 -4.154 -3.664) 5.589 1.691 ( 2.041 1.771 2.249) 3.516 1.709 ( 3.019 0.694 3.253) 4.492 1.812 ( 1.246 3.780 -1.108) 4.131 1.833 ( 0.723 0.506 -1.072) 1.389 1.916 ( 0.975 2.856 0.612) 3.079 1.962 ( 0.316 -1.327 1.199) 1.816 2.001 ( 0.119 2.986 -0.068) 2.989 2.030 ( -0.306 0.979 -0.290) 1.065 2.062 ( 1.237 0.865 -0.125) 1.514 2.089 ( 0.852 -0.459 1.432) 1.729 3.941 ( 1.004 8.741 -0.978) 8.853 4.141 ( -0.301 -3.782 1.310) 4.014 4.163 ( 1.574 4.471 0.168) 4.743 4.300 ( 7.349 -4.817 0.038) 8.787 4.463 ( 10.596 14.032 -1.168) 17.622 4.868 ( 1.387 -18.332 -1.346) 18.434 5.004 ( -1.877 4.652 -0.060) 5.017 5.109 ( -2.207 -8.239 0.360) 8.537 5.339 ( 2.638 0.314 -0.045) 2.657 5.345 ( 2.707 -0.324 -0.062) 2.727 6.842 ( -7.553 6.460 -0.232) 9.942 6.977 ( -8.419 -6.384 -0.257) 10.569 8.041 ( 2.262 10.194 -0.740) 10.468 8.263 ( 0.130 -10.403 -0.153) 10.405 8.365 ( -0.454 2.612 0.054) 2.652 8.436 ( -0.944 -3.424 -0.100) 3.553 10.521 ( -1.666 13.595 -0.152) 13.698 10.783 ( -4.078 -11.534 0.083) 12.234 13.043 ( 7.371 3.994 1.055) 8.449 13.112 ( 5.787 -2.722 1.893) 6.669 13.448 ( 16.482 7.218 -0.578) 18.003 13.599 ( 16.504 -7.285 -2.970) 18.283 14.110 ( 22.192 6.346 -1.293) 23.118 14.231 ( 22.903 -5.302 -0.075) 23.509 14.780 ( 0.532 17.269 -2.546) 17.464 15.079 ( -3.269 -10.235 -10.081) 14.733 15.223 ( 9.744 6.810 -1.159) 11.944 15.477 ( 8.815 -14.868 -2.433) 17.455 17.043 ( -11.274 11.095 1.405) 15.880 17.177 ( -13.626 -0.566 -1.172) 13.688 17.967 ( 8.261 18.454 -0.166) 20.219 18.306 ( 5.199 -11.736 -0.063) 12.836 18.447 ( -1.853 11.249 -1.036) 11.447 18.793 ( -7.222 -18.482 1.588) 19.906 19.010 ( 9.797 4.966 0.337) 10.989 19.150 ( 10.157 -7.981 1.459) 13.000 19.897 ( -15.944 13.174 13.629) 24.769 20.142 ( -21.384 -8.396 11.825) 25.838 21.437 ( 30.914 -5.346 -0.574) 31.379 21.494 ( 26.049 -8.361 -1.264) 27.387 22.805 ( -0.670 18.028 -6.632) 19.221 23.154 ( -3.175 -14.538 -5.070) 15.720 24.061 ( 8.471 1.410 -0.345) 8.595 24.079 ( 9.447 -0.273 -0.720) 9.478 24.813 ( -1.334 12.487 -6.242) 14.024 24.962 ( -6.199 -3.544 -3.025) 7.755 26.084 ( -2.676 21.623 2.383) 21.918 26.507 ( -4.595 -17.865 5.164) 19.156 27.109 ( -2.837 12.779 -6.810) 14.755 27.427 ( -5.342 -16.548 -5.362) 18.196 27.959 ( -21.524 6.115 0.494) 22.382 28.086 ( -13.539 -5.657 -1.218) 14.724 28.465 ( 5.318 3.904 2.321) 6.994 28.563 ( -1.182 -5.157 0.975) 5.379 29.141 ( 2.123 11.188 0.427) 11.395 29.348 ( -3.508 -7.417 -2.333) 8.530 29.499 ( -5.939 8.752 1.022) 10.626 29.695 ( -11.266 -9.267 3.486) 14.998 31.714 ( -0.562 0.201 1.292) 1.423 31.762 ( -1.465 -4.378 0.412) 4.635 32.637 ( -6.942 13.689 1.923) 15.468 32.903 ( -9.404 -12.233 2.949) 15.709 33.646 ( -9.077 6.413 0.682) 11.134 33.763 ( -9.734 -4.886 0.181) 10.893 34.291 ( 16.860 1.663 0.216) 16.943 34.341 ( 19.919 -3.344 -0.878) 20.217 36.680 ( 34.578 6.445 -1.034) 35.189 36.815 ( 33.815 -6.442 -3.049) 34.557 37.423 ( -2.089 4.752 2.337) 5.693 37.552 ( 1.178 -8.020 3.451) 8.810 40.931 ( -10.495 9.896 -1.183) 14.473 41.122 ( -10.722 -8.596 -0.334) 13.746 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 6.895 2.447 2.198) 7.640 1.215 ( 5.024 -2.115 0.784) 5.507 1.348 ( 2.578 1.668 4.325) 5.304 1.370 ( 0.120 -0.493 1.822) 1.891 1.451 ( 4.002 1.672 -0.530) 4.370 1.518 ( 4.768 -3.360 1.228) 5.960 1.582 ( 2.651 1.925 -3.499) 4.793 1.635 ( 0.659 -3.013 -2.113) 3.739 1.731 ( 1.394 2.620 1.064) 3.153 1.769 ( 1.967 -0.235 0.473) 2.036 1.829 ( 0.413 1.377 -0.910) 1.701 1.842 ( -0.283 -0.110 -0.423) 0.521 1.946 ( 0.450 1.651 0.542) 1.795 1.954 ( -1.417 0.761 -0.432) 1.665 2.015 ( 1.071 2.775 -0.039) 2.974 2.042 ( 2.464 0.842 1.302) 2.911 2.104 ( 2.225 1.141 1.452) 2.892 2.131 ( 4.174 -0.636 1.717) 4.558 3.979 ( 2.738 7.659 -0.616) 8.157 4.137 ( 0.152 -1.139 0.781) 1.390 4.188 ( 0.771 3.262 -0.188) 3.357 4.399 ( 0.279 -10.155 -0.543) 10.173 4.762 ( 15.224 9.998 -0.434) 18.219 4.977 ( 1.574 3.823 -0.030) 4.135 5.014 ( 13.855 -9.842 -0.545) 17.003 5.047 ( -3.649 -7.010 0.452) 7.916 5.397 ( 3.030 0.703 0.005) 3.110 5.411 ( 3.239 -0.591 -0.701) 3.367 6.615 ( -14.071 6.210 -0.255) 15.382 6.734 ( -14.779 -4.988 -0.234) 15.600 8.096 ( 2.796 7.150 -0.594) 7.700 8.260 ( -0.576 -8.292 -0.246) 8.315 8.356 ( -0.364 2.526 0.150) 2.557 8.411 ( -1.383 -2.557 -0.026) 2.907 10.487 ( -1.337 9.838 -0.097) 9.929 10.682 ( -5.256 -8.817 0.032) 10.265 13.238 ( 10.585 2.580 0.818) 10.926 13.269 ( 8.881 -0.437 0.710) 8.920 13.816 ( 16.751 5.254 -2.060) 17.676 13.954 ( 15.327 -7.530 -3.870) 17.509 14.664 ( 21.490 5.404 0.466) 22.164 14.710 ( 9.925 3.700 2.773) 10.949 14.976 ( 29.183 2.890 -4.814) 29.719 15.122 ( 14.456 -9.112 -10.178) 19.890 15.474 ( 13.184 6.925 0.763) 14.912 15.655 ( 7.846 -9.536 -1.785) 12.478 16.798 ( -10.961 10.461 3.315) 15.510 16.896 ( -11.749 2.107 -1.191) 11.995 18.059 ( -3.845 14.214 0.608) 14.737 18.157 ( -14.875 8.242 -1.521) 17.074 18.561 ( 6.352 -11.583 3.782) 13.741 18.643 ( -2.638 -14.585 2.094) 14.969 19.193 ( 4.378 2.413 1.885) 5.343 19.285 ( 0.014 -5.841 2.034) 6.185 19.793 ( 7.351 8.435 10.449) 15.309 19.895 ( -0.229 -0.418 10.813) 10.823 22.014 ( 24.054 -7.440 -3.250) 25.388 22.034 ( 24.150 -8.074 -2.920) 25.631 22.807 ( 1.099 13.684 -5.450) 14.771 23.088 ( -3.036 -13.062 -4.844) 14.259 24.123 ( -4.966 4.279 -2.386) 6.976 24.150 ( -6.169 1.784 -2.723) 6.976 24.835 ( 3.986 2.093 0.640) 4.547 24.879 ( 0.526 -2.819 2.104) 3.556 26.065 ( 2.152 23.263 -1.233) 23.395 26.430 ( -1.534 -9.063 3.226) 9.741 27.029 ( -5.171 11.243 -1.958) 12.529 27.306 ( -6.618 -11.803 1.752) 13.645 27.477 ( -19.777 6.406 -1.563) 20.848 27.679 ( -21.459 -12.868 0.594) 25.029 28.604 ( 6.485 1.419 1.773) 6.871 28.640 ( 7.499 -2.759 -1.442) 8.120 29.147 ( -2.377 5.189 -0.951) 5.786 29.266 ( -4.483 -4.910 -2.913) 7.259 29.388 ( -3.950 5.584 -0.247) 6.844 29.468 ( -9.011 -2.369 2.628) 9.681 31.700 ( -0.687 -0.005 1.340) 1.506 31.730 ( -1.487 -2.790 1.110) 3.351 32.497 ( -5.726 9.339 2.046) 11.144 32.680 ( -10.631 -8.259 2.954) 13.782 33.496 ( -5.102 4.526 -0.212) 6.824 33.584 ( -7.000 -3.937 -0.553) 8.051 34.705 ( 21.251 3.182 -0.352) 21.490 34.790 ( 21.281 -4.997 -1.588) 21.917 37.210 ( 0.592 0.178 -0.569) 0.840 37.221 ( -0.029 -0.802 -0.980) 1.267 37.671 ( 39.208 12.154 0.517) 41.051 37.947 ( 39.346 -14.538 -1.198) 41.963 40.616 ( -19.763 9.408 -0.581) 21.896 40.802 ( -19.912 -8.491 -0.239) 21.648 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 4.471 0.658 0.573) 4.555 1.302 ( 3.356 -0.807 -0.440) 3.479 1.360 ( -0.771 -0.147 0.287) 0.836 1.370 ( 0.352 -1.471 0.709) 1.670 1.559 ( 4.568 2.837 1.516) 5.587 1.595 ( 2.675 -0.315 0.945) 2.855 1.654 ( 3.720 -0.204 -0.332) 3.740 1.659 ( 2.581 -0.673 -0.819) 2.790 1.748 ( 0.473 1.597 0.150) 1.673 1.775 ( -0.980 -0.593 -0.522) 1.258 1.818 ( -1.774 0.847 -0.183) 1.975 1.836 ( -0.331 -0.073 -0.311) 0.460 1.917 ( -1.665 1.770 -0.463) 2.473 1.928 ( -1.289 0.982 -0.140) 1.627 2.024 ( 0.119 2.741 -0.361) 2.767 2.060 ( -0.984 -0.839 0.214) 1.310 2.197 ( 5.205 2.106 2.478) 6.137 2.226 ( 3.854 -0.789 1.159) 4.101 4.050 ( 3.941 4.951 -0.393) 6.340 4.150 ( 0.720 -3.474 0.339) 3.564 4.196 ( 0.337 3.095 -0.546) 3.160 4.338 ( -4.782 -8.957 -0.766) 10.182 4.875 ( 0.332 4.648 0.543) 4.691 4.967 ( -3.845 -4.140 0.552) 5.677 5.232 ( 15.425 4.955 -0.516) 16.209 5.328 ( 9.448 -4.130 -0.335) 10.317 5.498 ( 8.462 0.941 -0.437) 8.525 5.523 ( 13.217 -1.442 -0.011) 13.295 6.271 ( -18.824 6.079 -0.257) 19.783 6.378 ( -19.249 -4.158 -0.088) 19.693 8.151 ( 2.498 3.521 -0.505) 4.347 8.237 ( -1.533 -4.643 -0.342) 4.902 8.353 ( 0.140 1.489 0.185) 1.506 8.383 ( -1.239 -1.332 0.068) 1.821 10.476 ( 0.365 4.940 -0.021) 4.954 10.579 ( -4.447 -4.946 0.033) 6.652 13.436 ( 7.827 3.059 0.185) 8.406 13.456 ( 7.821 1.303 -0.676) 7.958 14.089 ( 9.314 1.218 -2.283) 9.667 14.176 ( 5.728 -6.715 -3.334) 9.435 14.776 ( 2.180 5.062 -3.094) 6.321 14.843 ( 1.043 -1.132 -4.911) 5.146 15.639 ( 26.190 -0.489 0.602) 26.202 15.682 ( 23.931 -4.209 -0.797) 24.311 15.735 ( 11.720 2.153 2.162) 12.110 15.805 ( 7.645 -4.243 -0.875) 8.787 16.685 ( 4.448 11.922 2.619) 12.991 16.774 ( 3.135 3.780 -1.802) 5.232 17.717 ( -24.400 8.745 0.396) 25.923 17.762 ( -24.536 5.977 1.228) 25.283 18.660 ( 6.459 -5.548 2.824) 8.971 18.737 ( 5.065 -11.372 2.030) 12.613 19.197 ( -1.839 -2.284 3.373) 4.469 19.217 ( -3.821 -3.816 4.620) 