----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:59:33]------------------------- 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: Pbam (55) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.001632120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.455526290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.417946320000000 Atomic positions (fractional): *1 O 0.63423528037410 0.58741595110726 0.00000000000000 15.999 2 O 0.36576471962590 0.41258404889273 0.00000000000000 15.999 3 O 0.13423528037410 0.91258404889274 0.00000000000000 15.999 4 O 0.86576471962590 0.08741595110726 0.00000000000000 15.999 *5 O 0.64632874715043 0.57917376445713 0.50000000000000 15.999 6 O 0.35367125284957 0.42082623554287 0.50000000000000 15.999 7 O 0.14632874715044 0.92082623554287 0.50000000000000 15.999 8 O 0.85367125284957 0.07917376445713 0.50000000000000 15.999 *9 O 0.34526282067518 0.67955916329155 0.74641860832922 15.999 10 O 0.65473717932482 0.32044083670845 0.74641860832922 15.999 11 O 0.84526282067518 0.82044083670845 0.25358139167078 15.999 12 O 0.15473717932482 0.17955916329155 0.25358139167078 15.999 13 O 0.84526282067518 0.82044083670845 0.74641860832922 15.999 14 O 0.15473717932482 0.17955916329155 0.74641860832922 15.999 15 O 0.34526282067518 0.67955916329155 0.25358139167078 15.999 16 O 0.65473717932482 0.32044083670845 0.25358139167078 15.999 *17 Pt 0.50000000000000 0.50000000000000 0.74845886284708 195.084 18 Pt 0.00000000000000 0.00000000000000 0.25154113715292 195.084 19 Pt 0.50000000000000 0.50000000000000 0.25154113715292 195.084 20 Pt 0.00000000000000 0.00000000000000 0.74845886284708 195.084 *21 Pb 0.10718875454992 0.67215750932250 0.50000000000000 207.200 22 Pb 0.89281124545008 0.32784249067749 0.50000000000000 207.200 23 Pb 0.60718875454992 0.82784249067750 0.50000000000000 207.200 24 Pb 0.39281124545008 0.17215750932251 0.50000000000000 207.200 *25 Pb 0.54420419926101 0.17907409164510 0.00000000000000 207.200 26 Pb 0.45579580073899 0.82092590835490 0.00000000000000 207.200 27 Pb 0.04420419926101 0.32092590835490 0.00000000000000 207.200 28 Pb 0.95579580073899 0.67907409164510 0.00000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.001632120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.455526290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.417946320000000 Atomic positions (fractional): *1 O 0.63423528037410 0.58741595110726 0.00000000000000 15.999 > 1 2 O 0.36576471962590 0.41258404889273 0.00000000000000 15.999 > 2 3 O 0.13423528037410 0.91258404889274 0.00000000000000 15.999 > 3 4 O 0.86576471962590 0.08741595110726 0.00000000000000 15.999 > 4 *5 O 0.64632874715043 0.57917376445713 0.50000000000000 15.999 > 5 6 O 0.35367125284957 0.42082623554287 0.50000000000000 15.999 > 6 7 O 0.14632874715044 0.92082623554287 0.50000000000000 15.999 > 7 8 O 0.85367125284957 0.07917376445713 0.50000000000000 15.999 > 8 *9 O 0.34526282067518 0.67955916329155 0.74641860832922 15.999 > 9 10 O 0.65473717932482 0.32044083670845 0.74641860832922 15.999 > 10 11 O 0.84526282067518 0.82044083670845 0.25358139167078 15.999 > 11 12 O 0.15473717932482 0.17955916329155 0.25358139167078 15.999 > 12 13 O 0.84526282067518 0.82044083670845 0.74641860832922 15.999 > 13 14 O 0.15473717932482 0.17955916329155 0.74641860832922 15.999 > 14 15 O 0.34526282067518 0.67955916329155 0.25358139167078 15.999 > 15 16 O 0.65473717932482 0.32044083670845 0.25358139167078 15.999 > 16 *17 Pt 0.50000000000000 0.50000000000000 0.74845886284708 195.084 > 17 18 Pt 0.00000000000000 0.00000000000000 0.25154113715292 195.084 > 18 19 Pt 0.50000000000000 0.50000000000000 0.25154113715292 195.084 > 19 20 Pt 0.00000000000000 0.00000000000000 0.74845886284708 195.084 > 20 *21 Pb 0.10718875454992 0.67215750932250 0.50000000000000 207.200 > 21 22 Pb 0.89281124545008 0.32784249067749 0.50000000000000 207.200 > 22 23 Pb 0.60718875454992 0.82784249067750 0.50000000000000 207.200 > 23 24 Pb 0.39281124545008 0.17215750932251 0.50000000000000 207.200 > 24 *25 Pb 0.54420419926101 0.17907409164510 0.00000000000000 207.200 > 25 26 Pb 0.45579580073899 0.82092590835490 0.00000000000000 207.200 > 26 27 Pb 0.04420419926101 0.32092590835490 0.00000000000000 207.200 > 27 28 Pb 0.95579580073899 0.67907409164510 0.00000000000000 207.200 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.003264240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.455526290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.835892640000001 Atomic positions (fractional): *1 O 0.31711764018705 0.58741595110726 0.00000000000000 15.999 > 1 2 O 0.81711764018705 0.58741595110726 0.00000000000000 15.999 > 1 3 O 0.31711764018705 0.58741595110726 0.50000000000000 15.999 > 1 4 O 0.81711764018705 0.58741595110726 0.50000000000000 15.999 > 1 5 O 0.18288235981295 0.41258404889273 0.00000000000000 15.999 > 2 6 O 0.68288235981295 0.41258404889273 0.00000000000000 15.999 > 2 7 O 0.18288235981295 0.41258404889273 0.50000000000000 15.999 > 2 8 O 0.68288235981295 0.41258404889273 0.50000000000000 15.999 > 2 9 O 0.06711764018705 0.91258404889274 0.00000000000000 15.999 > 3 10 O 0.56711764018705 0.91258404889274 0.00000000000000 15.999 > 3 11 O 0.06711764018705 0.91258404889274 0.50000000000000 15.999 > 3 12 O 0.56711764018705 0.91258404889274 0.50000000000000 15.999 > 3 13 O 0.43288235981295 0.08741595110726 0.00000000000000 15.999 > 4 14 O 0.93288235981295 0.08741595110726 0.00000000000000 15.999 > 4 15 O 0.43288235981295 0.08741595110726 0.50000000000000 15.999 > 4 16 O 0.93288235981295 0.08741595110726 0.50000000000000 15.999 > 4 *17 O 0.32316437357522 0.57917376445713 0.25000000000000 15.999 > 5 18 O 0.82316437357522 0.57917376445713 0.25000000000000 15.999 > 5 19 O 0.32316437357522 0.57917376445713 0.75000000000000 15.999 > 5 20 O 0.82316437357522 0.57917376445713 0.75000000000000 15.999 > 5 21 O 0.17683562642478 0.42082623554287 0.25000000000000 15.999 > 6 22 O 0.67683562642478 0.42082623554287 0.25000000000000 15.999 > 6 23 O 0.17683562642478 0.42082623554287 0.75000000000000 15.999 > 6 24 O 0.67683562642478 0.42082623554287 0.75000000000000 15.999 > 6 25 O 0.07316437357522 0.92082623554287 0.25000000000000 15.999 > 7 26 O 0.57316437357522 0.92082623554287 0.25000000000000 15.999 > 7 27 O 0.07316437357522 0.92082623554287 0.75000000000000 15.999 > 7 28 O 0.57316437357522 0.92082623554287 0.75000000000000 15.999 > 7 29 O 0.42683562642478 0.07917376445713 0.25000000000000 15.999 > 8 30 O 0.92683562642478 0.07917376445713 0.25000000000000 15.999 > 8 31 O 0.42683562642478 0.07917376445713 0.75000000000000 15.999 > 8 32 O 0.92683562642478 0.07917376445713 0.75000000000000 15.999 > 8 *33 O 0.17263141033759 0.67955916329155 0.37320930416461 15.999 > 9 34 O 0.67263141033759 0.67955916329155 0.37320930416461 15.999 > 9 35 O 0.17263141033759 0.67955916329155 0.87320930416461 15.999 > 9 36 O 0.67263141033759 0.67955916329155 0.87320930416461 15.999 > 9 37 O 0.32736858966241 0.32044083670845 0.37320930416461 15.999 > 10 38 O 0.82736858966241 0.32044083670845 0.37320930416461 15.999 > 10 39 O 0.32736858966241 0.32044083670845 0.87320930416461 15.999 > 10 40 O 0.82736858966241 0.32044083670845 0.87320930416461 15.999 > 10 41 O 0.42263141033759 0.82044083670845 0.12679069583539 15.999 > 11 42 O 0.92263141033759 0.82044083670845 0.12679069583539 15.999 > 11 43 O 0.42263141033759 0.82044083670845 0.62679069583539 15.999 > 11 44 O 0.92263141033759 0.82044083670845 0.62679069583539 15.999 > 11 45 O 0.07736858966241 0.17955916329155 0.12679069583539 15.999 > 12 46 O 0.57736858966241 0.17955916329155 0.12679069583539 15.999 > 12 47 O 0.07736858966241 0.17955916329155 0.62679069583539 15.999 > 12 48 O 0.57736858966241 0.17955916329155 0.62679069583539 15.999 > 12 49 O 0.42263141033759 0.82044083670845 0.37320930416461 15.999 > 13 50 O 0.92263141033759 0.82044083670845 0.37320930416461 15.999 > 13 51 O 0.42263141033759 0.82044083670845 0.87320930416461 15.999 > 13 52 O 0.92263141033759 0.82044083670845 0.87320930416461 15.999 > 13 53 O 