7.107 20.023 ( 10.567 5.173 7.024) 13.703 20.040 ( 9.121 3.986 7.138) 12.249 22.412 ( 13.978 -6.967 -3.795) 16.073 22.437 ( 13.850 -8.727 -3.556) 16.752 22.855 ( 3.461 6.919 -4.529) 8.965 23.024 ( -3.433 -9.399 -4.635) 11.027 23.897 ( -12.382 5.014 -2.232) 13.544 23.928 ( -11.613 2.004 -2.348) 12.017 24.918 ( 3.212 -0.746 3.059) 4.498 24.944 ( 3.033 -3.456 2.848) 5.409 26.180 ( 7.979 23.793 -1.870) 25.165 26.442 ( 0.409 7.341 3.381) 8.093 26.887 ( -5.860 1.927 1.711) 6.402 27.125 ( -9.426 -7.722 6.108) 13.630 27.270 ( -4.242 -1.341 -4.011) 5.990 27.332 ( -9.275 -11.889 -0.857) 15.103 28.731 ( 5.712 2.567 0.345) 6.272 28.800 ( 6.656 -4.501 -3.804) 8.890 29.045 ( -5.692 4.659 0.336) 7.363 29.153 ( -6.299 -5.210 -3.645) 8.950 29.340 ( -1.060 2.444 -0.247) 2.675 29.359 ( -2.128 0.205 1.038) 2.376 31.689 ( -0.324 -0.282 1.340) 1.407 31.703 ( -1.020 -1.615 1.353) 2.341 32.416 ( -2.050 4.502 1.329) 5.122 32.500 ( -6.456 -3.548 1.905) 7.609 33.428 ( -1.678 2.062 -0.317) 2.677 33.473 ( -3.848 -2.227 -0.505) 4.475 35.101 ( 15.452 2.352 -0.927) 15.658 35.159 ( 13.164 -3.240 -1.664) 13.659 37.118 ( -5.287 0.281 0.169) 5.298 37.127 ( -5.584 -0.624 -0.043) 5.619 38.573 ( 43.213 10.889 -0.698) 44.569 38.817 ( 41.067 -12.473 -1.894) 42.961 40.119 ( -28.024 9.204 -0.447) 29.500 40.306 ( -27.778 -8.758 -0.469) 29.129 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -1.148 0.227 -0.491) 1.269 1.336 ( 1.148 0.227 -0.491) 1.269 1.363 ( -1.382 -1.274 -0.008) 1.880 1.363 ( 1.382 -1.274 -0.008) 1.880 1.612 ( -0.974 1.390 1.202) 2.080 1.612 ( 0.974 1.390 1.202) 2.080 1.715 ( -0.821 -0.335 1.632) 1.858 1.715 ( 0.821 -0.335 1.632) 1.858 1.752 ( -0.396 0.171 -0.479) 0.645 1.752 ( 0.396 0.171 -0.479) 0.645 1.801 ( -1.824 0.105 -1.685) 2.485 1.801 ( 1.824 0.105 -1.685) 2.485 1.908 ( -0.589 1.885 0.082) 1.977 1.908 ( 0.589 1.885 0.082) 1.977 2.034 ( -1.066 1.213 -0.047) 1.615 2.034 ( 1.066 1.213 -0.047) 1.615 2.262 ( -0.713 0.225 1.283) 1.485 2.262 ( 0.713 0.225 1.283) 1.485 4.127 ( -2.955 0.479 -0.182) 2.999 4.127 ( 2.955 0.479 -0.182) 2.999 4.241 ( -3.969 -3.037 -0.667) 5.042 4.241 ( 3.969 -3.037 -0.667) 5.042 4.900 ( -2.334 -0.010 0.621) 2.415 4.900 ( 2.334 -0.010 0.621) 2.415 5.379 ( -1.300 0.349 -0.405) 1.406 5.379 ( 1.300 0.349 -0.405) 1.406 5.814 ( -12.929 2.899 -0.031) 13.250 5.814 ( 12.929 2.899 -0.031) 13.250 5.971 ( -13.896 -1.485 -0.194) 13.977 5.971 ( 13.896 -1.485 -0.194) 13.977 8.199 ( -2.111 -0.479 -0.424) 2.206 8.199 ( 2.111 -0.479 -0.424) 2.206 8.362 ( -0.732 0.064 0.147) 0.749 8.362 ( 0.732 0.064 0.147) 0.749 10.506 ( -2.558 -0.209 0.024) 2.566 10.506 ( 2.558 -0.209 0.024) 2.566 13.534 ( -0.824 3.011 -0.818) 3.227 13.534 ( 0.824 3.011 -0.818) 3.227 14.207 ( -2.231 -3.576 -2.486) 4.894 14.207 ( 2.231 -3.576 -2.486) 4.894 14.824 ( -2.157 0.620 -4.585) 5.105 14.824 ( 2.157 0.620 -4.585) 5.105 15.861 ( -0.651 0.915 1.619) 1.971 15.861 ( 0.651 0.915 1.619) 1.971 15.920 ( -2.417 -2.823 1.461) 3.993 15.920 ( 2.417 -2.823 1.461) 3.993 16.995 ( -5.616 4.307 -1.821) 7.308 16.995 ( 5.616 4.307 -1.821) 7.308 17.279 ( -4.487 9.777 2.144) 10.969 17.279 ( 4.487 9.777 2.144) 10.969 18.769 ( -2.503 -7.149 1.575) 7.737 18.769 ( 2.503 -7.149 1.575) 7.737 19.173 ( -0.449 -3.699 4.766) 6.050 19.173 ( 0.449 -3.699 4.766) 6.050 20.144 ( -0.303 4.608 6.278) 7.793 20.144 ( 0.303 4.608 6.278) 7.793 22.574 ( -0.981 -7.851 -3.533) 8.665 22.574 ( 0.981 -7.851 -3.533) 8.665 22.940 ( -4.456 -1.745 -4.566) 6.614 22.940 ( 4.456 -1.745 -4.566) 6.614 23.770 ( -1.528 3.154 -1.878) 3.976 23.770 ( 1.528 3.154 -1.878) 3.976 24.963 ( -0.946 -2.056 2.540) 3.402 24.963 ( 0.946 -2.056 2.540) 3.402 26.354 ( -7.912 23.018 1.267) 24.373 26.354 ( 7.912 23.018 1.267) 24.373 26.921 ( -8.110 -12.954 3.135) 15.601 26.921 ( 8.110 -12.954 3.135) 15.601 27.247 ( -1.577 -3.231 -1.166) 3.780 27.247 ( 1.577 -3.231 -1.166) 3.780 28.834 ( -3.725 1.018 -2.071) 4.381 28.834 ( 3.725 1.018 -2.071) 4.381 29.028 ( -4.801 -2.255 -1.708) 5.573 29.028 ( 4.801 -2.255 -1.708) 5.573 29.336 ( -0.499 0.797 0.041) 0.941 29.336 ( 0.499 0.797 0.041) 0.941 31.689 ( -0.344 -0.802 1.358) 1.614 31.689 ( 0.344 -0.802 1.358) 1.614 32.414 ( -1.946 0.469 1.222) 2.345 32.414 ( 1.946 0.469 1.222) 2.345 33.422 ( -1.094 -0.191 -0.348) 1.164 33.422 ( 1.094 -0.191 -0.348) 1.164 35.287 ( -1.548 -0.205 -1.441) 2.125 35.287 ( 1.548 -0.205 -1.441) 2.125 37.058 ( -0.279 -0.206 -0.012) 0.347 37.058 ( 0.279 -0.206 -0.012) 0.347 39.363 ( -23.895 5.366 -0.509) 24.495 39.363 ( 23.895 5.366 -0.509) 24.495 39.695 ( -22.458 -5.796 -1.094) 23.219 39.695 ( 22.458 -5.796 -1.094) 23.219 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 0.000 -0.000) 0.000 1.148 ( 0.000 0.000 -0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.492 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 -0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 -0.000) 0.000 1.858 ( 0.000 0.000 -0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 -0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 12.817 ( 0.000 0.000 0.000) 0.000 13.050 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.597 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.431 ( 0.000 0.000 0.000) 0.000 14.956 ( 0.000 0.000 0.000) 0.000 14.999 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 16.904 ( 0.000 0.000 0.000) 0.000 17.204 ( 0.000 0.000 0.000) 0.000 17.269 ( 0.000 0.000 0.000) 0.000 18.153 ( 0.000 0.000 0.000) 0.000 18.334 ( 0.000 0.000 0.000) 0.000 18.893 ( 0.000 0.000 0.000) 0.000 19.202 ( 0.000 0.000 0.000) 0.000 19.320 ( 0.000 0.000 0.000) 0.000 20.276 ( 0.000 0.000 0.000) 0.000 20.637 ( 0.000 0.000 0.000) 0.000 21.332 ( 0.000 0.000 0.000) 0.000 21.402 ( 0.000 0.000 0.000) 0.000 22.449 ( 0.000 0.000 0.000) 0.000 23.334 ( 0.000 0.000 0.000) 0.000 23.812 ( 0.000 0.000 0.000) 0.000 23.943 ( 0.000 0.000 -0.000) 0.000 23.960 ( 0.000 0.000 0.000) 0.000 25.029 ( 0.000 0.000 0.000) 0.000 25.905 ( 0.000 0.000 0.000) 0.000 26.583 ( 0.000 0.000 0.000) 0.000 27.481 ( 0.000 0.000 0.000) 0.000 27.940 ( 0.000 0.000 0.000) 0.000 28.121 ( 0.000 0.000 0.000) 0.000 28.188 ( 0.000 0.000 0.000) 0.000 28.262 ( 0.000 0.000 0.000) 0.000 28.628 ( 0.000 0.000 0.000) 0.000 28.830 ( 0.000 0.000 0.000) 0.000 29.140 ( 0.000 0.000 0.000) 0.000 29.571 ( 0.000 0.000 0.000) 0.000 30.304 ( 0.000 0.000 0.000) 0.000 31.848 ( 0.000 0.000 0.000) 0.000 32.028 ( 0.000 0.000 -0.000) 0.000 32.198 ( 0.000 0.000 0.000) 0.000 33.467 ( 0.000 0.000 0.000) 0.000 33.520 ( 0.000 0.000 0.000) 0.000 34.024 ( 0.000 0.000 0.000) 0.000 34.091 ( 0.000 0.000 0.000) 0.000 34.107 ( 0.000 0.000 0.000) 0.000 36.142 ( 0.000 0.000 0.000) 0.000 36.511 ( 0.000 0.000 0.000) 0.000 37.380 ( 0.000 0.000 0.000) 0.000 37.805 ( 0.000 0.000 0.000) 0.000 40.736 ( 0.000 0.000 0.000) 0.000 41.448 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 137 (47/60) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 13.618 0.000 0.000) 13.618 1.205 ( 2.447 0.000 0.000) 2.447 1.214 ( 5.869 0.000 -0.000) 5.869 1.229 ( 0.637 0.000 -0.000) 0.637 1.348 ( -0.596 0.000 0.000) 0.596 1.472 ( 3.098 0.000 0.000) 3.098 1.485 ( -1.162 0.000 0.000) 1.162 1.621 ( -1.986 0.000 -0.000) 1.986 1.681 ( -0.363 0.000 0.000) 0.363 1.776 ( -0.730 0.000 -0.000) 0.730 1.810 ( -0.824 0.000 0.000) 0.824 1.812 ( 6.735 0.000 0.000) 6.735 1.865 ( 0.466 0.000 0.000) 0.466 1.872 ( 4.253 0.000 0.000) 4.253 1.928 ( 3.250 0.000 -0.000) 3.250 1.942 ( -2.384 0.000 0.000) 2.384 2.012 ( 0.065 0.000 0.000) 0.065 2.088 ( 2.696 0.000 0.000) 2.696 3.728 ( 1.125 0.000 -0.000) 1.125 3.792 ( 4.781 0.000 -0.000) 4.781 4.171 ( 9.524 0.000 0.000) 9.524 4.396 ( 10.555 0.000 0.000) 10.555 4.657 ( 0.895 0.000 0.000) 0.895 4.796 ( -3.288 0.000 0.000) 3.288 5.020 ( -0.145 0.000 -0.000) 0.145 5.321 ( 2.932 0.000 -0.000) 2.932 5.350 ( 1.913 0.000 0.000) 1.913 5.570 ( -5.455 0.000 0.000) 5.455 6.690 ( -8.116 0.000 -0.000) 8.116 7.115 ( -11.042 0.000 -0.000) 11.042 7.802 ( 6.087 0.000 0.000) 6.087 8.273 ( 0.595 0.000 0.000) 0.595 8.510 ( -1.648 0.000 -0.000) 1.648 8.589 ( -3.572 0.000 0.000) 3.572 10.146 ( 2.937 0.000 0.000) 2.937 11.040 ( -6.224 0.000 0.000) 6.224 12.913 ( 8.582 0.000 -0.000) 8.582 13.211 ( 1.503 0.000 0.000) 1.503 13.285 ( 20.116 0.000 -0.000) 20.116 13.753 ( 13.674 0.000 0.000) 13.674 13.877 ( 26.551 0.000 0.000) 26.551 14.354 ( 24.426 0.000 0.000) 24.426 14.467 ( 3.400 0.000 -0.000) 3.400 14.990 ( -0.084 0.000 0.000) 0.084 15.076 ( 11.111 0.000 0.000) 11.111 15.944 ( -1.433 0.000 -0.000) 1.433 16.723 ( -11.487 0.000 0.000) 11.487 17.034 ( -18.467 0.000 0.000) 18.467 17.419 ( 13.955 0.000 0.000) 13.955 18.072 ( -6.927 0.000 0.000) 6.927 18.653 ( 24.780 0.000 0.000) 24.780 18.937 ( 3.974 0.000 0.000) 3.974 19.313 ( 10.244 0.000 0.000) 10.244 19.321 ( -0.420 0.000 0.000) 0.420 19.910 ( -26.076 0.000 0.000) 26.076 20.227 ( -24.682 0.000 -0.000) 24.682 21.777 ( 27.562 0.000 -0.000) 27.562 21.803 ( 30.365 0.000 0.000) 30.365 22.463 ( 1.533 0.000 -0.000) 1.533 23.341 ( 0.783 0.000 0.000) 0.783 23.811 ( -0.187 0.000 -0.000) 0.187 24.005 ( 3.170 0.000 0.000) 3.170 24.201 ( 21.118 0.000 0.000) 21.118 24.989 ( -2.290 0.000 0.000) 2.290 25.797 ( -10.005 0.000 -0.000) 10.005 26.529 ( -6.714 0.000 0.000) 6.714 27.164 ( -20.112 0.000 0.000) 20.112 27.777 ( -13.190 0.000 -0.000) 13.190 28.017 ( -21.099 0.000 -0.000) 21.099 28.194 ( -0.241 0.000 0.000) 0.241 28.413 ( 19.644 0.000 0.000) 19.644 28.597 ( -2.130 0.000 -0.000) 2.130 28.942 ( 8.606 0.000 0.000) 8.606 29.088 ( -4.392 0.000 0.000) 4.392 29.481 ( -6.289 0.000 -0.000) 6.289 30.026 ( -23.318 0.000 0.000) 23.318 31.823 ( -2.119 0.000 0.000) 2.119 31.956 ( -5.237 0.000 0.000) 5.237 32.207 ( 0.904 0.000 0.000) 0.904 33.297 ( -18.122 0.000 0.000) 18.122 33.416 ( -2.751 0.000 0.000) 2.751 33.863 ( -10.609 0.000 0.000) 10.609 34.274 ( 14.825 0.000 -0.000) 14.825 34.420 ( 23.718 0.000 0.000) 23.718 36.531 ( 33.862 0.000 0.000) 33.862 36.904 ( 28.722 0.000 0.000) 28.722 37.344 ( -3.448 0.000 -0.000) 3.448 37.830 ( 5.550 0.000 0.000) 5.550 40.644 ( -8.891 0.000 0.000) 8.891 41.329 ( -11.241 0.000 0.000) 11.241 ======================= Grid point 139 (48/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 4.212 0.000 0.000) 4.212 1.291 ( 0.560 0.000 0.000) 0.560 1.293 ( 5.130 0.000 -0.000) 5.130 1.360 ( 7.303 0.000 -0.000) 7.303 1.443 ( 9.591 0.000 0.000) 9.591 1.450 ( -1.657 0.000 -0.000) 1.657 1.551 ( 4.252 0.000 0.000) 4.252 1.594 ( -0.340 0.000 -0.000) 0.340 1.683 ( 0.601 0.000 0.000) 0.601 1.721 ( -4.127 0.000 0.000) 4.127 1.792 ( -0.884 0.000 0.000) 0.884 1.872 ( -0.107 0.000 -0.000) 0.107 1.876 ( 0.761 0.000 -0.000) 0.761 1.899 ( -1.895 0.000 0.000) 1.895 1.962 ( 0.697 0.000 0.000) 0.697 2.063 ( 7.057 0.000 0.000) 7.057 2.074 ( 8.776 0.000 -0.000) 8.776 2.109 ( -0.891 0.000 -0.000) 0.891 3.784 ( 4.636 0.000 -0.000) 4.636 3.936 ( 8.952 0.000 -0.000) 8.952 4.358 ( 4.181 0.000 0.000) 4.181 4.600 ( 5.327 0.000 0.000) 5.327 4.691 ( 2.562 0.000 0.000) 2.562 4.788 ( 6.424 0.000 0.000) 6.424 5.072 ( 6.256 0.000 0.000) 6.256 5.378 ( 2.112 0.000 -0.000) 2.112 5.399 ( 2.688 0.000 0.000) 2.688 5.438 ( -5.140 0.000 0.000) 5.140 6.449 ( -14.809 0.000 -0.000) 14.809 6.829 ( -16.189 0.000 -0.000) 16.189 7.939 ( 6.764 0.000 0.000) 6.764 8.291 ( 1.146 0.000 0.000) 1.146 8.465 ( -2.541 0.000 -0.000) 2.541 8.489 ( -5.801 0.000 0.000) 5.801 10.232 ( 5.233 0.000 0.000) 5.233 10.882 ( -8.601 0.000 0.000) 8.601 13.131 ( 11.204 0.000 -0.000) 11.204 13.258 ( 3.003 0.000 0.000) 3.003 13.752 ( 22.469 0.000 -0.000) 22.469 14.076 ( 15.423 0.000 0.000) 15.423 14.505 ( 24.801 0.000 -0.000) 24.801 14.566 ( 5.923 0.000 0.000) 5.923 15.044 ( 39.808 0.000 0.000) 39.808 15.113 ( 19.203 0.000 0.000) 19.203 15.382 ( 17.644 0.000 0.000) 17.644 15.891 ( -3.476 0.000 0.000) 3.476 16.496 ( -10.437 0.000 0.000) 10.437 16.615 ( -20.911 0.000 0.000) 20.911 17.638 ( 4.225 0.000 0.000) 4.225 17.848 ( -15.280 0.000 0.000) 15.280 19.033 ( 4.487 0.000 0.000) 4.487 19.206 ( -13.313 0.000 0.000) 13.313 19.208 ( 26.587 0.000 0.000) 26.587 19.514 ( -6.496 0.000 0.000) 6.496 19.584 ( 14.553 0.000 0.000) 14.553 19.809 ( -15.119 0.000 -0.000) 15.119 22.341 ( 24.866 0.000 0.000) 24.866 22.372 ( 22.002 0.000 0.000) 22.002 22.536 ( 7.353 0.000 -0.000) 7.353 23.374 ( 2.577 0.000 0.000) 2.577 23.798 ( -1.307 0.000 -0.000) 1.307 23.899 ( -15.410 0.000 0.000) 15.410 24.701 ( 24.103 0.000 0.000) 24.103 25.045 ( 8.592 0.000 0.000) 8.592 25.533 ( -13.798 0.000 -0.000) 13.798 26.216 ( -22.687 0.000 0.000) 22.687 26.906 ( -3.918 0.000 0.000) 3.918 27.486 ( -13.699 0.000 -0.000) 13.699 27.585 ( -15.934 0.000 -0.000) 15.934 28.122 ( -7.681 0.000 0.000) 7.681 28.603 ( 3.965 0.000 0.000) 3.965 28.791 ( 15.939 0.000 -0.000) 15.939 28.992 ( -4.325 0.000 0.000) 4.325 29.112 ( 6.926 0.000 0.000) 6.926 29.357 ( -5.980 0.000 -0.000) 5.980 29.513 ( -22.923 0.000 0.000) 22.923 31.776 ( -2.104 0.000 0.000) 2.104 31.858 ( -4.047 0.000 0.000) 4.047 32.236 ( 1.993 0.000 0.000) 1.993 32.904 ( -17.914 0.000 0.000) 17.914 33.380 ( -0.749 0.000 0.000) 0.749 33.662 ( -8.309 0.000 0.000) 8.309 34.654 ( 20.393 0.000 -0.000) 20.393 34.898 ( 20.341 0.000 0.000) 20.341 37.232 ( 0.715 0.000 0.000) 0.715 37.245 ( -5.846 0.000 -0.000) 5.846 37.382 ( 45.418 0.000 0.000) 45.418 38.275 ( 36.689 0.000 0.000) 36.689 40.363 ( -18.365 0.000 0.000) 18.365 41.000 ( -20.160 0.000 0.000) 20.160 ======================= Grid point 141 (49/60) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.871 0.000 0.000) 0.871 1.360 ( -0.435 0.000 0.000) 0.435 1.369 ( 4.489 0.000 0.000) 4.489 1.461 ( 3.287 0.000 0.000) 3.287 1.465 ( 1.906 0.000 -0.000) 1.906 1.598 ( 1.480 0.000 0.000) 1.480 1.634 ( 4.982 0.000 -0.000) 4.982 1.643 ( 0.955 0.000 0.000) 0.955 1.654 ( 5.769 0.000 0.000) 5.769 1.704 ( 1.366 0.000 0.000) 1.366 1.775 ( -0.636 0.000 0.000) 0.636 1.838 ( -3.023 0.000 -0.000) 3.023 1.858 ( -2.254 0.000 -0.000) 2.254 1.902 ( 1.922 0.000 0.000) 1.922 1.912 ( -4.715 0.000 0.000) 4.715 2.054 ( -4.063 0.000 0.000) 4.063 2.218 ( 5.993 0.000 0.000) 5.993 2.226 ( 5.356 0.000 -0.000) 5.356 3.919 ( 8.164 0.000 0.000) 8.164 4.151 ( 11.386 0.000 -0.000) 11.386 4.293 ( -7.732 0.000 0.000) 7.732 4.571 ( -6.412 0.000 0.000) 6.412 4.770 ( 5.189 0.000 0.000) 5.189 5.082 ( -7.316 0.000 0.000) 7.316 5.082 ( 17.871 0.000 0.000) 17.871 5.398 ( -0.333 0.000 -0.000) 0.333 5.469 ( 4.903 0.000 0.000) 4.903 5.577 ( 18.616 0.000 0.000) 18.616 6.093 ( -19.134 0.000 0.000) 19.134 6.455 ( -19.771 0.000 -0.000) 19.771 8.078 ( 6.710 0.000 0.000) 6.710 8.320 ( 1.667 0.000 0.000) 1.667 8.358 ( -6.694 0.000 0.000) 6.694 8.411 ( -2.615 0.000 -0.000) 2.615 10.358 ( 6.938 0.000 0.000) 6.938 10.697 ( -9.009 0.000 0.000) 9.009 13.324 ( 6.399 0.000 -0.000) 6.399 13.329 ( 3.495 0.000 0.000) 3.495 14.152 ( 15.254 0.000 -0.000) 15.254 14.323 ( 7.374 0.000 0.000) 7.374 14.695 ( 5.891 0.000 0.000) 5.891 14.739 ( 4.204 0.000 0.000) 4.204 15.702 ( 18.246 0.000 0.000) 18.246 15.812 ( 9.310 0.000 0.000) 9.310 15.878 ( 33.668 0.000 0.000) 33.668 15.977 ( 42.672 0.000 0.000) 42.672 16.199 ( -18.488 0.000 0.000) 18.488 16.279 ( -10.995 0.000 0.000) 10.995 17.418 ( -26.635 0.000 0.000) 26.635 17.473 ( -21.155 0.000 0.000) 21.155 19.007 ( -2.449 0.000 0.000) 2.449 19.088 ( 0.167 0.000 -0.000) 0.167 19.496 ( 1.254 0.000 0.000) 1.254 19.596 ( -5.905 0.000 0.000) 5.905 19.682 ( 17.872 0.000 0.000) 17.872 19.847 ( 9.143 0.000 0.000) 9.143 22.626 ( 9.408 0.000 0.000) 9.408 22.747 ( 13.125 0.000 0.000) 13.125 22.842 ( 15.066 0.000 0.000) 15.066 23.458 ( 5.639 0.000 0.000) 5.639 23.464 ( -22.774 0.000 0.000) 22.774 23.738 ( -4.919 0.000 0.000) 4.919 25.112 ( 14.619 0.000 0.000) 14.619 25.242 ( 7.524 0.000 0.000) 7.524 25.315 ( -5.044 0.000 -0.000) 5.044 25.726 ( -22.037 0.000 0.000) 22.037 26.920 ( 3.866 0.000 0.000) 3.866 27.232 ( -10.754 0.000 0.000) 10.754 27.445 ( 2.157 0.000 0.000) 2.157 27.894 ( -13.276 0.000 0.000) 13.276 28.746 ( 8.625 0.000 0.000) 8.625 28.921 ( -2.401 0.000 0.000) 2.401 29.059 ( 9.811 0.000 -0.000) 9.811 29.150 ( -11.492 0.000 0.000) 11.492 29.209 ( 2.209 0.000 0.000) 2.209 29.217 ( -7.667 0.000 0.000) 7.667 31.746 ( -0.660 0.000 0.000) 0.660 31.789 ( -2.605 0.000 0.000) 2.605 32.294 ( 3.717 0.000 0.000) 3.717 32.592 ( -12.021 0.000 0.000) 12.021 33.384 ( 1.129 0.000 0.000) 1.129 33.520 ( -5.576 0.000 0.000) 5.576 35.053 ( 16.596 0.000 -0.000) 16.596 35.218 ( 9.925 0.000 0.000) 9.925 37.123 ( -5.179 0.000 -0.000) 5.179 37.143 ( -5.805 0.000 0.000) 5.805 38.329 ( 44.687 0.000 0.000) 44.687 39.098 ( 39.604 0.000 0.000) 39.604 39.880 ( -28.398 0.000 0.000) 28.398 40.505 ( -27.508 0.000 0.000) 27.508 ======================= Grid point 143 (50/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -1.771 0.000 0.000) 1.771 1.329 ( 1.771 0.000 0.000) 1.771 1.449 ( -2.822 0.000 0.000) 2.822 1.449 ( 2.822 0.000 0.000) 2.822 1.532 ( -3.557 0.000 0.000) 3.557 1.532 ( 3.557 0.000 0.000) 3.557 1.728 ( -0.202 0.000 0.000) 0.202 1.728 ( 0.202 0.000 -0.000) 0.202 1.751 ( -4.832 0.000 -0.000) 4.832 1.751 ( 4.832 0.000 0.000) 4.832 1.780 ( -7.261 0.000 0.000) 7.261 1.780 ( 7.261 0.000 0.000) 7.261 1.797 ( -3.458 0.000 0.000) 3.458 1.797 ( 3.458 0.000 -0.000) 3.458 1.963 ( -4.038 0.000 0.000) 4.038 1.963 ( 4.038 0.000 0.000) 4.038 2.283 ( -0.108 0.000 0.000) 0.108 2.283 ( 0.108 0.000 0.000) 0.108 4.107 ( -9.515 0.000 0.000) 9.515 4.107 ( 9.515 0.000 0.000) 9.515 4.386 ( -10.778 0.000 0.000) 10.778 4.386 ( 10.778 0.000 -0.000) 10.778 4.908 ( -8.062 0.000 0.000) 8.062 4.908 ( 8.062 0.000 0.000) 8.062 5.348 ( -5.783 0.000 0.000) 5.783 5.348 ( 5.783 0.000 -0.000) 5.783 5.693 ( -17.657 0.000 0.000) 17.657 5.693 ( 17.657 0.000 0.000) 17.657 6.019 ( -22.029 0.000 0.000) 22.029 6.019 ( 22.029 0.000 0.000) 22.029 8.218 ( -6.799 0.000 0.000) 6.799 8.218 ( 6.799 0.000 0.000) 6.799 8.360 ( -2.209 0.000 0.000) 2.209 8.360 ( 2.209 0.000 0.000) 2.209 10.517 ( -8.277 0.000 0.000) 8.277 10.517 ( 8.277 0.000 0.000) 8.277 13.380 ( -0.654 0.000 0.000) 0.654 13.380 ( 0.654 0.000 0.000) 0.654 14.358 ( -4.255 0.000 0.000) 4.255 14.358 ( 4.255 0.000 0.000) 4.255 14.775 ( -1.111 0.000 0.000) 1.111 14.775 ( 1.111 0.000 0.000) 1.111 15.898 ( -9.311 0.000 0.000) 9.311 15.898 ( 9.311 0.000 0.000) 9.311 16.026 ( -13.697 0.000 0.000) 13.697 16.026 ( 13.697 0.000 0.000) 13.697 16.741 ( -38.462 0.000 0.000) 38.462 16.741 ( 38.462 0.000 0.000) 38.462 16.835 ( -38.041 0.000 0.000) 38.041 16.835 ( 38.041 0.000 0.000) 38.041 19.044 ( -3.556 0.000 0.000) 3.556 19.044 ( 3.556 0.000 0.000) 3.556 19.527 ( -1.820 0.000 0.000) 1.820 19.527 ( 1.820 0.000 0.000) 1.820 19.910 ( -3.781 0.000 0.000) 3.781 19.910 ( 3.781 0.000 0.000) 3.781 22.826 ( -6.431 0.000 0.000) 6.431 22.826 ( 6.431 0.000 0.000) 6.431 23.088 ( -11.931 0.000 0.000) 11.931 23.088 ( 11.931 0.000 0.000) 11.931 23.600 ( -7.608 0.000 0.000) 7.608 23.600 ( 7.608 0.000 0.000) 7.608 25.294 ( -2.974 0.000 0.000) 2.974 25.294 ( 2.974 0.000 0.000) 2.974 25.374 ( -10.735 0.000 0.000) 10.735 25.374 ( 10.735 0.000 -0.000) 10.735 27.042 ( -7.617 0.000 0.000) 7.617 27.042 ( 7.617 0.000 0.000) 7.617 27.616 ( -12.418 0.000 -0.000) 12.418 27.616 ( 12.418 0.000 0.000) 12.418 28.884 ( -2.697 0.000 0.000) 2.697 28.884 ( 2.697 0.000 -0.000) 2.697 29.068 ( -4.277 0.000 0.000) 4.277 29.068 ( 4.277 0.000 -0.000) 4.277 29.196 ( -3.542 0.000 0.000) 3.542 29.196 ( 3.542 0.000 0.000) 3.542 31.750 ( -1.085 0.000 -0.000) 1.085 31.750 ( 1.085 0.000 0.000) 1.085 32.400 ( -6.870 0.000 0.000) 6.870 32.400 ( 6.870 0.000 0.000) 6.870 33.429 ( -3.262 0.000 -0.000) 3.262 33.429 ( 3.262 0.000 0.000) 3.262 35.281 ( -4.295 0.000 0.000) 4.295 35.281 ( 4.295 0.000 0.000) 4.295 37.068 ( -0.575 0.000 0.000) 0.575 37.068 ( 0.575 0.000 0.000) 0.575 39.191 ( -37.906 0.000 0.000) 37.906 39.191 ( 37.906 0.000 0.000) 37.906 39.865 ( -34.153 0.000 0.000) 34.153 39.865 ( 34.153 0.000 0.000) 34.153 ======================= Grid point 153 (51/60) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.000 6.750 -0.000) 6.750 1.110 ( 0.000 -4.748 0.000) 4.748 1.210 ( 0.000 -1.452 0.000) 1.452 1.265 ( 0.000 2.671 0.000) 2.671 1.339 ( 0.000 2.822 0.000) 2.822 1.495 ( 0.000 -0.793 0.000) 0.793 1.572 ( 0.000 10.277 0.000) 10.277 1.607 ( 0.000 -5.938 -0.000) 5.938 1.669 ( 0.000 -6.812 0.000) 6.812 1.694 ( 0.000 1.043 0.000) 1.043 1.759 ( 0.000 5.187 -0.000) 5.187 1.778 ( 0.000 -1.550 0.000) 1.550 1.883 ( 0.000 -1.131 -0.000) 1.131 1.906 ( 0.000 4.841 0.000) 4.841 1.935 ( 0.000 4.281 0.000) 4.281 2.008 ( 0.000 1.421 0.000) 1.421 2.009 ( 0.000 -0.426 0.000) 0.426 2.064 ( 0.000 2.348 0.000) 2.348 3.759 ( 0.000 4.432 0.000) 4.432 3.882 ( 0.000 13.789 0.000) 13.789 4.086 ( 0.000 2.165 0.000) 2.165 4.258 ( 0.000 -1.622 0.000) 1.622 4.489 ( 0.000 -12.276 0.000) 12.276 4.922 ( 0.000 5.367 0.000) 5.367 5.019 ( 0.000 -1.521 0.000) 1.521 5.292 ( 0.000 0.664 0.000) 0.664 5.327 ( 0.000 -0.195 0.000) 0.195 5.458 ( 0.000 -15.880 0.000) 15.880 6.813 ( 0.000 3.625 0.000) 3.625 7.193 ( 0.000 -4.790 0.000) 4.790 7.804 ( 0.000 7.453 0.000) 7.453 8.291 ( 0.000 2.241 0.000) 2.241 8.505 ( 0.000 -2.160 0.000) 2.160 8.516 ( 0.000 -9.815 0.000) 9.815 10.250 ( 0.000 11.998 0.000) 11.998 11.038 ( 0.000 -7.135 0.000) 7.135 12.866 ( 0.000 4.478 0.000) 4.478 13.075 ( 0.000 1.738 0.000) 1.738 13.201 ( 0.000 0.998 0.000) 0.998 13.482 ( 0.000 -5.298 0.000) 5.298 13.713 ( 0.000 6.318 0.000) 6.318 14.062 ( 0.000 -3.105 0.000) 3.105 14.553 ( 0.000 10.751 0.000) 10.751 14.979 ( 0.000 2.699 0.000) 2.699 15.023 ( 0.000 1.018 0.000) 1.018 15.733 ( 0.000 -18.005 0.000) 18.005 16.992 ( 0.000 8.219 0.000) 8.219 17.314 ( 0.000 3.472 0.000) 3.472 17.437 ( 0.000 19.090 0.000) 19.090 18.232 ( 0.000 7.483 0.000) 7.483 18.319 ( 0.000 -2.472 0.000) 2.472 18.875 ( 0.000 -0.920 0.000) 0.920 19.152 ( 0.000 -4.723 0.000) 4.723 19.254 ( 0.000 -9.313 0.000) 9.313 20.178 ( 0.000 -3.927 0.000) 3.927 20.710 ( 0.000 6.940 0.000) 6.940 21.174 ( 0.000 -16.697 0.000) 16.697 21.328 ( 0.000 -7.006 0.000) 7.006 22.439 ( 0.000 5.724 0.000) 5.724 23.334 ( 0.000 -2.859 0.000) 2.859 23.942 ( 0.000 -0.059 -0.000) 0.059 23.956 ( 0.000 -0.333 0.000) 0.333 24.192 ( 0.000 29.474 0.000) 29.474 25.009 ( 0.000 -1.215 0.000) 1.215 25.967 ( 0.000 6.595 0.000) 6.595 26.689 ( 0.000 9.325 0.000) 9.325 27.242 ( 0.000 -20.544 0.000) 20.544 27.737 ( 0.000 -16.346 0.000) 16.346 28.158 ( 0.000 2.598 0.000) 2.598 28.189 ( 0.000 0.056 0.000) 0.056 28.291 ( 0.000 3.677 0.000) 3.677 28.773 ( 0.000 -5.383 0.000) 5.383 28.817 ( 0.000 14.961 0.000) 14.961 29.263 ( 0.000 9.558 0.000) 9.558 29.562 ( 0.000 -0.874 0.000) 0.874 30.151 ( 0.000 -12.961 0.000) 12.961 31.790 ( 0.000 -3.711 0.000) 3.711 31.932 ( 0.000 -8.047 0.000) 8.047 32.394 ( 0.000 15.547 0.000) 15.547 33.283 ( 0.000 -11.450 0.000) 11.450 33.659 ( 0.000 7.286 0.000) 7.286 33.996 ( 0.000 -2.746 0.000) 2.746 34.093 ( 0.000 0.131 0.000) 0.131 34.106 ( 0.000 -0.160 0.000) 0.160 36.177 ( 0.000 3.343 0.000) 3.343 36.476 ( 0.000 -3.371 0.000) 3.371 37.404 ( 0.000 2.342 0.000) 2.342 37.736 ( 0.000 -6.055 0.000) 6.055 40.827 ( 0.000 8.154 0.000) 8.154 41.386 ( 0.000 -5.792 0.000) 5.792 ======================= Grid point 155 (52/60) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.199 -3.962 0.000) 4.531 1.167 ( 9.241 2.616 0.000) 9.604 1.265 ( 6.208 -0.562 0.000) 6.234 1.299 ( 2.841 4.067 -0.000) 4.961 1.341 ( 0.261 2.828 -0.000) 2.840 1.474 ( -1.747 -1.175 0.000) 2.106 1.591 ( 2.065 8.971 -0.000) 9.205 1.594 ( -0.803 -3.420 0.000) 3.513 1.688 ( 1.331 -5.685 0.000) 5.838 1.699 ( 0.347 1.828 0.000) 1.861 1.787 ( 0.501 -0.841 0.000) 0.979 1.821 ( 4.104 0.770 0.000) 4.176 1.908 ( 2.343 -0.106 0.000) 2.345 1.911 ( 0.305 3.972 -0.000) 3.984 1.945 ( 1.343 4.132 -0.000) 4.345 1.993 ( -0.073 2.852 -0.000) 2.853 2.010 ( 0.526 0.040 -0.000) 0.528 2.095 ( 1.942 0.675 -0.000) 2.056 3.772 ( 1.496 4.748 -0.000) 4.979 3.901 ( 2.381 10.576 -0.000) 10.841 4.202 ( 9.414 2.869 0.000) 9.842 4.371 ( 9.756 -2.372 0.000) 10.040 4.498 ( 1.647 -10.776 0.000) 10.901 4.897 ( -1.998 5.893 0.000) 6.223 5.010 ( -0.290 -1.659 -0.000) 1.685 5.326 ( 2.720 0.351 -0.000) 2.743 5.349 ( 1.991 -0.110 0.000) 1.995 5.410 ( -4.231 -14.554 0.000) 15.156 6.731 ( -7.760 3.897 -0.000) 8.684 7.080 ( -10.120 -3.569 -0.000) 10.731 7.863 ( 4.852 5.933 0.000) 7.664 8.295 ( 0.421 2.075 0.000) 2.117 8.490 ( -1.435 -1.945 0.000) 2.417 8.491 ( -2.382 -8.752 -0.000) 9.070 10.262 ( 1.299 10.470 0.000) 10.550 10.973 ( -5.687 -6.521 0.000) 8.653 12.959 ( 8.322 4.063 -0.000) 9.261 13.180 ( 4.565 -2.012 0.000) 4.989 13.339 ( 16.320 4.280 -0.000) 16.872 13.679 ( 16.111 -5.270 0.000) 16.951 13.961 ( 23.967 6.166 0.000) 24.748 14.322 ( 24.491 -3.104 0.000) 24.687 14.580 ( 2.668 9.543 -0.000) 9.909 14.995 ( -1.799 -0.555 0.000) 1.883 15.097 ( 10.817 2.715 0.000) 11.153 15.761 ( 2.122 -14.532 0.000) 14.686 16.849 ( -10.321 10.209 0.000) 14.517 17.093 ( -17.259 4.902 0.000) 17.942 17.596 ( 11.203 15.616 0.000) 19.219 18.160 ( -6.819 