0.07736858966241 0.17955916329155 0.37320930416461 15.999 > 14 54 O 0.57736858966241 0.17955916329155 0.37320930416461 15.999 > 14 55 O 0.07736858966241 0.17955916329155 0.87320930416461 15.999 > 14 56 O 0.57736858966241 0.17955916329155 0.87320930416461 15.999 > 14 57 O 0.17263141033759 0.67955916329155 0.12679069583539 15.999 > 15 58 O 0.67263141033759 0.67955916329155 0.12679069583539 15.999 > 15 59 O 0.17263141033759 0.67955916329155 0.62679069583539 15.999 > 15 60 O 0.67263141033759 0.67955916329155 0.62679069583539 15.999 > 15 61 O 0.32736858966241 0.32044083670845 0.12679069583539 15.999 > 16 62 O 0.82736858966241 0.32044083670845 0.12679069583539 15.999 > 16 63 O 0.32736858966241 0.32044083670845 0.62679069583539 15.999 > 16 64 O 0.82736858966241 0.32044083670845 0.62679069583539 15.999 > 16 *65 Pt 0.25000000000000 0.50000000000000 0.37422943142354 195.084 > 17 66 Pt 0.75000000000000 0.50000000000000 0.37422943142354 195.084 > 17 67 Pt 0.25000000000000 0.50000000000000 0.87422943142354 195.084 > 17 68 Pt 0.75000000000000 0.50000000000000 0.87422943142354 195.084 > 17 69 Pt 0.00000000000000 0.00000000000000 0.12577056857646 195.084 > 18 70 Pt 0.50000000000000 0.00000000000000 0.12577056857646 195.084 > 18 71 Pt 0.00000000000000 0.00000000000000 0.62577056857646 195.084 > 18 72 Pt 0.50000000000000 0.00000000000000 0.62577056857646 195.084 > 18 73 Pt 0.25000000000000 0.50000000000000 0.12577056857646 195.084 > 19 74 Pt 0.75000000000000 0.50000000000000 0.12577056857646 195.084 > 19 75 Pt 0.25000000000000 0.50000000000000 0.62577056857646 195.084 > 19 76 Pt 0.75000000000000 0.50000000000000 0.62577056857646 195.084 > 19 77 Pt 0.00000000000000 0.00000000000000 0.37422943142354 195.084 > 20 78 Pt 0.50000000000000 0.00000000000000 0.37422943142354 195.084 > 20 79 Pt 0.00000000000000 0.00000000000000 0.87422943142354 195.084 > 20 80 Pt 0.50000000000000 0.00000000000000 0.87422943142354 195.084 > 20 *81 Pb 0.05359437727496 0.67215750932250 0.25000000000000 207.200 > 21 82 Pb 0.55359437727496 0.67215750932250 0.25000000000000 207.200 > 21 83 Pb 0.05359437727496 0.67215750932250 0.75000000000000 207.200 > 21 84 Pb 0.55359437727496 0.67215750932250 0.75000000000000 207.200 > 21 85 Pb 0.44640562272504 0.32784249067749 0.25000000000000 207.200 > 22 86 Pb 0.94640562272504 0.32784249067749 0.25000000000000 207.200 > 22 87 Pb 0.44640562272504 0.32784249067749 0.75000000000000 207.200 > 22 88 Pb 0.94640562272504 0.32784249067749 0.75000000000000 207.200 > 22 89 Pb 0.30359437727496 0.82784249067750 0.25000000000000 207.200 > 23 90 Pb 0.80359437727496 0.82784249067750 0.25000000000000 207.200 > 23 91 Pb 0.30359437727496 0.82784249067750 0.75000000000000 207.200 > 23 92 Pb 0.80359437727496 0.82784249067750 0.75000000000000 207.200 > 23 93 Pb 0.19640562272504 0.17215750932251 0.25000000000000 207.200 > 24 94 Pb 0.69640562272504 0.17215750932251 0.25000000000000 207.200 > 24 95 Pb 0.19640562272504 0.17215750932251 0.75000000000000 207.200 > 24 96 Pb 0.69640562272504 0.17215750932251 0.75000000000000 207.200 > 24 *97 Pb 0.27210209963051 0.17907409164510 0.00000000000000 207.200 > 25 98 Pb 0.77210209963051 0.17907409164510 0.00000000000000 207.200 > 25 99 Pb 0.27210209963051 0.17907409164510 0.50000000000000 207.200 > 25 100 Pb 0.77210209963051 0.17907409164510 0.50000000000000 207.200 > 25 101 Pb 0.22789790036949 0.82092590835490 0.00000000000000 207.200 > 26 102 Pb 0.72789790036949 0.82092590835490 0.00000000000000 207.200 > 26 103 Pb 0.22789790036949 0.82092590835490 0.50000000000000 207.200 > 26 104 Pb 0.72789790036949 0.82092590835490 0.50000000000000 207.200 > 26 105 Pb 0.02210209963051 0.32092590835490 0.00000000000000 207.200 > 27 106 Pb 0.52210209963051 0.32092590835490 0.00000000000000 207.200 > 27 107 Pb 0.02210209963051 0.32092590835490 0.50000000000000 207.200 > 27 108 Pb 0.52210209963051 0.32092590835490 0.50000000000000 207.200 > 27 109 Pb 0.47789790036949 0.67907409164510 0.00000000000000 207.200 > 28 110 Pb 0.97789790036949 0.67907409164510 0.00000000000000 207.200 > 28 111 Pb 0.47789790036949 0.67907409164510 0.50000000000000 207.200 > 28 112 Pb 0.97789790036949 0.67907409164510 0.50000000000000 207.200 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7594981 0.0000000 0.0000000 0.0000000 8.6513765 0.0000000 0.0000000 0.0000000 10.3318764 -------------------------- Born effective charges -------------------------- 1 O -1.7382863 -0.3788129 0.0000000 -0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 2 O -1.7382863 -0.3788129 0.0000000 -0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 3 O -1.7382863 0.3788129 0.0000000 0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 4 O -1.7382863 0.3788129 0.0000000 0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 5 O -1.0112981 -0.2939253 0.0000000 -0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 6 O -1.0112981 -0.2939253 0.0000000 -0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 7 O -1.0112981 0.2939253 0.0000000 0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 8 O -1.0112981 0.2939253 0.0000000 0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 9 O -2.3721489 -0.0472776 -0.5464450 0.0926126 -2.1365793 -0.4732059 -0.6832573 -0.5646673 -2.3397401 10 O -2.3721489 -0.0472776 0.5464450 0.0926126 -2.1365793 0.4732059 0.6832573 0.5646673 -2.3397401 11 O -2.3721489 0.0472776 0.5464450 -0.0926126 -2.1365793 -0.4732059 0.6832573 -0.5646673 -2.3397401 12 O -2.3721489 0.0472776 -0.5464450 -0.0926126 -2.1365793 0.4732059 -0.6832573 0.5646673 -2.3397401 13 O -2.3721489 0.0472776 -0.5464450 -0.0926126 -2.1365793 0.4732059 -0.6832573 0.5646673 -2.3397401 14 O -2.3721489 0.0472776 0.5464450 -0.0926126 -2.1365793 -0.4732059 0.6832573 -0.5646673 -2.3397401 15 O -2.3721489 -0.0472776 0.5464450 0.0926126 -2.1365793 0.4732059 0.6832573 0.5646673 -2.3397401 16 O -2.3721489 -0.0472776 -0.5464450 0.0926126 -2.1365793 -0.4732059 -0.6832573 -0.5646673 -2.3397401 17 Pt 0.4094537 -0.6091092 0.0000000 -0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 18 Pt 0.4094537 0.6091092 0.0000000 0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 19 Pt 0.4094537 -0.6091092 0.0000000 -0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 20 Pt 0.4094537 0.6091092 0.0000000 0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 21 Pb 3.8227404 -0.8380050 0.0000000 -0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 22 Pb 3.8227404 -0.8380050 0.0000000 -0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 23 Pb 3.8227404 0.8380050 0.0000000 0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 24 Pb 3.8227404 0.8380050 0.0000000 0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 25 Pb 3.2616881 -0.1430166 0.0000000 -0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 26 Pb 3.2616881 -0.1430166 0.0000000 -0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 27 Pb 3.2616881 0.1430166 0.0000000 0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 28 Pb 3.2616881 0.1430166 0.0000000 0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1924 Number of blocks in projector: 1924 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: 460 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1924, 1890), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (324, 322), data: True |-- (324, 322), data: True |-- (460, 448), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.127 Solver_block: 200 / 480 - Time: 3.187 Solver_block: 300 / 480 - Time: 3.144 Solver_block: 400 / 480 - Time: 3.167 Solver_block: 480 / 480 - Time: 2.547 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.696 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1924 Number of blocks in projector: 1924 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: 460 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1924, 1890), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (324, 322), data: True |-- (324, 322), data: True |-- (460, 448), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 