8.092 0.000) 10.582 18.575 ( 18.835 -7.668 0.000) 20.336 18.947 ( 7.405 1.369 0.000) 7.530 19.164 ( -1.522 -12.069 0.000) 12.165 19.325 ( 7.725 -4.917 0.000) 9.157 19.882 ( -20.008 1.715 0.000) 20.082 20.271 ( -24.056 3.090 -0.000) 24.254 21.673 ( 26.009 -8.982 -0.000) 27.516 21.674 ( 30.197 -13.033 0.000) 32.889 22.456 ( 1.790 5.815 -0.000) 6.084 23.307 ( -1.990 -5.103 0.000) 5.477 23.990 ( 0.447 7.833 0.000) 7.846 24.041 ( 6.185 2.560 0.000) 6.694 24.353 ( 16.347 17.746 0.000) 24.128 24.958 ( -3.428 -1.988 0.000) 3.963 25.874 ( -8.447 8.014 -0.000) 11.643 26.639 ( -6.101 9.113 0.000) 10.967 27.057 ( -12.685 -10.594 0.000) 16.527 27.645 ( -8.113 -11.830 -0.000) 14.345 27.956 ( -20.283 -2.900 -0.000) 20.489 28.161 ( -3.989 -3.132 0.000) 5.072 28.428 ( 12.623 1.691 -0.000) 12.735 28.621 ( -5.389 0.296 0.000) 5.397 28.982 ( 7.696 5.085 0.000) 9.224 29.223 ( -3.509 10.472 0.000) 11.044 29.462 ( -6.844 -1.733 0.000) 7.060 29.931 ( -18.625 -8.378 0.000) 20.423 31.775 ( -1.266 -3.241 0.000) 3.480 31.886 ( -3.517 -6.024 0.000) 6.976 32.364 ( -2.274 12.990 0.000) 13.188 33.160 ( -11.794 -9.799 0.000) 15.334 33.522 ( -8.333 6.714 0.000) 10.701 33.838 ( -10.588 -2.471 0.000) 10.873 34.278 ( 15.242 0.398 -0.000) 15.248 34.388 ( 22.233 -2.654 0.000) 22.391 36.570 ( 33.917 3.656 0.000) 34.114 36.873 ( 29.793 -3.042 0.000) 29.947 37.368 ( -3.196 2.486 -0.000) 4.049 37.749 ( 4.137 -7.080 0.000) 8.200 40.729 ( -9.402 7.677 0.000) 12.138 41.270 ( -10.998 -5.539 0.000) 12.314 ======================= Grid point 157 (53/60) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 5.523 -2.709 0.000) 6.151 1.273 ( 2.034 -1.847 0.000) 2.747 1.371 ( 3.059 4.038 0.000) 5.066 1.371 ( 3.104 0.580 -0.000) 3.158 1.442 ( -0.080 -0.503 0.000) 0.509 1.453 ( 9.072 1.296 -0.000) 9.164 1.587 ( 0.384 -0.920 -0.000) 0.997 1.648 ( 2.545 4.978 0.000) 5.591 1.696 ( -0.369 -0.252 0.000) 0.446 1.707 ( 0.524 2.278 0.000) 2.338 1.790 ( -0.201 0.447 0.000) 0.490 1.862 ( 0.017 -0.958 0.000) 0.958 1.911 ( -0.160 2.574 -0.000) 2.579 1.920 ( -1.230 1.711 0.000) 2.107 1.969 ( -0.320 0.968 0.000) 1.019 2.074 ( 5.381 -0.211 0.000) 5.385 2.080 ( 6.722 1.706 -0.000) 6.935 2.121 ( 1.333 1.182 -0.000) 1.782 3.832 ( 4.421 4.714 -0.000) 6.463 3.988 ( 5.965 5.420 -0.000) 8.060 4.328 ( 0.239 -4.413 0.000) 4.420 4.549 ( 3.749 -5.132 0.000) 6.355 4.643 ( 12.138 0.389 0.000) 12.144 4.880 ( 2.662 5.516 0.000) 6.125 5.063 ( 5.767 -0.968 0.000) 5.847 5.309 ( -2.563 -10.975 0.000) 11.271 5.391 ( 2.716 0.227 -0.000) 2.726 5.400 ( 2.790 0.078 0.000) 2.791 6.499 ( -14.400 4.508 -0.000) 15.089 6.807 ( -15.773 -2.298 -0.000) 15.939 7.976 ( 5.699 3.719 0.000) 6.805 8.308 ( 0.814 1.566 0.000) 1.765 8.421 ( -4.215 -6.215 0.000) 7.510 8.451 ( -2.205 -1.396 -0.000) 2.610 10.307 ( 3.085 6.956 0.000) 7.609 10.828 ( -7.771 -5.128 0.000) 9.310 13.173 ( 11.284 3.611 -0.000) 11.848 13.268 ( 4.586 0.816 0.000) 4.658 13.745 ( 19.812 0.327 -0.000) 19.815 14.027 ( 15.608 -4.515 0.000) 16.248 14.553 ( 22.561 4.435 0.000) 22.992 14.659 ( 4.803 7.180 0.000) 8.639 15.014 ( 39.663 -3.354 0.000) 39.804 15.073 ( 17.540 -3.828 -0.000) 17.953 15.387 ( 16.030 1.729 0.000) 16.123 15.797 ( 1.101 -7.255 0.000) 7.338 16.636 ( -9.681 11.093 0.000) 14.723 16.712 ( -18.031 8.423 0.000) 19.901 17.770 ( 2.548 12.198 0.000) 12.461 17.935 ( -15.343 7.949 0.000) 17.279 18.886 ( 9.443 -12.538 0.000) 15.696 19.028 ( -10.532 -15.906 0.000) 19.077 19.199 ( 14.367 -0.600 -0.000) 14.380 19.432 ( -1.452 -5.414 0.000) 5.605 19.713 ( 8.394 9.265 0.000) 12.502 19.910 ( -9.049 7.532 0.000) 11.774 22.218 ( 24.547 -10.614 0.000) 26.743 22.245 ( 23.850 -15.349 -0.000) 28.362 22.522 ( 5.113 6.626 -0.000) 8.369 23.266 ( -2.062 -9.197 0.000) 9.425 23.949 ( -4.174 10.208 0.000) 11.029 24.007 ( -11.436 7.686 0.000) 13.779 24.754 ( 18.285 4.564 0.000) 18.846 24.976 ( 6.019 -5.059 0.000) 7.862 25.677 ( -8.080 14.156 -0.000) 16.300 26.388 ( -16.520 13.648 0.000) 21.429 26.900 ( -2.218 -0.913 0.000) 2.398 27.441 ( -10.754 -4.411 -0.000) 11.623 27.516 ( -17.179 -5.036 0.000) 17.902 27.991 ( -11.559 -12.364 0.000) 16.926 28.615 ( 4.280 0.842 -0.000) 4.362 28.684 ( 10.340 -5.362 0.000) 11.648 29.100 ( 3.029 -0.034 0.000) 3.029 29.154 ( -2.182 10.044 -0.000) 10.279 29.337 ( -5.431 -1.623 -0.000) 5.668 29.525 ( -17.331 0.292 0.000) 17.333 31.746 ( -1.327 -2.190 0.000) 2.561 31.816 ( -3.002 -3.596 0.000) 4.684 32.327 ( -0.868 7.988 0.000) 8.035 32.851 ( -15.561 -5.012 0.000) 16.348 33.415 ( -2.535 3.144 0.000) 4.039 33.640 ( -8.043 -2.165 0.000) 8.329 34.665 ( 20.563 1.091 -0.000) 20.592 34.857 ( 20.745 -3.652 0.000) 21.064 37.220 ( 0.892 -1.387 0.000) 1.649 37.225 ( 0.950 -0.613 -0.000) 1.130 37.473 ( 38.636 7.847 0.000) 39.424 38.173 ( 36.999 -9.391 0.000) 38.173 40.437 ( -18.833 6.764 0.000) 20.011 40.945 ( -20.080 -5.232 0.000) 20.751 ======================= Grid point 159 (54/60) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 1.122 -0.110 0.000) 1.128 1.324 ( 5.010 -2.250 0.000) 5.492 1.365 ( -1.748 -0.151 0.000) 1.755 1.429 ( 1.246 -2.861 -0.000) 3.121 1.515 ( 4.144 3.704 0.000) 5.558 1.603 ( 3.643 0.334 0.000) 3.658 1.633 ( 4.878 0.011 -0.000) 4.878 1.644 ( 0.629 0.880 0.000) 1.082 1.723 ( 1.002 1.698 0.000) 1.972 1.731 ( 2.037 3.609 0.000) 4.144 1.790 ( 0.931 2.492 0.000) 2.660 1.831 ( -2.957 -0.631 0.000) 3.024 1.888 ( -1.720 2.360 -0.000) 2.921 1.893 ( -2.774 -0.403 0.000) 2.803 1.949 ( -0.008 3.153 0.000) 3.153 2.064 ( -3.178 0.655 0.000) 3.245 2.220 ( 5.394 0.262 0.000) 5.400 2.224 ( 4.870 -0.067 -0.000) 4.871 3.954 ( 7.140 3.317 0.000) 7.873 4.140 ( 8.487 -0.288 -0.000) 8.492 4.259 ( -5.791 -3.284 0.000) 6.658 4.500 ( -6.679 -6.734 0.000) 9.485 4.800 ( 4.261 2.970 0.000) 5.194 5.047 ( -6.402 -3.032 0.000) 7.084 5.129 ( 17.361 4.118 0.000) 17.843 5.384 ( 1.720 -1.651 -0.000) 2.384 5.475 ( 5.616 0.597 0.000) 5.647 5.557 ( 18.442 -1.634 0.000) 18.515 6.149 ( -19.011 4.975 0.000) 19.651 6.438 ( -19.633 -1.760 -0.000) 19.711 8.093 ( 5.620 1.577 0.000) 5.837 8.320 ( -4.209 -2.945 0.000) 5.137 8.331 ( 0.245 0.450 0.000) 0.513 8.404 ( -2.231 -0.675 0.000) 2.331 10.391 ( 4.989 3.076 0.000) 5.862 10.664 ( -7.828 -3.092 0.000) 8.416 13.367 ( 4.606 3.433 -0.000) 5.745 13.373 ( 6.869 4.121 0.000) 8.011 14.096 ( 13.388 -3.663 -0.000) 13.880 14.264 ( 6.365 -5.378 0.000) 8.333 14.734 ( 3.113 -0.118 0.000) 3.116 14.755 ( 3.736 3.824 0.000) 5.346 15.714 ( 15.430 0.951 0.000) 15.459 15.748 ( 33.722 -6.854 0.000) 34.412 15.803 ( 27.315 -9.103 0.000) 28.792 15.818 ( 1.695 -0.680 -0.000) 1.827 16.449 ( 0.025 16.463 -0.000) 16.463 16.490 ( -1.009 14.891 0.000) 14.925 17.512 ( -25.631 8.561 0.000) 27.023 17.577 ( -21.733 9.543 0.000) 23.736 18.900 ( 0.147 -9.919 0.000) 9.920 18.997 ( 1.559 -9.069 -0.000) 9.202 19.366 ( 2.188 -10.674 0.000) 10.896 19.404 ( -0.716 -7.048 0.000) 7.084 19.929 ( 7.723 12.670 -0.000) 14.838 19.946 ( 9.756 7.968 0.000) 12.597 22.588 ( 9.612 -8.983 0.000) 13.156 22.628 ( 13.743 -10.851 -0.000) 17.510 22.727 ( 13.903 -2.170 0.000) 14.072 23.188 ( -7.009 -12.318 0.000) 14.173 23.712 ( -11.292 10.546 0.000) 15.451 23.819 ( -8.121 5.701 -0.000) 9.922 24.999 ( 5.665 -4.617 0.000) 7.308 25.095 ( 2.797 -8.392 0.000) 8.846 25.644 ( 5.221 24.067 0.000) 24.626 26.057 ( -14.090 24.832 0.000) 28.551 26.918 ( 3.589 -0.883 0.000) 3.696 27.223 ( -9.991 -0.835 0.000) 10.026 27.351 ( 0.944 -8.193 0.000) 8.247 27.734 ( -12.519 -15.127 0.000) 19.635 28.749 ( 7.516 0.058 0.000) 7.516 28.823 ( 3.387 -5.411 -0.000) 6.384 29.067 ( -5.311 -3.030 0.000) 6.115 29.129 ( -2.346 1.571 -0.000) 2.824 29.244 ( -1.951 3.800 0.000) 4.271 29.312 ( -3.542 4.919 0.000) 6.061 31.727 ( -0.394 -1.478 0.000) 1.530 31.763 ( -2.054 -2.211 0.000) 3.018 32.336 ( 1.865 3.839 0.000) 4.268 32.576 ( -10.628 -1.717 0.000) 10.765 33.394 ( 0.311 1.018 0.000) 1.064 33.505 ( -5.118 -1.399 0.000) 5.306 35.062 ( 16.253 0.895 -0.000) 16.278 35.194 ( 10.973 -2.183 0.000) 11.189 37.120 ( -5.207 -0.147 -0.000) 5.209 37.138 ( -5.749 -0.478 0.000) 5.769 38.393 ( 44.302 6.108 0.000) 44.721 39.007 ( 39.937 -8.295 0.000) 40.789 39.950 ( -28.085 6.382 0.000) 28.801 40.449 ( -27.679 -5.337 0.000) 28.189 ======================= Grid point 161 (55/60) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -1.648 -0.046 0.000) 1.649 1.327 ( 1.648 -0.046 0.000) 1.649 1.409 ( -2.818 -2.678 0.000) 3.887 1.409 ( 2.818 -2.678 0.000) 3.887 1.576 ( -2.378 3.026 0.000) 3.848 1.576 ( 2.378 3.026 0.000) 3.848 1.734 ( -1.410 0.244 0.000) 1.431 1.734 ( 1.410 0.244 -0.000) 1.431 1.744 ( -4.984 -0.090 -0.000) 4.985 1.744 ( 4.984 -0.090 0.000) 4.985 1.778 ( -5.644 0.085 0.000) 5.645 1.778 ( 5.644 0.085 0.000) 5.645 1.847 ( -2.082 3.623 0.000) 4.179 1.847 ( 2.082 3.623 0.000) 4.179 1.989 ( -3.344 2.317 0.000) 4.068 1.989 ( 3.344 2.317 0.000) 4.068 2.277 ( -0.003 -0.376 0.000) 0.376 2.277 ( 0.003 -0.376 0.000) 0.376 4.113 ( -7.823 0.557 0.000) 7.843 4.113 ( 7.823 0.557 0.000) 7.843 4.327 ( -9.201 -4.959 0.000) 10.452 4.327 ( 9.201 -4.959 0.000) 10.452 4.907 ( -6.305 -0.048 0.000) 6.305 4.907 ( 6.305 -0.048 0.000) 6.305 5.361 ( -4.182 0.932 0.000) 4.285 5.361 ( 4.182 0.932 -0.000) 4.285 5.733 ( -18.602 3.626 0.000) 18.952 5.733 ( 18.602 3.626 0.000) 18.952 6.005 ( -21.560 -1.330 0.000) 21.601 6.005 ( 21.560 -1.330 0.000) 21.601 8.209 ( -5.554 -0.757 0.000) 5.605 8.209 ( 5.554 -0.757 0.000) 5.605 8.362 ( -1.805 0.115 0.000) 1.808 8.362 ( 1.805 0.115 0.000) 1.808 10.512 ( -6.709 -0.350 0.000) 6.719 10.512 ( 6.709 -0.350 0.000) 6.719 13.433 ( -0.878 4.653 0.000) 4.735 13.433 ( 0.879 4.653 0.000) 4.735 14.282 ( -4.323 -5.930 0.000) 7.338 14.282 ( 4.323 -5.930 0.000) 7.338 14.785 ( -1.044 0.221 0.000) 1.067 14.785 ( 1.044 0.221 0.000) 1.067 15.889 ( -4.425 -0.685 0.000) 4.478 15.889 ( 4.425 -0.685 -0.000) 4.478 15.982 ( -6.561 -3.113 -0.000) 7.262 15.982 ( 6.561 -3.113 0.000) 7.262 16.834 ( -12.909 7.513 0.000) 14.936 16.834 ( 12.909 7.513 0.000) 14.936 17.002 ( -15.197 14.673 0.000) 21.125 17.002 ( 15.197 14.673 0.000) 21.125 18.965 ( -3.787 -7.538 0.000) 8.436 18.965 ( 3.787 -7.538 0.000) 8.436 19.389 ( -0.824 -9.944 0.000) 9.978 19.389 ( 0.824 -9.944 0.000) 9.978 20.043 ( -0.980 9.749 0.000) 9.798 20.043 ( 0.980 9.749 0.000) 9.798 22.739 ( -3.138 -8.834 0.000) 9.375 22.739 ( 3.138 -8.834 0.000) 9.375 22.978 ( -11.079 -7.217 0.000) 13.222 22.978 ( 11.079 -7.217 0.000) 13.222 23.662 ( -5.019 4.926 0.000) 7.033 23.662 ( 5.019 4.926 0.000) 7.033 25.079 ( -3.069 -7.310 0.000) 7.928 25.079 ( 3.069 -7.310 0.000) 7.928 25.814 ( -9.916 27.327 0.000) 29.071 25.814 ( 9.916 27.327 -0.000) 29.071 27.038 ( -7.646 -0.745 0.000) 7.682 27.038 ( 7.646 -0.745 0.000) 7.682 27.489 ( -10.553 -11.729 0.000) 15.778 27.489 ( 10.553 -11.729 0.000) 15.778 28.854 ( -0.780 -2.465 0.000) 2.586 28.854 ( 0.780 -2.465 -0.000) 2.586 29.030 ( -3.969 -1.778 0.000) 4.349 29.030 ( 3.969 -1.778 -0.000) 4.349 29.267 ( -2.122 4.494 -0.000) 4.970 29.267 ( 2.122 4.494 0.000) 4.970 31.732 ( -0.899 -1.512 0.000) 1.759 31.732 ( 0.899 -1.512 0.000) 1.759 32.411 ( -5.529 0.885 0.000) 5.599 32.411 ( 5.529 0.885 0.000) 5.599 33.425 ( -2.670 -0.336 0.000) 2.692 33.425 ( 2.670 -0.336 0.000) 2.692 35.277 ( -3.457 -0.302 0.000) 3.471 35.277 ( 3.457 -0.302 0.000) 3.471 37.064 ( -0.487 -0.332 0.000) 0.589 37.064 ( 0.487 -0.332 0.000) 0.589 39.242 ( -36.280 4.755 0.000) 36.590 39.242 ( 36.280 4.755 0.000) 36.590 39.809 ( -33.265 -5.264 0.000) 33.679 39.809 ( 33.265 -5.264 0.000) 33.679 ======================= Grid point 171 (56/60) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 0.201 0.000) 0.201 1.116 ( 0.000 -5.066 0.000) 5.066 1.196 ( 0.000 8.959 -0.000) 8.959 1.316 ( 0.000 -0.011 0.000) 0.011 1.409 ( 0.000 2.899 0.000) 2.899 1.460 ( 0.000 -2.227 0.000) 2.227 1.482 ( 0.000 -3.768 -0.000) 3.768 1.532 ( 0.000 -6.081 0.000) 6.081 1.720 ( 0.000 1.272 0.000) 1.272 1.722 ( 0.000 2.834 -0.000) 2.834 1.765 ( 0.000 0.620 -0.000) 0.620 1.799 ( 0.000 -1.444 0.000) 1.444 1.918 ( 0.000 4.033 0.000) 4.033 1.977 ( 0.000 -1.202 0.000) 1.202 2.002 ( 0.000 2.274 0.000) 2.274 2.025 ( 0.000 -0.011 0.000) 0.011 2.042 ( 0.000 5.177 0.000) 5.177 2.096 ( 0.000 0.070 0.000) 0.070 3.917 ( 0.000 11.038 0.000) 11.038 4.144 ( 0.000 3.316 0.000) 3.316 4.166 ( 0.000 -7.896 0.000) 7.896 4.210 ( 0.000 -2.990 0.000) 2.990 4.339 ( 0.000 19.275 0.000) 19.275 4.844 ( 0.000 -20.739 0.000) 20.739 5.023 ( 0.000 4.602 0.000) 4.602 5.136 ( 0.000 -9.278 0.000) 9.278 5.307 ( 0.000 0.752 0.000) 0.752 5.320 ( 0.000 -0.467 0.000) 0.467 6.919 ( 0.000 6.603 0.000) 6.603 7.065 ( 0.000 -7.306 0.000) 7.306 8.006 ( 0.000 11.851 0.000) 11.851 8.259 ( 0.000 -11.782 0.000) 11.782 8.371 ( 0.000 2.657 0.000) 2.657 8.445 ( 0.000 -3.628 0.000) 3.628 10.540 ( 0.000 15.280 0.000) 15.280 10.832 ( 0.000 -12.763 0.000) 12.763 12.976 ( 0.000 5.693 0.000) 5.693 13.069 ( 0.000 -2.824 0.000) 2.824 13.262 ( 0.000 4.868 0.000) 4.868 13.372 ( 0.000 -5.521 0.000) 5.521 13.846 ( 0.000 6.596 0.000) 6.596 13.972 ( 0.000 -5.578 0.000) 5.578 14.799 ( 0.000 11.838 -0.000) 11.838 14.984 ( 0.000 -5.627 0.000) 5.627 15.092 ( 0.000 9.133 0.000) 9.133 15.360 ( 0.000 -16.826 0.000) 16.826 17.197 ( 0.000 10.375 0.000) 10.375 17.341 ( 0.000 -2.544 0.000) 2.544 17.850 ( 0.000 19.587 0.000) 19.587 18.180 ( 0.000 -11.943 0.000) 11.943 18.470 ( 0.000 16.737 0.000) 16.737 18.895 ( 0.000 -22.920 0.000) 22.920 18.903 ( 0.000 4.252 0.000) 4.252 19.027 ( 0.000 -6.949 0.000) 6.949 20.301 ( 0.000 15.589 0.000) 15.589 20.726 ( 0.000 -24.072 0.000) 24.072 20.901 ( 0.000 11.212 0.000) 11.212 21.136 ( 0.000 -11.249 0.000) 11.249 22.733 ( 0.000 20.232 0.000) 20.232 23.134 ( 0.000 -16.592 0.000) 16.592 23.943 ( 0.000 0.146 -0.000) 0.146 23.948 ( 0.000 -0.383 0.000) 0.383 24.739 ( 0.000 20.386 0.000) 20.386 24.973 ( 0.000 -4.188 0.000) 4.188 26.206 ( 0.000 17.802 0.000) 17.802 26.660 ( 0.000 -22.903 0.000) 22.903 27.031 ( 0.000 12.342 0.000) 12.342 27.371 ( 0.000 -18.522 0.000) 18.522 28.188 ( 0.000 0.471 0.000) 0.471 28.190 ( 0.000 0.050 0.000) 0.050 28.429 ( 0.000 9.137 0.000) 9.137 28.622 ( 0.000 -9.079 0.000) 9.079 29.134 ( 0.000 14.696 0.000) 14.696 29.354 ( 0.000 -4.851 0.000) 4.851 29.614 ( 0.000 9.102 0.000) 9.102 29.863 ( 0.000 -14.028 0.000) 14.028 31.737 ( 0.000 -0.920 0.000) 0.920 31.779 ( 0.000 -5.426 0.000) 5.426 32.726 ( 0.000 15.988 0.000) 15.988 33.027 ( 0.000 -13.675 0.000) 13.675 33.799 ( 0.000 6.450 0.000) 6.450 33.916 ( 0.000 -4.979 0.000) 4.979 34.096 ( 0.000 0.225 0.000) 0.225 34.101 ( 0.000 -0.243 0.000) 0.243 36.269 ( 0.000 5.421 0.000) 5.421 36.383 ( 0.000 -5.438 0.000) 5.438 37.477 ( 0.000 4.831 0.000) 4.831 37.597 ( 0.000 -6.847 0.000) 6.847 41.025 ( 0.000 10.508 0.000) 10.508 41.230 ( 0.000 -9.231 0.000) 9.231 ======================= Grid point 173 (57/60) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 3.360 0.588 0.000) 3.412 1.140 ( 3.002 -3.944 0.000) 4.956 1.323 ( 9.198 6.075 0.000) 11.023 1.386 ( 4.965 3.262 0.000) 5.940 1.400 ( -0.679 2.478 0.000) 2.569 1.443 ( -1.540 -1.399 0.000) 2.080 1.495 ( 1.751 -4.761 0.000) 5.073 1.546 ( 1.500 -6.343 0.000) 6.518 1.736 ( 1.277 2.708 0.000) 2.994 1.737 ( 1.249 1.522 -0.000) 1.969 1.785 ( 1.583 0.547 0.000) 1.675 1.812 ( 1.236 -1.536 -0.000) 1.971 1.941 ( 1.676 2.506 0.000) 3.015 1.974 ( -0.484 -0.063 0.000) 0.488 2.005 ( 0.193 2.238 -0.000) 2.246 2.028 ( 0.395 0.249 0.000) 0.467 2.056 ( 1.774 4.424 0.000) 4.767 2.105 ( 1.020 -0.300 0.000) 1.063 3.929 ( 1.234 10.477 0.000) 10.549 4.154 ( -0.282 6.239 0.000) 6.245 4.168 ( 0.949 -6.191 0.000) 6.263 4.300 ( 7.083 -4.750 0.000) 8.528 4.450 ( 10.998 13.650 0.000) 17.530 4.851 ( 1.862 -18.031 0.000) 18.127 5.003 ( -1.730 4.652 0.000) 4.963 5.113 ( -2.150 -8.702 0.000) 8.964 5.338 ( 2.602 0.473 -0.000) 2.645 5.345 ( 2.236 -0.264 0.000) 2.252 6.839 ( -7.575 6.421 -0.000) 9.930 6.975 ( -8.446 -6.411 -0.000) 10.603 8.033 ( 2.335 10.405 0.000) 10.664 8.261 ( 0.094 -10.968 0.000) 10.968 8.366 ( -0.413 2.714 0.000) 2.745 8.435 ( -0.913 -3.314 -0.000) 3.438 10.520 ( -1.654 13.743 0.000) 13.842 10.785 ( -4.123 -11.642 0.000) 12.350 13.054 ( 7.143 4.734 -0.000) 8.569 13.133 ( 5.534 -2.919 0.000) 6.257 13.444 ( 15.530 5.761 -0.000) 16.564 13.564 ( 16.008 -5.907 0.000) 17.063 14.097 ( 23.816 6.898 0.000) 24.795 14.230 ( 24.370 -5.832 0.000) 25.058 14.779 ( -0.863 8.953 -0.000) 8.994 14.932 ( -3.478 -5.775 0.000) 6.741 15.219 ( 10.709 9.459 0.000) 14.288 15.461 ( 8.151 -13.847 0.000) 16.068 17.065 ( -10.386 9.359 0.000) 13.980 17.165 ( -13.749 0.224 0.000) 13.751 17.967 ( 8.517 19.116 0.000) 20.927 18.304 ( 4.133 -9.105 0.000) 10.000 18.432 ( 0.491 9.498 0.000) 9.510 18.803 ( -6.859 -21.243 