08:00:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:00:23]------------------------- 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: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.001632120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.455526290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.417946320000000 Atomic positions (fractional): 1 O 0.63423528037410 0.58741595110726 0.00000000000000 15.999 2 O 0.36576471962590 0.41258404889273 0.00000000000000 15.999 3 O 0.13423528037410 0.91258404889274 0.00000000000000 15.999 4 O 0.86576471962590 0.08741595110726 0.00000000000000 15.999 5 O 0.64632874715043 0.57917376445713 0.50000000000000 15.999 6 O 0.35367125284957 0.42082623554287 0.50000000000000 15.999 7 O 0.14632874715044 0.92082623554287 0.50000000000000 15.999 8 O 0.85367125284957 0.07917376445713 0.50000000000000 15.999 9 O 0.34526282067518 0.67955916329155 0.74641860832922 15.999 10 O 0.65473717932482 0.32044083670845 0.74641860832922 15.999 11 O 0.84526282067518 0.82044083670845 0.25358139167078 15.999 12 O 0.15473717932482 0.17955916329155 0.25358139167078 15.999 13 O 0.84526282067518 0.82044083670845 0.74641860832922 15.999 14 O 0.15473717932482 0.17955916329155 0.74641860832922 15.999 15 O 0.34526282067518 0.67955916329155 0.25358139167078 15.999 16 O 0.65473717932482 0.32044083670845 0.25358139167078 15.999 17 Pt 0.50000000000000 0.50000000000000 0.74845886284708 195.084 18 Pt 0.00000000000000 0.00000000000000 0.25154113715292 195.084 19 Pt 0.50000000000000 0.50000000000000 0.25154113715292 195.084 20 Pt 0.00000000000000 0.00000000000000 0.74845886284708 195.084 21 Pb 0.10718875454992 0.67215750932250 0.50000000000000 207.200 22 Pb 0.89281124545008 0.32784249067749 0.50000000000000 207.200 23 Pb 0.60718875454992 0.82784249067750 0.50000000000000 207.200 24 Pb 0.39281124545008 0.17215750932251 0.50000000000000 207.200 25 Pb 0.54420419926101 0.17907409164510 0.00000000000000 207.200 26 Pb 0.45579580073899 0.82092590835490 0.00000000000000 207.200 27 Pb 0.04420419926101 0.32092590835490 0.00000000000000 207.200 28 Pb 0.95579580073899 0.67907409164510 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.003264240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.455526290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.835892640000001 Atomic positions (fractional): 1 O 0.31711764018705 0.58741595110726 0.00000000000000 15.999 > 1 2 O 0.81711764018705 0.58741595110726 0.00000000000000 15.999 > 1 3 O 0.31711764018705 0.58741595110726 0.50000000000000 15.999 > 1 4 O 0.81711764018705 0.58741595110726 0.50000000000000 15.999 > 1 5 O 0.18288235981295 0.41258404889273 0.00000000000000 15.999 > 5 6 O 0.68288235981295 0.41258404889273 0.00000000000000 15.999 > 5 7 O 0.18288235981295 0.41258404889273 0.50000000000000 15.999 > 5 8 O 0.68288235981295 0.41258404889273 0.50000000000000 15.999 > 5 9 O 0.06711764018705 0.91258404889274 0.00000000000000 15.999 > 9 10 O 0.56711764018705 0.91258404889274 0.00000000000000 15.999 > 9 11 O 0.06711764018705 0.91258404889274 0.50000000000000 15.999 > 9 12 O 0.56711764018705 0.91258404889274 0.50000000000000 15.999 > 9 13 O 0.43288235981295 0.08741595110726 0.00000000000000 15.999 > 13 14 O 0.93288235981295 0.08741595110726 0.00000000000000 15.999 > 13 15 O 0.43288235981295 0.08741595110726 0.50000000000000 15.999 > 13 16 O 0.93288235981295 0.08741595110726 0.50000000000000 15.999 > 13 17 O 0.32316437357522 0.57917376445713 0.25000000000000 15.999 > 17 18 O 0.82316437357522 0.57917376445713 0.25000000000000 15.999 > 17 19 O 0.32316437357522 0.57917376445713 0.75000000000000 15.999 > 17 20 O 0.82316437357522 0.57917376445713 0.75000000000000 15.999 > 17 21 O 0.17683562642478 0.42082623554287 0.25000000000000 15.999 > 21 22 O 0.67683562642478 0.42082623554287 0.25000000000000 15.999 > 21 23 O 0.17683562642478 0.42082623554287 0.75000000000000 15.999 > 21 24 O 0.67683562642478 0.42082623554287 0.75000000000000 15.999 > 21 25 O 0.07316437357522 0.92082623554287 0.25000000000000 15.999 > 25 26 O 0.57316437357522 0.92082623554287 0.25000000000000 15.999 > 25 27 O 0.07316437357522 0.92082623554287 0.75000000000000 15.999 > 25 28 O 0.57316437357522 0.92082623554287 0.75000000000000 15.999 > 25 29 O 0.42683562642478 0.07917376445713 0.25000000000000 15.999 > 29 30 O 0.92683562642478 0.07917376445713 0.25000000000000 15.999 > 29 31 O 0.42683562642478 0.07917376445713 0.75000000000000 15.999 > 29 32 O 0.92683562642478 0.07917376445713 0.75000000000000 15.999 > 29 33 O 0.17263141033759 0.67955916329155 0.37320930416461 15.999 > 33 34 O 0.67263141033759 0.67955916329155 0.37320930416461 15.999 > 33 35 O 0.17263141033759 0.67955916329155 0.87320930416461 15.999 > 33 36 O 0.67263141033759 0.67955916329155 0.87320930416461 15.999 > 33 37 O 0.32736858966241 0.32044083670845 0.37320930416461 15.999 > 37 38 O 0.82736858966241 0.32044083670845 0.37320930416461 15.999 > 37 39 O 0.32736858966241 0.32044083670845 0.87320930416461 15.999 > 37 40 O 0.82736858966241 0.32044083670845 0.87320930416461 15.999 > 37 41 O 0.42263141033759 0.82044083670845 0.12679069583539 15.999 > 41 42 O 0.92263141033759 0.82044083670845 0.12679069583539 15.999 > 41 43 O 0.42263141033759 0.82044083670845 0.62679069583539 15.999 > 41 44 O 0.92263141033759 0.82044083670845 0.62679069583539 15.999 > 41 45 O 0.07736858966241 0.17955916329155 0.12679069583539 15.999 > 45 46 O 0.57736858966241 0.17955916329155 0.12679069583539 15.999 > 45 47 O 0.07736858966241 0.17955916329155 0.62679069583539 15.999 > 45 48 O 0.57736858966241 0.17955916329155 0.62679069583539 15.999 > 45 49 O 0.42263141033759 0.82044083670845 0.37320930416461 15.999 > 49 50 O 0.92263141033759 0.82044083670845 0.37320930416461 15.999 > 49 51 O 0.42263141033759 0.82044083670845 0.87320930416461 15.999 > 49 52 O 0.92263141033759 0.82044083670845 0.87320930416461 15.999 > 49 53 O 0.07736858966241 0.17955916329155 0.37320930416461 15.999 > 53 54 O 0.57736858966241 0.17955916329155 0.37320930416461 15.999 > 53 55 O 0.07736858966241 0.17955916329155 0.87320930416461 15.999 > 53 56 O 0.57736858966241 0.17955916329155 0.87320930416461 15.999 > 53 57 O 0.17263141033759 0.67955916329155 0.12679069583539 15.999 > 57 58 O 0.67263141033759 0.67955916329155 0.12679069583539 15.999 > 57 59 O 0.17263141033759 0.67955916329155 0.62679069583539 15.999 > 57 60 O 0.67263141033759 0.67955916329155 0.62679069583539 15.999 > 57 61 O 0.32736858966241 0.32044083670845 0.12679069583539 15.999 > 61 62 O 0.82736858966241 0.32044083670845 0.12679069583539 15.999 > 61 63 O 0.32736858966241 0.32044083670845 0.62679069583539 15.999 > 61 64 O 0.82736858966241 0.32044083670845 0.62679069583539 15.999 > 61 65 Pt 0.25000000000000 0.50000000000000 0.37422943142354 195.084 > 65 66 Pt 0.75000000000000 0.50000000000000 0.37422943142354 195.084 > 65 67 Pt 0.25000000000000 0.50000000000000 0.87422943142354 195.084 > 65 68 Pt 0.75000000000000 0.50000000000000 0.87422943142354 195.084 > 65 69 Pt 0.00000000000000 0.00000000000000 0.12577056857646 195.084 > 69 70 Pt 0.50000000000000 0.00000000000000 0.12577056857646 195.084 > 69 71 Pt 0.00000000000000 0.00000000000000 0.62577056857646 195.084 > 69 72 Pt 0.50000000000000 0.00000000000000 0.62577056857646 195.084 > 69 73 Pt 0.25000000000000 0.50000000000000 0.12577056857646 195.084 > 73 74 Pt 0.75000000000000 0.50000000000000 0.12577056857646 195.084 > 73 75 Pt 0.25000000000000 0.50000000000000 0.62577056857646 195.084 > 73 76 Pt 0.75000000000000 0.50000000000000 0.62577056857646 195.084 > 73 77 Pt 0.00000000000000 0.00000000000000 0.37422943142354 195.084 > 77 78 Pt 0.50000000000000 0.00000000000000 0.37422943142354 195.084 > 77 79 Pt 0.00000000000000 0.00000000000000 0.87422943142354 195.084 > 77 80 Pt 0.50000000000000 0.00000000000000 0.87422943142354 195.084 > 77 81 Pb 0.05359437727496 0.67215750932250 0.25000000000000 207.200 > 81 82 Pb 0.55359437727496 0.67215750932250 0.25000000000000 207.200 > 81 83 Pb 0.05359437727496 0.67215750932250 0.75000000000000 207.200 > 81 84 Pb 0.55359437727496 0.67215750932250 