0.000) 22.322 19.016 ( 9.948 5.673 -0.000) 11.451 19.166 ( 9.996 -8.558 0.000) 13.159 20.050 ( -15.321 12.472 0.000) 19.756 20.264 ( -20.970 -5.848 0.000) 21.770 21.435 ( 28.674 -5.737 0.000) 29.242 21.480 ( 25.200 -8.098 0.000) 26.469 22.729 ( -0.068 18.208 0.000) 18.208 23.093 ( -3.081 -15.593 0.000) 15.895 24.058 ( 7.484 1.188 0.000) 7.578 24.070 ( 8.925 0.139 0.000) 8.926 24.747 ( 1.709 15.321 0.000) 15.416 24.920 ( -4.048 -3.125 0.000) 5.114 26.147 ( -4.934 18.987 0.000) 19.618 26.582 ( -6.399 -19.996 0.000) 20.995 27.020 ( -0.850 13.242 0.000) 13.269 27.346 ( -2.160 -16.588 0.000) 16.728 27.972 ( -20.135 3.918 0.000) 20.513 28.073 ( -13.152 -5.225 0.000) 14.151 28.485 ( 5.456 3.823 0.000) 6.663 28.572 ( -1.341 -4.222 0.000) 4.430 29.148 ( 0.822 9.831 0.000) 9.865 29.317 ( -3.267 -4.972 0.000) 5.949 29.515 ( -7.323 9.692 0.000) 12.147 29.731 ( -11.060 -10.624 0.000) 15.336 31.730 ( -0.601 -0.660 0.000) 0.893 31.767 ( -1.032 -4.427 0.000) 4.546 32.655 ( -6.123 14.527 0.000) 15.765 32.932 ( -8.779 -12.543 0.000) 15.310 33.654 ( -9.824 6.131 0.000) 11.580 33.765 ( -10.394 -4.636 0.000) 11.380 34.294 ( 16.603 1.288 -0.000) 16.652 34.332 ( 19.137 -2.489 0.000) 19.298 36.669 ( 33.616 5.725 0.000) 34.100 36.786 ( 32.073 -5.337 0.000) 32.514 37.448 ( -1.990 5.409 -0.000) 5.763 37.587 ( 0.822 -7.998 0.000) 8.040 40.919 ( -10.171 10.171 0.000) 14.384 41.118 ( -10.615 -9.014 0.000) 13.926 ======================= Grid point 175 (58/60) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 5.666 0.491 0.000) 5.687 1.222 ( 4.248 -2.646 0.000) 5.005 1.384 ( -0.495 0.799 0.000) 0.940 1.403 ( -2.084 -0.817 0.000) 2.238 1.485 ( 4.980 4.861 0.000) 6.959 1.497 ( 6.802 2.721 -0.000) 7.326 1.552 ( 3.190 -2.396 -0.000) 3.989 1.592 ( 2.545 -5.057 0.000) 5.661 1.757 ( 0.546 1.952 0.000) 2.027 1.762 ( 0.785 1.641 0.000) 1.819 1.818 ( 1.444 1.143 0.000) 1.842 1.837 ( 0.555 -1.261 -0.000) 1.377 1.950 ( -1.783 1.057 0.000) 2.073 1.951 ( -0.883 0.944 0.000) 1.293 2.014 ( 0.510 2.834 0.000) 2.880 2.058 ( 1.768 -1.435 0.000) 2.277 2.127 ( 4.991 2.384 0.000) 5.531 2.146 ( 3.289 0.668 0.000) 3.356 3.972 ( 2.926 8.754 0.000) 9.230 4.145 ( -0.148 2.225 0.000) 2.229 4.187 ( 0.592 -0.915 0.000) 1.090 4.392 ( 0.019 -10.098 0.000) 10.098 4.757 ( 15.828 10.054 0.000) 18.751 4.977 ( 1.306 3.936 0.000) 4.147 5.008 ( 14.245 -10.110 0.000) 17.468 5.052 ( -3.598 -6.955 0.000) 7.831 5.399 ( 3.148 0.294 0.000) 3.161 5.401 ( 3.023 0.027 0.000) 3.023 6.613 ( -14.070 6.188 0.000) 15.371 6.731 ( -14.722 -5.058 -0.000) 15.567 8.089 ( 2.847 7.302 0.000) 7.837 8.257 ( -0.634 -8.549 0.000) 8.573 8.357 ( -0.329 2.470 0.000) 2.492 8.411 ( -1.333 -2.463 0.000) 2.800 10.486 ( -1.299 9.917 0.000) 10.002 10.683 ( -5.268 -8.877 0.000) 10.323 13.246 ( 10.535 2.894 0.000) 10.925 13.278 ( 7.961 -0.274 0.000) 7.965 13.794 ( 16.166 4.508 -0.000) 16.783 13.911 ( 15.263 -6.379 0.000) 16.543 14.670 ( 17.116 6.581 0.000) 18.337 14.763 ( 3.119 0.464 0.000) 3.153 14.931 ( 36.420 -2.077 0.000) 36.479 14.979 ( 19.881 -4.686 0.000) 20.426 15.482 ( 13.739 7.152 0.000) 15.489 15.641 ( 8.484 -7.935 0.000) 11.616 16.846 ( -9.563 7.401 0.000) 12.093 16.873 ( -12.810 4.877 0.000) 13.707 18.073 ( -2.289 15.017 0.000) 15.190 18.134 ( -15.359 9.767 0.000) 18.201 18.600 ( 9.541 -12.793 0.000) 15.959 18.655 ( -4.687 -17.322 0.000) 17.945 19.214 ( 5.846 2.765 0.000) 6.467 19.310 ( 1.320 -6.079 0.000) 6.221 19.912 ( 4.296 8.972 0.000) 9.948 20.010 ( -1.923 0.482 0.000) 1.982 21.981 ( 23.281 -7.002 0.000) 24.312 22.003 ( 23.464 -8.025 0.000) 24.798 22.745 ( 1.786 13.705 0.000) 13.821 23.031 ( -2.782 -13.515 0.000) 13.798 24.098 ( -5.222 4.032 0.000) 6.597 24.117 ( -7.162 2.255 0.000) 7.509 24.845 ( 6.683 3.508 0.000) 7.547 24.897 ( 3.215 -2.490 0.000) 4.067 26.071 ( -0.355 22.585 0.000) 22.588 26.471 ( -2.580 -12.040 0.000) 12.313 26.998 ( -1.705 14.590 0.000) 14.689 27.295 ( -2.612 -10.904 0.000) 11.212 27.486 ( -22.443 3.693 0.000) 22.745 27.684 ( -21.236 -15.073 0.000) 26.041 28.622 ( 5.136 -0.195 -0.000) 5.140 28.623 ( 7.026 -0.917 0.000) 7.085 29.142 ( -2.090 3.988 0.000) 4.502 29.229 ( -5.257 -3.389 -0.000) 6.255 29.386 ( -4.376 6.782 0.000) 8.071 29.496 ( -9.688 -3.461 0.000) 10.287 31.715 ( -0.700 -0.359 0.000) 0.787 31.742 ( -1.260 -2.927 0.000) 3.186 32.519 ( -6.017 10.033 0.000) 11.699 32.711 ( -11.012 -8.505 0.000) 13.914 33.494 ( -5.301 4.307 0.000) 6.830 33.578 ( -7.130 -3.782 0.000) 8.071 34.702 ( 20.945 2.649 -0.000) 21.112 34.772 ( 21.141 -4.142 0.000) 21.543 37.204 ( 2.234 -0.133 -0.000) 2.238 37.211 ( 1.586 -0.642 0.000) 1.711 37.676 ( 37.120 11.797 0.000) 38.950 37.935 ( 37.268 -13.027 0.000) 39.479 40.610 ( -19.580 9.507 0.000) 21.766 40.799 ( -19.937 -8.687 0.000) 21.747 ======================= Grid point 177 (59/60) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 2.961 -0.326 -0.300) 2.993 1.295 ( 3.958 -0.487 0.300) 3.999 1.363 ( -1.645 0.067 0.000) 1.647 1.378 ( -0.162 -1.670 0.000) 1.678 1.583 ( 3.292 2.586 0.000) 4.186 1.608 ( 3.141 -0.072 0.000) 3.142 1.636 ( 5.576 0.336 0.000) 5.586 1.649 ( 3.817 -0.616 0.000) 3.866 1.760 ( -0.083 1.344 0.000) 1.346 1.761 ( -0.667 0.737 -0.000) 0.994 1.820 ( -2.291 -0.085 0.000) 2.293 1.833 ( -0.630 -0.383 0.000) 0.737 1.911 ( -1.342 2.073 0.000) 2.470 1.926 ( -1.093 0.867 0.000) 1.396 2.020 ( 0.185 3.090 0.000) 3.096 2.063 ( -1.086 -1.079 0.000) 1.531 2.231 ( 3.888 0.626 -0.000) 3.938 2.232 ( 4.164 0.653 0.000) 4.215 4.046 ( 4.013 5.439 0.000) 6.759 4.154 ( 0.588 -2.964 0.000) 3.021 4.190 ( 0.067 2.046 0.000) 2.047 4.329 ( -4.747 -8.956 0.000) 10.137 4.881 ( 0.449 4.633 0.000) 4.655 4.973 ( -3.795 -4.174 0.000) 5.641 5.227 ( 15.484 5.106 0.000) 16.304 5.324 ( 9.402 -4.154 0.000) 10.278 5.493 ( 8.280 1.197 0.000) 8.366 5.523 ( 13.679 -1.641 0.000) 13.777 6.268 ( -18.847 6.136 0.000) 19.821 6.377 ( -19.180 -4.300 0.000) 19.656 8.146 ( 2.540 3.606 0.000) 4.411 8.234 ( -1.579 -4.732 0.000) 4.988 8.355 ( 0.135 1.428 0.000) 1.435 8.384 ( -1.189 -1.270 0.000) 1.740 10.475 ( 0.399 4.971 0.000) 4.987 10.580 ( -4.447 -4.972 0.000) 6.671 13.439 ( 6.892 2.709 0.000) 7.405 13.448 ( 7.744 2.113 0.000) 8.027 14.063 ( 9.327 1.032 0.000) 9.384 14.139 ( 6.209 -5.893 0.000) 8.561 14.749 ( 0.811 1.735 0.000) 1.915 14.787 ( 0.395 -0.909 0.000) 0.991 15.653 ( 29.365 -2.220 -0.000) 29.448 15.661 ( 25.473 -3.219 0.000) 25.675 15.760 ( 13.407 1.960 0.000) 13.549 15.798 ( 6.671 -1.495 0.000) 6.836 16.730 ( 3.039 8.608 -0.000) 9.129 16.739 ( 2.467 7.436 0.000) 7.835 17.719 ( -24.225 9.861 -0.000) 26.155 17.777 ( -23.872 6.264 0.000) 24.680 18.688 ( 5.628 -6.784 0.000) 8.815 18.758 ( 5.016 -11.651 0.000) 12.684 19.235 ( -1.445 -2.055 0.000) 2.512 19.271 ( -2.929 -4.998 0.000) 5.793 20.102 ( 9.639 5.705 0.000) 11.201 20.118 ( 8.007 4.762 0.000) 9.316 22.372 ( 13.954 -6.548 0.000) 15.414 22.399 ( 13.758 -8.592 0.000) 16.221 22.804 ( 3.768 6.838 0.000) 7.807 22.971 ( -3.340 -9.364 0.000) 9.941 23.871 ( -12.111 4.783 0.000) 13.022 23.902 ( -11.075 1.667 0.000) 11.200 24.952 ( 3.302 -0.404 0.000) 3.326 24.978 ( 2.682 -3.182 0.000) 4.162 26.165 ( 8.573 24.958 0.000) 26.389 26.477 ( 0.516 4.731 0.000) 4.759 26.903 ( -5.864 7.650 0.000) 9.639 27.199 ( -10.432 -1.879 0.000) 10.600 27.214 ( -2.745 -2.970 0.000) 4.044 27.326 ( -8.845 -23.024 0.000) 24.664 28.743 ( 5.670 -0.450 0.000) 5.688 28.751 ( 4.898 -1.690 -0.000) 5.181 29.057 ( -4.930 1.683 0.000) 5.210 29.107 ( -6.038 -2.496 -0.000) 6.533 29.335 ( -0.967 3.666 -0.000) 3.792 29.369 ( -3.065 0.525 0.000) 3.109 31.704 ( -0.322 -0.422 0.000) 0.531 31.718 ( -0.976 -1.766 0.000) 2.017 32.430 ( -2.310 4.906 0.000) 5.422 32.520 ( -6.961 -3.717 0.000) 7.891 33.424 ( -1.677 1.927 0.000) 2.555 33.467 ( -3.750 -2.151 0.000) 4.323 35.091 ( 15.137 1.983 0.000) 15.266 35.141 ( 13.191 -2.765 0.000) 13.478 37.120 ( -5.352 0.149 0.000) 5.354 37.127 ( -5.578 -0.520 0.000) 5.603 38.565 ( 43.198 10.471 0.000) 44.449 38.796 ( 41.495 -11.621 0.000) 43.092 40.114 ( -28.082 9.188 0.000) 29.547 40.301 ( -27.999 -8.736 0.000) 29.330 ======================= Grid point 179 (60/60) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -1.197 0.345 0.000) 1.246 1.330 ( 1.197 0.345 0.000) 1.246 1.363 ( -1.648 -1.548 0.000) 2.261 1.363 ( 1.648 -1.548 -0.000) 2.261 1.625 ( -0.882 1.398 0.000) 1.653 1.625 ( 0.882 1.398 0.000) 1.653 1.733 ( -0.104 -0.123 -0.000) 0.162 1.733 ( 0.104 -0.123 0.000) 0.162 1.747 ( -1.487 0.125 -0.000) 1.492 1.747 ( 1.487 0.125 0.000) 1.492 1.782 ( -2.462 0.185 0.000) 2.469 1.782 ( 2.462 0.185 0.000) 2.469 1.909 ( -0.628 1.883 0.000) 1.985 1.909 ( 0.628 1.883 0.000) 1.985 2.033 ( -1.274 1.301 0.000) 1.821 2.033 ( 1.274 1.301 0.000) 1.821 2.276 ( -0.088 0.251 0.000) 0.266 2.276 ( 0.088 0.251 0.000) 0.266 4.124 ( -3.161 0.402 0.000) 3.186 4.124 ( 3.161 0.402 0.000) 3.186 4.233 ( -3.900 -3.077 0.000) 4.967 4.233 ( 3.900 -3.077 0.000) 4.967 4.906 ( -2.330 0.000 0.000) 2.330 4.906 ( 2.330 0.000 0.000) 2.330 5.375 ( -1.351 0.355 0.000) 1.397 5.375 ( 1.351 0.355 -0.000) 1.397 5.813 ( -13.683 3.222 0.000) 14.057 5.813 ( 13.683 3.222 0.000) 14.057 5.969 ( -14.538 -1.799 0.000) 14.649 5.969 ( 14.538 -1.799 0.000) 14.649 8.194 ( -2.155 -0.477 0.000) 2.208 8.194 ( 2.155 -0.477 0.000) 2.208 8.364 ( -0.700 0.074 0.000) 0.704 8.364 ( 0.700 0.074 0.000) 0.704 10.506 ( -2.571 -0.210 0.000) 2.580 10.506 ( 2.571 -0.210 0.000) 2.580 13.526 ( -0.589 3.193 0.000) 3.247 13.526 ( 0.589 3.193 0.000) 3.247 14.178 ( -1.949 -3.228 0.000) 3.771 14.178 ( 1.949 -3.228 0.000) 3.771 14.776 ( -1.318 -0.676 0.000) 1.481 14.776 ( 1.318 -0.676 0.000) 1.481 15.877 ( -0.515 -0.393 0.000) 0.648 15.877 ( 0.515 -0.393 0.000) 0.648 15.937 ( -0.172 -1.078 0.000) 1.092 15.937 ( 0.172 -1.078 0.000) 1.092 16.974 ( -2.299 4.512 0.000) 5.064 16.974 ( 2.299 4.512 0.000) 5.064 17.301 ( -4.296 10.719 0.000) 11.548 17.301 ( 4.296 10.719 0.000) 11.548 18.786 ( -2.367 -7.326 0.000) 7.699 18.786 ( 2.367 -7.326 0.000) 7.699 19.226 ( -1.052 -4.677 0.000) 4.794 19.226 ( 1.052 -4.677 0.000) 4.794 20.213 ( -0.219 5.295 0.000) 5.299 20.213 ( 0.219 5.295 0.000) 5.299 22.535 ( -1.056 -7.432 0.000) 7.506 22.535 ( 1.056 -7.432 0.000) 7.506 22.889 ( -4.288 -1.767 0.000) 4.638 22.889 ( 4.288 -1.767 0.000) 4.638 23.749 ( -1.519 2.630 0.000) 3.037 23.749 ( 1.519 2.630 0.000) 3.037 24.994 ( -0.838 -1.755 0.000) 1.945 24.994 ( 0.838 -1.755 0.000) 1.945 26.369 ( -9.714 24.040 0.000) 25.929 26.369 ( 9.714 24.040 0.000) 25.929 26.949 ( -9.683 -10.598 -0.000) 14.355 26.949 ( 9.683 -10.598 0.000) 14.355 27.239 ( -2.888 -7.824 0.000) 8.340 27.239 ( 2.888 -7.824 0.000) 8.340 28.811 ( -0.203 -1.252 0.000) 1.268 28.811 ( 0.204 -1.252 0.000) 1.269 29.011 ( -1.862 -0.315 0.000) 1.889 29.011 ( 1.862 -0.315 -0.000) 1.889 29.334 ( -0.750 1.765 -0.000) 1.918 29.334 ( 0.750 1.765 0.000) 1.918 31.704 ( -0.351 -0.913 0.000) 0.979 31.704 ( 0.351 -0.913 0.000) 0.979 32.427 ( -2.099 0.525 0.000) 2.164 32.427 ( 2.099 0.525 0.000) 2.164 33.418 ( -1.040 -0.212 0.000) 1.061 33.418 ( 1.040 -0.212 0.000) 1.061 35.272 ( -1.310 -0.186 0.000) 1.323 35.272 ( 1.310 -0.186 0.000) 1.323 37.057 ( -0.199 -0.201 0.000) 0.283 37.057 ( 0.199 -0.201 0.000) 0.283 39.358 ( -23.790 5.207 0.000) 24.353 39.358 ( 23.790 5.207 0.000) 24.353 39.683 ( -22.652 -5.520 0.000) 23.315 39.683 ( 22.652 -5.520 0.000) 23.315 =================== 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 3/21600 10.0 166.254 113.717 112.666 0.000 0.000 0.000 3/21600 20.0 69.813 42.076 32.801 0.000 0.000 0.000 3/21600 30.0 48.125 29.978 21.175 0.000 0.000 0.000 3/21600 40.0 33.959 21.641 14.990 0.000 0.000 0.000 3/21600 50.0 24.883 16.078 11.114 0.000 0.000 0.000 3/21600 60.0 19.147 12.493 8.622 0.000 0.000 0.000 3/21600 70.0 15.367 10.101 6.947 0.000 0.000 0.000 3/21600 80.0 12.724 8.411 5.758 0.000 0.000 0.000 3/21600 90.0 10.774 7.151 4.872 0.000 0.000 0.000 3/21600 100.0 9.277 6.173 4.186 0.000 0.000 0.000 3/21600 110.0 8.095 5.394 3.641 0.000 0.000 0.000 3/21600 120.0 7.145 4.762 3.200 0.000 0.000 0.000 3/21600 130.0 6.369 4.243 2.838 0.000 0.000 0.000 3/21600 140.0 5.729 3.812 2.538 0.000 0.000 0.000 3/21600 150.0 5.194 3.451 2.287 0.000 0.000 0.000 3/21600 160.0 4.743 3.145 2.076 0.000 0.000 0.000 3/21600 170.0 4.359 2.885 1.897 0.000 0.000 0.000 3/21600 180.0 4.029 2.661 1.743 0.000 0.000 0.000 3/21600 190.0 3.743 2.467 1.611 0.000 0.000 0.000 3/21600 200.0 3.493 2.298 1.495 0.000 0.000 0.000 3/21600 210.0 3.273 2.150 1.395 0.000 0.000 0.000 3/21600 220.0 3.079 2.018 1.306 0.000 0.000 0.000 3/21600 230.0 2.905 1.901 1.228 0.000 0.000 0.000 3/21600 240.0 2.750 1.797 1.158 0.000 0.000 0.000 3/21600 250.0 2.610 1.703 1.095 0.000 0.000 0.000 3/21600 260.0 2.483 1.618 1.039 0.000 0.000 0.000 3/21600 270.0 2.368 1.541 0.988 0.000 0.000 0.000 3/21600 280.0 2.263 1.470 0.942 0.000 0.000 0.000 3/21600 290.0 2.166 1.406 0.899 0.000 0.000 0.000 3/21600 300.0 2.078 1.347 0.861 0.000 0.000 0.000 3/21600 310.0 1.996 1.293 0.825 0.000 0.000 0.000 3/21600 320.0 1.920 1.243 0.793 0.000 0.000 0.000 3/21600 330.0 1.850 1.196 0.763 0.000 0.000 0.000 3/21600 340.0 1.785 1.153 0.735 0.000 0.000 0.000 3/21600 350.0 1.724 1.113 0.709 0.000 0.000 0.000 3/21600 360.0 1.668 1.076 0.685 0.000 0.000 0.000 3/21600 370.0 1.614 1.041 0.662 0.000 0.000 0.000 3/21600 380.0 1.565 1.008 0.641 0.000 0.000 0.000 3/21600 390.0 1.518 0.978 0.621 0.000 0.000 0.000 3/21600 400.0 1.474 0.949 0.603 0.000 0.000 0.000 3/21600 410.0 1.432 0.922 0.585 0.000 0.000 0.000 3/21600 420.0 1.393 0.896 0.569 0.000 0.000 0.000 3/21600 430.0 1.356 0.872 0.553 0.000 0.000 0.000 3/21600 440.0 1.321 0.849 0.538 0.000 0.000 0.000 3/21600 450.0 1.287 0.827 0.524 0.000 0.000 0.000 3/21600 460.0 1.256 0.806 0.511 0.000 0.000 0.000 3/21600 470.0 1.226 0.787 0.498 0.000 0.000 0.000 3/21600 480.0 1.197 0.768 0.486 0.000 0.000 0.000 3/21600 490.0 1.170 0.750 0.475 0.000 0.000 0.000 3/21600 500.0 1.143 0.733 0.464 0.000 0.000 0.000 3/21600 510.0 1.119 0.717 0.454 0.000 0.000 0.000 3/21600 520.0 1.095 0.702 0.444 0.000 0.000 0.000 3/21600 530.0 1.072 0.687 0.434 0.000 0.000 0.000 3/21600 540.0 1.050 0.673 0.425 0.000 0.000 0.000 3/21600 550.0 1.029 0.659 0.417 0.000 0.000 0.000 3/21600 560.0 1.009 0.646 0.408 0.000 0.000 0.000 3/21600 570.0 0.990 0.633 0.400 0.000 0.000 0.000 3/21600 580.0 0.971 0.621 0.393 0.000 0.000 0.000 3/21600 590.0 0.953 0.610 0.385 0.000 0.000 0.000 3/21600 600.0 0.936 0.599 0.378 0.000 0.000 0.000 3/21600 610.0 0.919 0.588 0.371 0.000 0.000 0.000 3/21600 620.0 0.903 0.578 0.365 0.000 0.000 0.000 3/21600 630.0 0.888 0.568 0.358 0.000 0.000 0.000 3/21600 640.0 0.873 0.558 0.352 0.000 0.000 0.000 3/21600 650.0 0.859 0.549 0.346 0.000 0.000 0.000 3/21600 660.0 0.845 0.540 0.340 0.000 0.000 0.000 3/21600 670.0 0.831 0.531 0.335 0.000 0.000 0.000 3/21600 680.0 0.818 0.523 0.329 0.000 0.000 0.000 3/21600 690.0 0.806 0.515 0.324 0.000 0.000 0.000 3/21600 700.0 0.793 0.507 0.319 0.000 0.000 0.000 3/21600 710.0 0.782 0.499 0.314 0.000 0.000 0.000 3/21600 720.0 0.770 0.492 0.310 0.000 0.000 0.000 3/21600 730.0 0.759 0.484 0.305 0.000 0.000 0.000 3/21600 740.0 0.748 0.477 0.301 0.000 0.000 0.000 3/21600 750.0 0.738 0.471 0.296 0.000 0.000 0.000 3/21600 760.0 0.727 0.464 0.292 0.000 0.000 0.000 3/21600 770.0 0.717 0.458 0.288 0.000 0.000 0.000 3/21600 780.0 0.708 0.452 0.284 0.000 0.000 0.000 3/21600 790.0 0.698 0.446 0.280 0.000 0.000 0.000 3/21600 800.0 0.689 0.440 0.277 0.000 0.000 0.000 3/21600 810.0 0.680 0.434 0.273 0.000 0.000 0.000 3/21600 820.0 0.672 0.428 0.269 0.000 0.000 0.000 3/21600 830.0 0.663 0.423 0.266 0.000 0.000 0.000 3/21600 840.0 0.655 0.418 0.263 0.000 0.000 0.000 3/21600 850.0 0.647 0.412 0.259 0.000 0.000 0.000 3/21600 860.0 0.639 0.407 0.256 0.000 0.000 0.000 3/21600 870.0 0.631 0.403 0.253 0.000 0.000 0.000 3/21600 880.0 0.624 0.398 0.250 0.000 0.000 0.000 3/21600 890.0 0.617 0.393 0.247 0.000 0.000 0.000 3/21600 900.0 0.610 0.389 0.244 0.000 0.000 0.000 3/21600 910.0 0.603 0.384 0.241 0.000 0.000 0.000 3/21600 920.0 0.596 0.380 0.238 0.000 0.000 0.000 3/21600 930.0 0.589 0.376 0.236 0.000 0.000 0.000 3/21600 940.0 0.583 0.371 0.233 0.000 0.000 0.000 3/21600 950.0 0.576 0.367 0.231 0.000 0.000 0.000 3/21600 960.0 0.570 0.363 0.228 0.000 0.000 0.000 3/21600 970.0 0.564 0.359 0.226 0.000 0.000 0.000 3/21600 980.0 0.558 0.356 0.223 0.000 0.000 0.000 3/21600 990.0 0.552 0.352 0.221 0.000 0.000 0.000 3/21600 1000.0 0.547 0.348 0.218 0.000 0.000 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m856.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:19:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|