0.75000000000000 207.200 > 81 85 Pb 0.44640562272504 0.32784249067749 0.25000000000000 207.200 > 85 86 Pb 0.94640562272504 0.32784249067749 0.25000000000000 207.200 > 85 87 Pb 0.44640562272504 0.32784249067749 0.75000000000000 207.200 > 85 88 Pb 0.94640562272504 0.32784249067749 0.75000000000000 207.200 > 85 89 Pb 0.30359437727496 0.82784249067750 0.25000000000000 207.200 > 89 90 Pb 0.80359437727496 0.82784249067750 0.25000000000000 207.200 > 89 91 Pb 0.30359437727496 0.82784249067750 0.75000000000000 207.200 > 89 92 Pb 0.80359437727496 0.82784249067750 0.75000000000000 207.200 > 89 93 Pb 0.19640562272504 0.17215750932251 0.25000000000000 207.200 > 93 94 Pb 0.69640562272504 0.17215750932251 0.25000000000000 207.200 > 93 95 Pb 0.19640562272504 0.17215750932251 0.75000000000000 207.200 > 93 96 Pb 0.69640562272504 0.17215750932251 0.75000000000000 207.200 > 93 97 Pb 0.27210209963051 0.17907409164510 0.00000000000000 207.200 > 97 98 Pb 0.77210209963051 0.17907409164510 0.00000000000000 207.200 > 97 99 Pb 0.27210209963051 0.17907409164510 0.50000000000000 207.200 > 97 100 Pb 0.77210209963051 0.17907409164510 0.50000000000000 207.200 > 97 101 Pb 0.22789790036949 0.82092590835490 0.00000000000000 207.200 > 101 102 Pb 0.72789790036949 0.82092590835490 0.00000000000000 207.200 > 101 103 Pb 0.22789790036949 0.82092590835490 0.50000000000000 207.200 > 101 104 Pb 0.72789790036949 0.82092590835490 0.50000000000000 207.200 > 101 105 Pb 0.02210209963051 0.32092590835490 0.00000000000000 207.200 > 105 106 Pb 0.52210209963051 0.32092590835490 0.00000000000000 207.200 > 105 107 Pb 0.02210209963051 0.32092590835490 0.50000000000000 207.200 > 105 108 Pb 0.52210209963051 0.32092590835490 0.50000000000000 207.200 > 105 109 Pb 0.47789790036949 0.67907409164510 0.00000000000000 207.200 > 109 110 Pb 0.97789790036949 0.67907409164510 0.00000000000000 207.200 > 109 111 Pb 0.47789790036949 0.67907409164510 0.50000000000000 207.200 > 109 112 Pb 0.97789790036949 0.67907409164510 0.50000000000000 207.200 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7594981 0.0000000 0.0000000 0.0000000 8.6513765 0.0000000 0.0000000 0.0000000 10.3318764 -------------------------- Born effective charges -------------------------- 1 O -1.7382863 -0.3788129 0.0000000 -0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 2 O -1.7382863 -0.3788129 0.0000000 -0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 3 O -1.7382863 0.3788129 0.0000000 0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 4 O -1.7382863 0.3788129 0.0000000 0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 5 O -1.0112981 -0.2939253 0.0000000 -0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 6 O -1.0112981 -0.2939253 0.0000000 -0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 7 O -1.0112981 0.2939253 0.0000000 0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 8 O -1.0112981 0.2939253 0.0000000 0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 9 O -2.3721489 -0.0472776 -0.5464450 0.0926126 -2.1365793 -0.4732059 -0.6832573 -0.5646673 -2.3397401 10 O -2.3721489 -0.0472776 0.5464450 0.0926126 -2.1365793 0.4732059 0.6832573 0.5646673 -2.3397401 11 O -2.3721489 0.0472776 0.5464450 -0.0926126 -2.1365793 -0.4732059 0.6832573 -0.5646673 -2.3397401 12 O -2.3721489 0.0472776 -0.5464450 -0.0926126 -2.1365793 0.4732059 -0.6832573 0.5646673 -2.3397401 13 O -2.3721489 0.0472776 -0.5464450 -0.0926126 -2.1365793 0.4732059 -0.6832573 0.5646673 -2.3397401 14 O -2.3721489 0.0472776 0.5464450 -0.0926126 -2.1365793 -0.4732059 0.6832573 -0.5646673 -2.3397401 15 O -2.3721489 -0.0472776 0.5464450 0.0926126 -2.1365793 0.4732059 0.6832573 0.5646673 -2.3397401 16 O -2.3721489 -0.0472776 -0.5464450 0.0926126 -2.1365793 -0.4732059 -0.6832573 -0.5646673 -2.3397401 17 Pt 0.4094537 -0.6091092 0.0000000 -0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 18 Pt 0.4094537 0.6091092 0.0000000 0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 19 Pt 0.4094537 -0.6091092 0.0000000 -0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 20 Pt 0.4094537 0.6091092 0.0000000 0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 21 Pb 3.8227404 -0.8380050 0.0000000 -0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 22 Pb 3.8227404 -0.8380050 0.0000000 -0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 23 Pb 3.8227404 0.8380050 0.0000000 0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 24 Pb 3.8227404 0.8380050 0.0000000 0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 25 Pb 3.2616881 -0.1430166 0.0000000 -0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 26 Pb 3.2616881 -0.1430166 0.0000000 -0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 27 Pb 3.2616881 0.1430166 0.0000000 0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 28 Pb 3.2616881 0.1430166 0.0000000 0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) 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 08:00:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:00:48]------------------------- 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: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.001632120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.455526290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.417946320000000 Atomic positions (fractional): 1 O 0.63423528037410 0.58741595110726 0.00000000000000 15.999 2 O 0.36576471962590 0.41258404889273 0.00000000000000 15.999 3 O 0.13423528037410 0.91258404889274 0.00000000000000 15.999 4 O 0.86576471962590 0.08741595110726 0.00000000000000 15.999 5 O 0.64632874715043 0.57917376445713 0.50000000000000 15.999 6 O 0.35367125284957 0.42082623554287 0.50000000000000 15.999 7 O 0.14632874715044 0.92082623554287 0.50000000000000 15.999 8 O 0.85367125284957 0.07917376445713 0.50000000000000 15.999 9 O 0.34526282067518 0.67955916329155 0.74641860832922 15.999 10 O 0.65473717932482 0.32044083670845 0.74641860832922 15.999 11 O 0.84526282067518 0.82044083670845 0.25358139167078 15.999 12 O 0.15473717932482 0.17955916329155 0.25358139167078 15.999 13 O 0.84526282067518 0.82044083670845 0.74641860832922 15.999 14 O 0.15473717932482 0.17955916329155 0.74641860832922 15.999 15 O 0.34526282067518 0.67955916329155 0.25358139167078 15.999 16 O 0.65473717932482 0.32044083670845 0.25358139167078 15.999 17 Pt 0.50000000000000 0.50000000000000 0.74845886284708 195.084 18 Pt 0.00000000000000 0.00000000000000 0.25154113715292 195.084 19 Pt 0.50000000000000 0.50000000000000 0.25154113715292 195.084 20 Pt 0.00000000000000 0.00000000000000 0.74845886284708 195.084 21 Pb 0.10718875454992 0.67215750932250 0.50000000000000 207.200 22 Pb 0.89281124545008 0.32784249067749 0.50000000000000 207.200 23 Pb 0.60718875454992 0.82784249067750 0.50000000000000 207.200 24 Pb 0.39281124545008 0.17215750932251 0.50000000000000 207.200 25 Pb 0.54420419926101 0.17907409164510 0.00000000000000 207.200 26 Pb 0.45579580073899 0.82092590835490 0.00000000000000 207.200 27 Pb 0.04420419926101 0.32092590835490 0.00000000000000 207.200 28 Pb 0.95579580073899 0.67907409164510 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.003264240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.455526290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.835892640000001 Atomic positions (fractional): 1 O 0.31711764018705 0.58741595110726 0.00000000000000 15.999 > 1 2 O 0.81711764018705 0.58741595110726 0.00000000000000 15.999 > 1 3 O 0.31711764018705 0.58741595110726 0.50000000000000 15.999 > 1 4 O 0.81711764018705 0.58741595110726 0.50000000000000 15.999 > 1 5 O 0.18288235981295 0.41258404889273 0.00000000000000 15.999 > 5 6 O 0.68288235981295 0.41258404889273 0.00000000000000 15.999 > 5 7 O 0.18288235981295 0.41258404889273 0.50000000000000 15.999 > 5 8 O 0.68288235981295 0.41258404889273 0.50000000000000 15.999 > 5 9 O 0.06711764018705 0.91258404889274 0.00000000000000 15.999 > 9 10 O 0.56711764018705 0.91258404889274 0.00000000000000 15.999 > 9 11 O 0.06711764018705 0.91258404889274 0.50000000000000 15.999 > 9 12 O 0.56711764018705 0.91258404889274 0.50000000000000 15.999 > 9 13 O 0.43288235981295 0.08741595110726 0.00000000000000 15.999 > 13 14 O 0.93288235981295 0.08741595110726 0.00000000000000 15.999 > 13 15 O 0.43288235981295 0.08741595110726 0.50000000000000 15.999 > 13 16 O 0.93288235981295 0.08741595110726 0.50000000000000 15.999 > 13 17 O 0.32316437357522 0.57917376445713 0.25000000000000 15.999 > 17 18 O 0.82316437357522 0.57917376445713 0.25000000000000 15.999 > 17 19 O 0.32316437357522 0.57917376445713 0.75000000000000 15.999 > 17 20 O 0.82316437357522 0.57917376445713 0.75000000000000 15.999 > 17 21 O 0.17683562642478 0.42082623554287 0.25000000000000 15.999 > 21 22 O 0.67683562642478 0.42082623554287 0.25000000000000 15.999 > 21 23 O 0.17683562642478 0.42082623554287 0.75000000000000 15.999 > 21 24 O 0.67683562642478 0.42082623554287 0.75000000000000 15.999 > 21 25 O 0.07316437357522 0.92082623554287 0.25000000000000 15.999 > 25 26 O 0.57316437357522 0.92082623554287 0.25000000000000 15.999 > 25 27 O 0.07316437357522 0.92082623554287 0.75000000000000 15.999 > 25 28 O 0.57316437357522 0.92082623554287 0.75000000000000 15.999 > 25 29 O 0.42683562642478 0.07917376445713 0.25000000000000 15.999 > 29 30 O 0.92683562642478 0.07917376445713 0.25000000000000 15.999 > 29 31 O 0.42683562642478 0.07917376445713 0.75000000000000 15.999 > 29 32 O 0.92683562642478 0.07917376445713 0.75000000000000 15.999 > 29 33 O 0.17263141033759 0.67955916329155 0.37320930416461 15.999 > 33 34 O 0.67263141033759 0.67955916329155 0.37320930416461 15.999 > 33 35 O 0.17263141033759 0.67955916329155 0.87320930416461 15.999 > 33 36 O 0.67263141033759 0.67955916329155 0.87320930416461 15.999 > 33 37 O 0.32736858966241 0.32044083670845 0.37320930416461 15.999 > 37 38 O 0.82736858966241 0.32044083670845 0.37320930416461 15.999 > 37 39 O 0.32736858966241 0.32044083670845 0.87320930416461 15.999 > 37 40 O 0.82736858966241 0.32044083670845 0.87320930416461 15.999 > 37 41 O 0.42263141033759 0.82044083670845 0.12679069583539 15.999 > 41 42 O 0.92263141033759 0.82044083670845 0.12679069583539 15.999 > 41 43 O 0.42263141033759 0.82044083670845 0.62679069583539 15.999 > 41 44 O 0.92263141033759 0.82044083670845 0.62679069583539 15.999 > 41 45 O 0.07736858966241 0.17955916329155 0.12679069583539 15.999 > 45 46 O 0.57736858966241 0.17955916329155 0.12679069583539 15.999 > 45 47 O 0.07736858966241 0.17955916329155 0.62679069583539 15.999 > 45 48 O 0.57736858966241 0.17955916329155 0.62679069583539 15.999 > 45 49 O 0.42263141033759 0.82044083670845 0.37320930416461 15.999 > 49 50 O 0.92263141033759 0.82044083670845 0.37320930416461 15.999 > 49 51 O 0.42263141033759 0.82044083670845 0.87320930416461 15.999 > 49 52 O 0.92263141033759 0.82044083670845 0.87320930416461 15.999 > 49 53 O 0.07736858966241 0.17955916329155 0.37320930416461 15.999 > 53 54 O 0.57736858966241 0.17955916329155 0.37320930416461 15.999 > 53 55 O 0.07736858966241 0.17955916329155 0.87320930416461 15.999 > 53 56 O 0.57736858966241 0.17955916329155 0.87320930416461 15.999 > 53 57 O 0.17263141033759 0.67955916329155 0.12679069583539 15.999 > 57 58 O 0.67263141033759 0.67955916329155 0.12679069583539 15.999 > 57 59 O 0.17263141033759 0.67955916329155 0.62679069583539 15.999 > 57 60 O 0.67263141033759 0.67955916329155 0.62679069583539 15.999 > 57 61 O 0.32736858966241 0.32044083670845 0.12679069583539 15.999 > 61 62 O 0.82736858966241 0.32044083670845 0.12679069583539 15.999 > 61 63 O 0.32736858966241 0.32044083670845 0.62679069583539 15.999 > 61 64 O 0.82736858966241 0.32044083670845 0.62679069583539 15.999 > 61 65 Pt 0.25000000000000 0.50000000000000 0.37422943142354 195.084 > 65 66 Pt 0.75000000000000 0.50000000000000 0.37422943142354 195.084 > 65 67 Pt 0.25000000000000 0.50000000000000 0.87422943142354 195.084 > 65 68 Pt 0.75000000000000 0.50000000000000 0.87422943142354 195.084 > 65 69 Pt 0.00000000000000 0.00000000000000 0.12577056857646 195.084 > 69 70 Pt 0.50000000000000 0.00000000000000 0.12577056857646 195.084 > 69 71 Pt 0.00000000000000 0.00000000000000 0.62577056857646 195.084 > 69 72 Pt 0.50000000000000 0.00000000000000 0.62577056857646 195.084 > 69 73 Pt 0.25000000000000 0.50000000000000 0.12577056857646 195.084 > 73 74 Pt 0.75000000000000 0.50000000000000 0.12577056857646 195.084 > 73 75 Pt 0.25000000000000 0.50000000000000 0.62577056857646 195.084 > 73 76 Pt 0.75000000000000 0.50000000000000 0.62577056857646 195.084 > 73 77 Pt 0.00000000000000 0.00000000000000 0.37422943142354 195.084 > 77 78 Pt 0.50000000000000 0.00000000000000 0.37422943142354 195.084 > 77 79 Pt 0.00000000000000 0.00000000000000 0.87422943142354 195.084 > 77 80 Pt 0.50000000000000 0.00000000000000 0.87422943142354 195.084 > 77 81 Pb 0.05359437727496 0.67215750932250 0.25000000000000 207.200 > 81 82 Pb 0.55359437727496 0.67215750932250 0.25000000000000 207.200 > 81 83 Pb 0.05359437727496 0.67215750932250 0.75000000000000 207.200 > 81 84 Pb 0.55359437727496 0.67215750932250 0.75000000000000 207.200 > 81 85 Pb 0.44640562272504 0.32784249067749 0.25000000000000 207.200 > 85 86 Pb 0.94640562272504 0.32784249067749 0.25000000000000 207.200 > 85 87 Pb 0.44640562272504 0.32784249067749 0.75000000000000 207.200 > 85 88 Pb 0.94640562272504 0.32784249067749 0.75000000000000 207.200 > 85 89 Pb 0.30359437727496 0.82784249067750 0.25000000000000 207.200 > 89 90 Pb 0.80359437727496 0.82784249067750 0.25000000000000 207.200 > 89 91 Pb 0.30359437727496 0.82784249067750 0.75000000000000 207.200 > 89 92 Pb 0.80359437727496 0.82784249067750 0.75000000000000 207.200 > 89 93 Pb 0.19640562272504 0.17215750932251 0.25000000000000 207.200 > 93 94 Pb 0.69640562272504 0.17215750932251 0.25000000000000 207.200 > 93 95 Pb 0.19640562272504 0.17215750932251 0.75000000000000 207.200 > 93 96 Pb 0.69640562272504 0.17215750932251 0.75000000000000 207.200 > 93 97 Pb 0.27210209963051 0.17907409164510 0.00000000000000 207.200 > 97 98 Pb 0.77210209963051 0.17907409164510 0.00000000000000 207.200 > 97 99 Pb 0.27210209963051 0.17907409164510 0.50000000000000 207.200 > 97 100 Pb 0.77210209963051 0.17907409164510 0.50000000000000 207.200 > 97 101 Pb 0.22789790036949 0.82092590835490 0.00000000000000 207.200 > 101 102 Pb 0.72789790036949 0.82092590835490 0.00000000000000 207.200 > 101 103 Pb 0.22789790036949 0.82092590835490 0.50000000000000 207.200 > 101 104 Pb 0.72789790036949 0.82092590835490 0.50000000000000 207.200 > 101 105 Pb 0.02210209963051 0.32092590835490 0.00000000000000 207.200 > 105 106 Pb 0.52210209963051 0.32092590835490 0.00000000000000 207.200 > 105 107 Pb 0.02210209963051 0.32092590835490 0.50000000000000 207.200 > 105 108 Pb 0.52210209963051 0.32092590835490 0.50000000000000 207.200 > 105 109 Pb 0.47789790036949 0.67907409164510 0.00000000000000 207.200 > 109 110 Pb 0.97789790036949 0.67907409164510 0.00000000000000 207.200 > 109 111 Pb 0.47789790036949 0.67907409164510 0.50000000000000 207.200 > 109 112 Pb 0.97789790036949 0.67907409164510 0.50000000000000 207.200 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7594981 0.0000000 0.0000000 0.0000000 8.6513765 0.0000000 0.0000000 0.0000000 10.3318764 -------------------------- Born effective charges -------------------------- 1 O -1.7382863 -0.3788129 0.0000000 -0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 2 O -1.7382863 -0.3788129 0.0000000 -0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 3 O -1.7382863 0.3788129 0.0000000 0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 4 O -1.7382863 0.3788129 0.0000000 0.4492378 -1.8686372 0.0000000 0.0000000 0.0000000 -2.3038147 5 O -1.0112981 -0.2939253 0.0000000 -0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 6 O -1.0112981 -0.2939253 0.0000000 -0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 7 O -1.0112981 0.2939253 0.0000000 0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 8 O -1.0112981 0.2939253 0.0000000 0.1867573 -2.3130219 0.0000000 0.0000000 0.0000000 -2.2524641 9 O -2.3721489 -0.0472776 -0.5464450 0.0926126 -2.1365793 -0.4732059 -0.6832573 -0.5646673 -2.3397401 10 O -2.3721489 -0.0472776 0.5464450 0.0926126 -2.1365793 0.4732059 0.6832573 0.5646673 -2.3397401 11 O -2.3721489 0.0472776 0.5464450 -0.0926126 -2.1365793 -0.4732059 0.6832573 -0.5646673 -2.3397401 12 O -2.3721489 0.0472776 -0.5464450 -0.0926126 -2.1365793 0.4732059 -0.6832573 0.5646673 -2.3397401 13 O -2.3721489 0.0472776 -0.5464450 -0.0926126 -2.1365793 0.4732059 -0.6832573 0.5646673 -2.3397401 14 O -2.3721489 0.0472776 0.5464450 -0.0926126 -2.1365793 -0.4732059 0.6832573 -0.5646673 -2.3397401 15 O -2.3721489 -0.0472776 0.5464450 0.0926126 -2.1365793 0.4732059 0.6832573 0.5646673 -2.3397401 16 O -2.3721489 -0.0472776 -0.5464450 0.0926126 -2.1365793 -0.4732059 -0.6832573 -0.5646673 -2.3397401 17 Pt 0.4094537 -0.6091092 0.0000000 -0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 18 Pt 0.4094537 0.6091092 0.0000000 0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 19 Pt 0.4094537 -0.6091092 0.0000000 -0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 20 Pt 0.4094537 0.6091092 0.0000000 0.5114643 2.3176758 0.0000000 0.0000000 0.0000000 3.6406530 21 Pb 3.8227404 -0.8380050 0.0000000 -0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 22 Pb 3.8227404 -0.8380050 0.0000000 -0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 23 Pb 3.8227404 0.8380050 0.0000000 0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 24 Pb 3.8227404 0.8380050 0.0000000 0.7485802 2.9276317 0.0000000 0.0000000 0.0000000 2.7783231 25 Pb 3.2616881 -0.1430166 0.0000000 -0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 26 Pb 3.2616881 -0.1430166 0.0000000 -0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 27 Pb 3.2616881 0.1430166 0.0000000 0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 28 Pb 3.2616881 0.1430166 0.0000000 0.1121800 3.2095103 0.0000000 0.0000000 0.0000000 2.8167829 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 7 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 307, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 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 0.962 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.559 ( 0.000 0.000 0.000) 0.000 11.978 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.954 ( 0.000 0.000 0.000) 0.000 13.412 ( 0.000 0.000 0.000) 0.000 13.535 ( 0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 14.101 ( 0.000 0.000 0.000) 0.000 14.219 ( 0.000 0.000 0.000) 0.000 14.375 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.449 ( 0.000 0.000 0.000) 0.000 14.983 ( 0.000 0.000 0.000) 0.000 15.036 ( 0.000 0.000 0.000) 0.000 15.124 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.252 ( 0.000 0.000 0.000) 0.000 15.271 ( 0.000 0.000 0.000) 0.000 15.371 ( 0.000 0.000 0.000) 0.000 15.396 ( 0.000 0.000 0.000) 0.000 15.578 ( 0.000 0.000 0.000) 0.000 15.613 ( 0.000 0.000 0.000) 0.000 15.677 ( 0.000 0.000 0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 16.240 ( 0.000 0.000 0.000) 0.000 16.343 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 16.508 ( 0.000 0.000 0.000) 0.000 16.668 ( 0.000 0.000 0.000) 0.000 16.717 ( 0.000 0.000 0.000) 0.000 16.774 ( 0.000 0.000 0.000) 0.000 16.957 ( 0.000 0.000 0.000) 0.000 17.059 ( 0.000 0.000 0.000) 0.000 17.350 ( 0.000 0.000 0.000) 0.000 17.658 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 16.140 0.000 0.000) 16.140 0.379 ( 18.397 0.000 0.000) 18.397 0.402 ( 19.008 0.000 0.000) 19.008 1.047 ( 7.819 0.000 0.000) 7.819 1.311 ( 18.650 0.000 0.000) 18.650 1.316 ( 4.484 0.000 0.000) 4.484 1.657 ( -7.082 0.000 0.000) 7.082 1.698 ( -0.585 0.000 0.000) 0.585 1.852 ( 3.084 0.000 0.000) 3.084 1.919 ( 5.307 0.000 0.000) 5.307 2.016 ( -11.079 0.000 0.000) 11.079 2.048 ( -0.693 0.000 0.000) 0.693 2.059 ( -5.561 0.000 0.000) 5.561 2.170 ( -1.238 0.000 0.000) 1.238 2.276 ( 2.876 0.000 0.000) 2.876 2.449 ( -0.829 0.000 0.000) 0.829 2.469 ( 5.517 0.000 0.000) 5.517 2.469 ( -0.615 0.000 0.000) 0.615 2.498 ( 11.799 0.000 0.000) 11.799 2.650 ( 8.963 0.000 0.000) 8.963 2.695 ( -2.123 0.000 0.000) 2.123 3.179 ( -1.800 0.000 0.000) 1.800 3.276 ( -1.369 0.000 0.000) 1.369 3.468 ( -1.855 0.000 0.000) 1.855 3.479 ( -1.446 0.000 0.000) 1.446 3.517 ( 7.381 0.000 0.000) 7.381 3.866 ( -6.144 0.000 0.000) 6.144 3.967 ( -3.020 0.000 0.000) 3.020 3.967 ( -2.247 0.000 0.000) 2.247 4.024 ( 2.135 0.000 0.000) 2.135 4.316 ( -1.770 0.000 0.000) 1.770 4.518 ( -1.657 0.000 0.000) 1.657 4.813 ( 9.509 0.000 0.000) 9.509 5.009 ( 15.479 0.000 0.000) 15.479 5.053 ( 1.097 0.000 0.000) 1.097 5.180 ( -0.174 0.000 0.000) 0.174 5.819 ( 1.767 0.000 0.000) 1.767 6.169 ( -1.283 0.000 0.000) 1.283 6.250 ( 0.340 0.000 0.000) 0.340 6.335 ( -2.350 0.000 0.000) 2.350 6.742 ( -3.081 0.000 0.000) 3.081 6.793 ( -3.079 0.000 0.000) 3.079 7.724 ( 2.080 0.000 0.000) 2.080 8.032 ( -0.576 0.000 0.000) 0.576 8.408 ( 3.631 0.000 0.000) 3.631 8.904 ( -0.051 0.000 0.000) 0.051 9.003 ( -1.294 0.000 0.000) 1.294 9.398 ( -5.806 0.000 0.000) 5.806 10.975 ( 2.256 0.000 0.000) 2.256 11.533 ( -2.616 0.000 0.000) 2.616 11.973 ( -0.351 0.000 0.000) 0.351 12.032 ( 0.045 0.000 0.000) 0.045 12.986 ( 3.119 0.000 0.000) 3.119 13.423 ( 1.011 0.000 0.000) 1.011 13.509 ( -2.552 0.000 0.000) 2.552 13.583 ( -0.772 0.000 0.000) 0.772 14.144 ( 4.005 0.000 0.000) 4.005 14.224 ( 0.419 0.000 0.000) 0.419 14.390 ( 1.336 0.000 0.000) 1.336 14.423 ( -1.904 0.000 0.000) 1.904 14.622 ( 1.371 0.000 0.000) 1.371 14.951 ( -2.758 0.000 0.000) 2.758 15.043 ( 0.648 0.000 0.000) 0.648 15.123 ( -0.146 0.000 0.000) 0.146 15.175 ( -0.682 0.000 0.000) 0.682 15.225 ( -3.097 0.000 0.000) 3.097 15.243 ( -2.777 0.000 0.000) 2.777 15.359 ( -1.416 0.000 0.000) 1.416 15.381 ( -0.994 0.000 0.000) 0.994 15.515 ( -5.327 0.000 0.000) 5.327 15.665 ( -0.170 0.000 0.000) 0.170 16.070 ( 4.736 0.000 0.000) 4.736 16.279 ( 3.303 0.000 0.000) 3.303 16.293 ( -8.063 0.000 0.000) 8.063 16.314 ( -1.972 0.000 0.000) 1.972 16.562 ( 3.873 0.000 0.000) 3.873 16.586 ( -2.561 0.000 0.000) 2.561 16.661 ( -0.705 0.000 0.000) 0.705 16.699 ( -1.751 0.000 0.000) 1.751 16.789 ( 1.439 0.000 0.000) 1.439 16.927 ( -3.402 0.000 0.000) 3.402 17.072 ( 1.589 0.000 0.000) 1.589 17.407 ( -4.268 0.000 0.000) 4.268 17.616 ( -4.051 0.000 0.000) 4.051 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 14.894 0.000 0.000) 14.894 0.747 ( 17.578 0.000 0.000) 17.578 0.767 ( 16.600 0.000 0.000) 16.600 1.252 ( 11.644 0.000 0.000) 11.644 1.345 ( -3.024 0.000 0.000) 3.024 1.500 ( -7.754 0.000 0.000) 7.754 1.604 ( 3.061 0.000 0.000) 3.061 1.729 ( 4.256 0.000 0.000) 4.256 1.812 ( -4.045 0.000 0.000) 4.045 1.925 ( -7.322 0.000 0.000) 7.322 1.972 ( 8.476 0.000 0.000) 8.476 2.027 ( -1.402 0.000 0.000) 1.402 2.084 ( 10.207 0.000 0.000) 10.207 2.123 ( -3.480 0.000 0.000) 3.480 2.349 ( 4.015 0.000 0.000) 4.015 2.391 ( -4.390 0.000 0.000) 4.390 2.448 ( -2.000 0.000 0.000) 2.000 2.603 ( 7.378 0.000 0.000) 7.378 2.631 ( -3.885 0.000 0.000) 3.885 2.766 ( 13.236 0.000 0.000) 13.236 2.880 ( 13.471 0.000 0.000) 13.471 3.127 ( -4.038 0.000 0.000) 4.038 3.230 ( -3.195 0.000 0.000) 3.195 3.420 ( -2.534 0.000 0.000) 2.534 3.423 ( -3.457 0.000 0.000) 3.457 3.705 ( 10.107 0.000 0.000) 10.107 3.706 ( -9.627 0.000 0.000) 9.627 3.902 ( -2.897 0.000 0.000) 2.897 3.907 ( -3.220 0.000 0.000) 3.220 4.051 ( 0.172 0.000 0.000) 0.172 4.311 ( 1.251 0.000 0.000) 1.251 4.472 ( -2.724 0.000 0.000) 2.724 5.080 ( 6.524 0.000 0.000) 6.524 5.094 ( 12.328 0.000 0.000) 12.328 5.173 ( -0.538 0.000 0.000) 0.538 5.374 ( 18.619 0.000 0.000) 18.619 5.860 ( 1.780 0.000 0.000) 1.780 6.083 ( -8.132 0.000 0.000) 8.132 6.260 ( 0.652 0.000 0.000) 0.652 6.294 ( -1.074 0.000 0.000) 1.074 6.661 ( -4.381 0.000 0.000) 4.381 6.707 ( -5.053 0.000 0.000) 5.053 7.785 ( 3.751 0.000 0.000) 3.751 8.009 ( -1.882 0.000 0.000) 1.882 8.520 ( 7.286 0.000 0.000) 7.286 8.908 ( 0.579 0.000 0.000) 0.579 8.962 ( -2.863 0.000 0.000) 2.863 9.235 ( -9.663 0.000 0.000) 9.663 11.046 ( 4.725 0.000 0.000) 4.725 11.449 ( -5.573 0.000 0.000) 5.573 11.973 ( 0.478 0.000 0.000) 0.478 12.030 ( -0.325 0.000 0.000) 0.325 13.075 ( 5.409 0.000 0.000) 5.409 13.435 ( -4.575 0.000 0.000) 4.575 13.451 ( 1.682 0.000 0.000) 1.682 13.560 ( -1.432 0.000 0.000) 1.432 14.234 ( 0.526 0.000 0.000) 0.526 14.253 ( 6.277 0.000 0.000) 6.277 14.369 ( -3.195 0.000 0.000) 3.195 14.423 ( 1.619 0.000 0.000) 1.619 14.669 ( 3.218 0.000 0.000) 3.218 14.892 ( -2.565 0.000 0.000) 2.565 15.059 ( 0.878 0.000 0.000) 0.878 15.117 ( -0.553 0.000 0.000) 0.553 15.124 ( -6.030 0.000 0.000) 6.030 15.138 ( -3.077 0.000 0.000) 3.077 15.170 ( -3.695 0.000 0.000) 3.695 15.287 ( -5.993 0.000 0.000) 5.993 15.369 ( -0.094 0.000 0.000) 0.094 15.420 ( -2.778 0.000 0.000) 2.778 15.704 ( 4.026 0.000 0.000) 4.026 16.102 ( -9.439 0.000 0.000) 9.439 16.188 ( 6.343 0.000 0.000) 6.343 16.289 ( 0.037 0.000 0.000) 0.037 16.349 ( 3.051 0.000 0.000) 3.051 16.525 ( -3.348 0.000 0.000) 3.348 16.619 ( 1.058 0.000 0.000) 1.058 16.640 ( -1.296 0.000 0.000) 1.296 16.651 ( -2.710 0.000 0.000) 2.710 16.810 ( -7.602 0.000 0.000) 7.602 16.845 ( 4.599 0.000 0.000) 4.599 17.133 ( 4.365 0.000 0.000) 4.365 17.296 ( -6.389 0.000 0.000) 6.389 17.503 ( -6.665 0.000 0.000) 6.665 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 12.293 0.000 0.000) 12.293 1.049 ( 8.008 0.000 0.000) 8.008 1.093 ( 16.324 0.000 0.000) 16.324 1.230 ( -4.511 0.000 0.000) 4.511 1.337 ( -8.485 0.000 0.000) 8.485 1.410 ( -14.453 0.000 0.000) 14.453 1.498 ( 11.975 0.000 0.000) 11.975 1.726 ( -9.906 0.000 0.000) 9.906 1.856 ( 7.588 0.000 0.000) 7.588 1.913 ( 4.847 0.000 0.000) 4.847 1.988 ( -2.593 0.000 0.000) 2.593 2.015 ( -7.190 0.000 0.000) 7.190 2.168 ( 9.580 0.000 0.000) 9.580 2.263 ( 5.906 0.000 0.000) 5.906 2.306 ( -3.844 0.000 0.000) 3.844 2.368 ( -5.586 0.000 0.000) 5.586 2.444 ( 5.489 0.000 0.000) 5.489 2.548 ( -4.321 0.000 0.000) 4.321 2.773 ( 9.539 0.000 0.000) 9.539 2.982 ( -9.877 0.000 0.000) 9.877 2.992 ( 8.963 0.000 0.000) 8.963 3.141 ( -5.707 0.000 0.000) 5.707 3.185 ( 15.330 0.000 0.000) 15.330 3.375 ( -0.945 0.000 0.000) 0.945 3.379 ( -1.229 0.000 0.000) 1.229 3.476 ( -12.852 0.000 0.000) 12.852 3.857 ( -1.351 0.000 0.000) 1.351 3.858 ( -1.309 0.000 0.000) 1.309 3.897 ( 8.084 0.000 0.000) 8.084 4.018 ( -3.671 0.000 0.000) 3.671 4.354 ( 2.684 0.000 0.000) 2.684 4.413 ( -2.962 0.000 0.000) 2.962 5.124 ( 1.882 0.000 0.000) 1.882 5.156 ( -1.216 0.000 0.000) 1.216 5.471 ( 19.283 0.000 0.000) 19.283 5.706 ( 12.615 0.000 0.000) 12.615 5.836 ( -15.638 0.000 0.000) 15.638 5.861 ( -2.779 0.000 0.000) 2.779 6.275 ( 0.644 0.000 0.000) 0.644 6.284 ( -0.290 0.000 0.000) 0.290 6.590 ( -1.799 0.000 0.000) 1.799 6.610 ( -3.649 0.000 0.000) 3.649 7.870 ( 4.385 0.000 0.000) 4.385 7.953 ( -3.527 0.000 0.000) 3.527 8.698 ( 9.688 0.000 0.000) 9.688 8.875 ( -6.379 0.000 0.000) 6.379 8.937 ( 2.578 0.000 0.000) 2.578 9.039 ( -8.086 0.000 0.000) 8.086 11.165 ( 6.841 0.000 0.000) 6.841 11.314 ( -7.356 0.000 0.000) 7.356 11.992 ( 1.253 0.000 0.000) 1.253 12.016 ( -0.998 0.000 0.000) 0.998 13.198 ( 6.372 0.000 0.000) 6.372 13.326 ( -5.981 0.000 0.000) 5.981 13.489 ( 1.908 0.000 0.000) 1.908 13.527 ( -1.795 0.000 0.000) 1.795 14.253 ( 1.587 0.000 0.000) 1.587 14.302 ( -3.101 0.000 0.000) 3.101 14.376 ( 5.094 0.000 0.000) 5.094 14.437 ( -0.781 0.000 0.000) 0.781 14.750 ( 4.576 0.000 0.000) 4.576 14.838 ( -3.433 0.000 0.000) 3.433 15.032 ( -1.596 0.000 0.000) 1.596 15.063 ( -3.586 0.000 0.000) 3.586 15.071 ( 0.411 0.000 0.000) 0.411 15.096 ( -1.572 0.000 0.000) 1.572 15.126 ( -0.028 0.000 0.000) 0.028 15.167 ( -4.263 0.000 0.000) 4.263 15.374 ( 0.475 0.000 0.000) 0.475 15.388 ( -0.951 0.000 0.000) 0.951 15.808 ( 5.706 0.000 0.000) 5.706 15.934 ( -6.929 0.000 0.000) 6.929 16.311 ( 5.209 0.000 0.000) 5.209 16.332 ( 4.245 0.000 0.000) 4.245 16.378 ( -0.852 0.000 0.000) 0.852 16.440 ( -5.283 0.000 0.000) 5.283 16.606 ( -1.081 0.000 0.000) 1.081 16.612 ( -1.217 0.000 0.000) 1.217 16.621 ( 0.196 0.000 0.000) 0.196 16.667 ( -5.006 0.000 0.000) 5.006 16.978 ( 7.963 0.000 0.000) 7.963 17.147 ( -8.112 0.000 0.000) 8.112 17.238 ( 5.711 0.000 0.000) 5.711 17.364 ( -6.590 0.000 0.000) 6.590 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 0.000 14.911 0.000) 14.911 0.432 ( 0.000 19.718 0.000) 19.718 0.586 ( 0.000 25.499 0.000) 25.499 0.902 ( 0.000 -3.422 0.000) 3.422 1.189 ( 0.000 8.899 0.000) 8.899 1.304 ( 0.000 4.478 0.000) 4.478 1.736 ( 0.000 2.592 0.000) 2.592 1.741 ( 0.000 -2.254 0.000) 2.254 1.819 ( 0.000 -1.843 0.000) 1.843 1.857 ( 0.000 0.812 0.000) 0.812 1.960 ( 0.000 -8.201 0.000) 8.201 2.106 ( 0.000 -5.337 0.000) 5.337 2.108 ( 0.000 -1.512 0.000) 1.512 2.148 ( 0.000 -3.345 0.000) 3.345 2.251 ( 0.000 0.461 0.000) 0.461 2.306 ( 0.000 -5.681 0.000) 5.681 2.343 ( 0.000 1.382 0.000) 1.382 2.397 ( 0.000 -3.372 0.000) 3.372 2.517 ( 0.000 -2.669 0.000) 2.669 2.520 ( 0.000 0.040 0.000) 0.040 2.619 ( 0.000 4.443 0.000) 4.443 2.729 ( 0.000 0.766 0.000) 0.766 3.146 ( 0.000 -5.479 0.000) 5.479 3.311 ( 0.000 -10.775 0.000) 10.775 3.340 ( 0.000 4.406 0.000) 4.406 3.456 ( 0.000 1.800 0.000) 1.800 3.657 ( 0.000 3.109 0.000) 3.109 3.803 ( 0.000 -9.541 0.000) 9.541 3.856 ( 0.000 -7.543 0.000) 7.543 3.871 ( 0.000 -8.149 0.000) 8.149 4.572 ( 0.000 15.520 0.000) 15.520 4.876 ( 0.000 12.981 0.000) 12.981 4.921 ( 0.000 8.629 0.000) 8.629 5.105 ( 0.000 4.778 0.000) 4.778 5.124 ( 0.000 -1.619 0.000) 1.619 5.230 ( 0.000 4.156 0.000) 4.156 5.710 ( 0.000 -8.200 0.000) 8.200 6.052 ( 0.000 -13.917 0.000) 13.917 6.216 ( 0.000 3.531 0.000) 3.531 6.420 ( 0.000 1.488 0.000) 1.488 6.688 ( 0.000 -0.026 0.000) 0.026 6.795 ( 0.000 -2.688 0.000) 2.688 7.724 ( 0.000 1.891 0.000) 1.891 7.969 ( 0.000 -5.095 0.000) 5.095 8.487 ( 0.000 10.427 0.000) 10.427 8.534 ( 0.000 7.621 0.000) 7.621 8.989 ( 0.000 -4.189 0.000) 4.189 9.362 ( 0.000 -8.843 0.000) 8.843 11.061 ( 0.000 9.782 0.000) 9.782 11.785 ( 0.000 2.144 0.000) 2.144 11.874 ( 0.000 -8.662 0.000) 8.662 12.011 ( 0.000 -2.257 0.000) 2.257 12.994 ( 0.000 3.693 0.000) 3.693 13.351 ( 0.000 -4.854 0.000) 4.854 13.562 ( 0.000 1.671 0.000) 1.671 13.593 ( 0.000 0.199 0.000) 0.199 14.158 ( 0.000 5.115 0.000) 5.115 14.240 ( 0.000 1.868 0.000) 1.868 14.391 ( 0.000 1.125 0.000) 1.125 14.419 ( 0.000 -1.451 0.000) 1.451 14.479 ( 0.000 5.442 0.000) 5.442 14.921 ( 0.000 -4.847 0.000) 4.847 15.042 ( 0.000 0.606 0.000) 0.606 15.109 ( 0.000 -1.356 0.000) 1.356 15.242 ( 0.000 4.692 0.000) 4.692 15.244 ( 0.000 -2.894 0.000) 2.894 15.335 ( 0.000 -5.075 0.000) 5.075 15.377 ( 0.000 -0.858 0.000) 0.858 15.452 ( 0.000 -6.424 0.000) 6.424 15.513 ( 0.000 -5.143 0.000) 5.143 15.772 ( 0.000 4.656 0.000) 4.656 16.118 ( 0.000 -8.926 0.000) 8.926 16.145 ( 0.000 8.590 0.000) 8.590 16.276 ( 0.000 2.875 0.000) 2.875 16.380 ( 0.000 3.290 0.000) 3.290 16.475 ( 0.000 4.311 0.000) 4.311 16.659 ( 0.000 -0.776 0.000) 0.776 16.702 ( 0.000 -1.402 0.000) 1.402 16.768 ( 0.000 -0.567 0.000) 0.567 16.891 ( 0.000 -4.667 0.000) 4.667 17.042 ( 0.000 -0.554 0.000) 0.554 17.090 ( 0.000 1.425 0.000) 1.425 17.403 ( 0.000 4.101 0.000) 4.101 17.633 ( 0.000 -2.233 0.000) 2.233 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 13.015 9.030 0.000) 15.840 0.565 ( 9.886 14.241 0.000) 17.336 0.675 ( 8.981 20.886 0.000) 22.735 0.997 ( 7.950 -4.038 0.000) 8.917 1.337 ( 2.645 1.890 0.000) 3.251 1.378 ( 15.265 5.722 0.000) 16.303 1.576 ( -9.544 -4.615 0.000) 10.601 1.761 ( 1.855 0.800 0.000) 2.021 1.847 ( 2.670 2.028 0.000) 3.353 1.919 ( 5.226 -0.221 0.000) 5.231 1.952 ( -1.458 -6.505 0.000) 6.666 2.017 ( -9.212 -0.852 0.000) 9.251 2.060 ( -3.693 -1.210 0.000) 3.886 2.125 ( 0.382 -4.200 0.000) 4.218 2.252 ( -0.361 -0.726 0.000) 0.811 2.342 ( 2.345 -6.300 0.000) 6.722 2.477 ( 10.255 -1.342 0.000) 10.343 2.480 ( -0.274 -2.429 0.000) 2.444 2.500 ( 1.908 0.551 0.000) 1.985 2.609 ( 8.088 -3.491 0.000) 8.809 2.698 ( -1.182 -0.133 0.000) 1.189 2.947 ( 12.654 -16.548 0.000) 20.832 3.159 ( 0.571 -5.783 0.000) 5.811 3.331 ( -0.854 4.657 0.000) 4.735 3.457 ( 9.925 -16.718 0.000) 19.442 3.529 ( 6.470 0.958 0.000) 6.541 3.650 ( 1.134 2.890 0.000) 3.105 3.781 ( -1.679 -9.252 0.000) 9.403 3.793 ( -4.312 -5.674 0.000) 7.127 3.926 ( 3.334 -7.655 0.000) 8.349 4.536 ( -2.351 14.712 0.000) 14.899 4.901 ( -12.340 10.447 0.000) 16.168 4.953 ( 7.518 11.416 0.000) 13.669 5.092 ( 12.116 6.276 0.000) 13.645 5.114 ( 0.848 4.622 0.000) 4.699 5.229 ( -0.099 4.278 0.000) 4.279 5.746 ( 2.729 -7.092 0.000) 7.599 6.039 ( -1.442 -12.669 0.000) 12.750 6.229 ( 1.055 2.677 0.000) 2.878 6.397 ( -2.233 1.709 0.000) 2.812 6.699 ( -0.816 -1.968 0.000) 2.130 6.765 ( -2.730 -2.340 0.000) 3.596 7.742 ( 1.872 1.746 0.000) 2.560 7.981 ( 0.343 -4.552 0.000) 4.565 8.496 ( 2.559 7.983 0.000) 8.383 8.708 ( 9.296 -2.381 0.000) 9.596 8.975 ( -1.314 -3.611 0.000) 3.843 9.315 ( -4.687 -8.049 0.000) 9.314 11.080 ( 1.868 9.425 0.000) 9.609 11.669 ( -7.489 5.740 0.000) 9.436 11.884 ( 0.513 -7.025 0.000) 7.044 12.011 ( -0.215 -2.613 0.000) 2.622 13.023 ( 2.792 3.390 0.000) 4.392 13.358 ( 0.589 -4.810 0.000) 4.846 13.542 ( -1.784 1.958 0.000) 2.649 13.586 ( -0.792 0.178 0.000) 0.811 14.188 ( 2.807 4.017 0.000) 4.900 14.233 ( -0.363 1.027 0.000) 1.090 14.399 ( -2.213 -2.110 0.000) 3.058 14.404 ( 1.145 0.880 0.000) 1.445 14.550 ( 5.008 1.049 0.000) 5.116 14.880 ( -3.257 -5.144 0.000) 6.088 15.049 ( 0.580 0.539 0.000) 0.792 15.106 ( -0.313 -1.470 0.000) 1.503 15.185 ( -4.466 5.508 0.000) 7.091 15.199 ( -3.256 -3.448 0.000) 4.743 15.333 ( -0.287 -1.756 0.000) 1.779 15.381 ( 0.073 -0.260 0.000) 0.270 15.404 ( -6.460 1.943 0.000) 6.746 15.463 ( 0.244 -4.631 0.000) 4.638 15.737 ( -1.960 4.233 0.000) 4.665 16.095 ( -2.533 3.363 0.000) 4.210 16.096 ( -3.266 -9.186 0.000) 9.749 16.332 ( 3.137 2.570 0.000) 4.055 16.357 ( -1.493 1.856 0.000) 2.381 16.538 ( 3.236 0.225 0.000) 3.244 16.631 ( -1.602 -0.926 0.000) 1.850 16.719 ( 0.864 0.594 0.000) 1.048 16.738 ( -6.856 2.401 0.000) 7.264 16.797 ( -1.313 -0.070 0.000) 1.315 17.015 ( -2.574 4.990 0.000) 5.615 17.079 ( 1.284 1.448 0.000) 1.935 17.407 ( -2.057 1.021 0.000) 2.296 17.589 ( -4.076 -2.230 0.000) 4.646 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 9.798 7.749 0.000) 12.492 0.786 ( 15.152 3.705 0.000) 15.598 0.921 ( 13.353 13.481 0.000) 18.975 1.188 ( 9.926 -5.445 0.000) 11.321 1.361 ( -3.970 1.468 0.000) 4.233 1.397 ( -5.008 -6.991 0.000) 8.600 1.622 ( 2.950 1.597 0.000) 3.355 1.831 ( 3.506 5.898 0.000) 6.861 1.839 ( -3.343 2.274 0.000) 4.043 1.885 ( -6.012 -3.703 0.000) 7.061 1.910 ( 5.756 -5.272 0.000) 7.806 2.008 ( -1.232 -1.746 0.000) 2.137 2.080 ( 4.825 -0.968 0.000) 4.921 2.107 ( 2.171 -1.466 0.000) 2.620 2.257 ( 0.344 -4.685 0.000) 4.697 2.351 ( -0.811 -4.987 0.000) 5.053 2.479 ( -1.715 -4.098 0.000) 4.442 2.516 ( 0.229 1.779 0.000) 1.793 2.675 ( 0.602 0.077 0.000) 0.607 2.717 ( 12.271 -3.822 0.000) 12.852 2.804 ( 10.110 -5.454 0.000) 11.487 3.065 ( -1.344 -6.457 0.000) 6.596 3.177 ( 3.559 -7.157 0.000) 7.993 3.309 ( -1.021 5.747 0.000) 5.837 3.479 ( -3.820 -4.566 0.000) 5.953 3.625 ( -3.400 -4.573 0.000) 5.699 3.743 ( 2.044 -8.874 0.000) 9.106 3.744 ( 5.138 1.532 0.000) 5.362 3.764 ( 1.772 -7.196 0.000) 7.411 3.987 ( 2.083 -5.209 0.000) 5.610 4.501 ( -0.954 12.872 0.000) 12.908 4.678 ( -8.580 11.597 0.000) 14.426 5.138 ( 1.835 4.391 0.000) 4.759 5.170 ( 11.141 5.402 0.000) 12.382 5.232 ( 2.297 6.343 0.000) 6.746 5.405 ( 16.331 2.822 0.000) 16.573 5.805 ( 2.662 -5.105 0.000) 5.757 5.980 ( -5.034 -9.075 0.000) 10.378 6.251 ( 0.915 1.139 0.000) 1.461 6.339 ( -3.026 1.564 0.000) 3.407 6.646 ( -3.595 -0.948 0.000) 3.718 6.692 ( -4.285 -1.406 0.000) 4.509 7.797 ( 3.360 1.215 0.000) 3.573 7.974 ( -1.035 -2.972 0.000) 3.147 8.583 ( 5.779 5.526 0.000) 7.995 8.836 ( 3.966 -3.043 0.000) 4.999 8.937 ( -2.483 -2.563 0.000) 3.568 9.178 ( -8.337 -5.593 0.000) 10.039 11.140 ( 4.011 8.371 0.000) 9.282 11.525 ( -6.950 5.375 0.000) 8.786 11.901 ( 1.304 -5.798 0.000) 5.942 12.000 ( -0.903 -3.193 0.000) 3.318 13.103 ( 4.803 2.523 0.000) 5.426 13.363 ( -0.618 -4.151 0.000) 4.196 13.502 ( -1.624 2.250 0.000) 2.775 13.562 ( -1.516 0.061 0.000) 1.517 14.227 ( -0.243 -0.367 0.000) 0.440 14.264 ( 4.373 1.272 0.000) 4.555 14.340 ( -3.381 -2.479 0.000) 4.193 14.427 ( 0.735 -0.282 0.000) 0.787 14.636 ( 3.459 -1.087 0.000) 3.626 14.815 ( -2.825 -5.840 0.000) 6.488 15.063 ( 0.786 0.390 0.000) 0.878 15.095 ( -0.488 -0.986 0.000) 1.100 15.107 ( -2.589 5.405 0.000) 5.993 15.150 ( -1.099 -0.357 0.000) 1.155 15.279 ( -6.137 4.113 0.000) 7.387 15.315 ( -1.926 0.996 0.000) 2.168 15.379 ( -0.203 0.403 0.000) 0.451 15.436 ( -2.632 0.640 0.000) 2.709 15.726 ( 1.066 0.633 0.000) 1.240 15.989 ( -6.396 -6.952 0.000) 9.447 16.090 ( 2.284 -4.780 0.000) 5.298 16.328 ( -0.992 1.205 0.000) 1.561 16.351 ( -1.638 -3.734 0.000) 4.078 16.515 ( -6.220 -3.565 0.000) 7.169 16.623 ( 1.144 2.975 0.000) 3.187 16.640 ( 0.487 6.039 0.000) 6.059 16.725 ( -0.317 2.859 0.000) 2.877 16.846 ( 4.583 -0.073 0.000) 4.583 16.932 ( -5.616 7.565 0.000) 9.421 17.129 ( 3.143 -0.201 0.000) 3.149 17.323 ( -5.340 2.100 0.000) 5.739 17.480 ( -6.176 -1.973 0.000) 6.483 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 10.196 2.126 0.000) 10.415 1.089 ( 14.125 -0.010 0.000) 14.125 1.139 ( 0.716 6.558 0.000) 6.597 1.219 ( 0.085 -0.477 0.000) 0.484 1.310 ( -3.401 -6.146 0.000) 7.024 1.339 ( -4.557 1.884 0.000) 4.931 1.557 ( 1.565 2.629 0.000) 3.060 1.708 ( -9.108 -1.866 0.000) 9.297 1.896 ( 4.075 2.040 0.000) 4.557 1.919 ( 4.405 0.665 0.000) 4.455 1.981 ( -1.866 -0.565 0.000) 1.950 2.001 ( -5.342 -2.353 0.000) 5.838 2.089 ( 9.251 -6.882 0.000) 11.530 2.224 ( -1.742 -3.423 0.000) 3.840 2.259 ( 2.644 -3.043 0.000) 4.031 2.334 ( -3.822 -3.739 0.000) 5.347 2.434 ( 2.804 -0.672 0.000) 2.884 2.507 ( -2.087 -1.171 0.000) 2.392 2.754 ( 6.946 -1.960 0.000) 7.217 2.923 ( 6.970 -5.740 0.000) 9.029 2.933 ( -9.334 -4.218 0.000) 10.242 2.968 ( 3.690 -8.602 0.000) 9.360 3.289 ( 5.882 -2.452 0.000) 6.372 3.325 ( 4.028 6.103 0.000) 7.312 3.394 ( -4.425 -0.731 0.000) 4.485 3.473 ( -8.842 -0.142 0.000) 8.843 3.758 ( 1.138 -7.142 0.000) 7.232 3.784 ( -0.827 -6.110 0.000) 6.165 3.896 ( 6.834 -0.029 0.000) 6.834 3.990 ( -2.157 -2.371 0.000) 3.206 4.501 ( 1.014 10.569 0.000) 10.617 4.550 ( -4.110 9.914 0.000) 10.733 5.174 ( 1.675 4.003 0.000) 4.339 5.202 ( -1.005 3.649 0.000) 3.784 5.506 ( 16.249 3.186 0.000) 16.558 5.696 ( 10.979 -0.725 0.000) 11.003 5.806 ( -12.159 -2.847 0.000) 12.488 5.825 ( -1.793 -3.198 0.000) 3.666 6.267 ( 0.874 -0.167 0.000) 0.890 6.291 ( -1.590 0.182 0.000) 1.600 6.586 ( -1.445 -0.182 0.000) 1.456 6.607 ( -3.293 -0.321 0.000) 3.309 7.871 ( 3.672 0.178 0.000) 3.677 7.937 ( -2.588 -1.356 0.000) 2.921 8.725 ( 7.765 2.384 0.000) 8.122 8.865 ( -5.028 -0.892 0.000) 5.107 8.903 ( 3.312 -2.240 0.000) 3.998 9.006 ( -7.385 -2.970 0.000) 7.960 11.243 ( 6.073 6.876 0.000) 9.174 11.380 ( -7.112 5.569 0.000) 9.033 11.936 ( 1.945 -4.852 0.000) 5.228 11.974 ( -1.640 -4.005 0.000) 4.328 13.210 ( 5.462 1.125 0.000) 5.576 13.313 ( -4.207 -1.164 0.000) 4.365 13.496 ( 0.980 0.670 0.000) 1.187 13.527 ( -1.758 -0.008 0.000) 1.758 14.231 ( 0.969 -1.666 0.000) 1.928 14.272 ( -2.926 -2.476 0.000) 3.833 14.354 ( 4.108 -1.427 0.000) 4.349 14.418 ( -1.873 -1.940 0.000) 2.697 14.702 ( 3.103 -2.738 0.000) 4.138 14.762 ( -2.694 -4.843 0.000) 5.542 15.082 ( 1.029 0.700 0.000) 1.244 15.092 ( 1.303 5.679 0.000) 5.827 15.094 ( -0.039 0.236 0.000) 0.239 15.157 ( 2.180 3.314 0.000) 3.966 15.160 ( -5.059 5.103 0.000) 7.186 15.239 ( -4.973 5.074 0.000) 7.104 15.378 ( 0.278 0.408 0.000) 0.494 15.393 ( -1.246 0.612 0.000) 1.388 15.774 ( 3.488 -3.205 0.000) 4.737 15.865 ( -5.383 -5.221 0.000) 7.499 16.172 ( 5.107 -8.936 0.000) 10.293 16.278 ( -4.899 -8.457 0.000) 9.773 16.330 ( 1.419 -0.203 0.000) 1.433 16.393 ( -4.798 -2.389 0.000) 5.360 16.664 ( 2.338 5.201 0.000) 5.703 16.688 ( 3.822 6.502 0.000) 7.542 16.706 ( -1.571 4.583 0.000) 4.845 16.795 ( -6.439 7.630 0.000) 9.984 16.979 ( 7.531 0.099 0.000) 7.532 17.130 ( -5.686 -1.402 0.000) 5.856 17.266 ( 2.450 2.078 0.000) 3.212 17.358 ( -5.515 -0.582 0.000) 5.546 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.000 11.606 0.000) 11.606 0.807 ( 0.000 -6.432 0.000) 6.432 0.807 ( 0.000 14.661 0.000) 14.661 0.953 ( 0.000 4.783 0.000) 4.783 1.428 ( 0.000 13.485 0.000) 13.485 1.458 ( 0.000 11.290 0.000) 11.290 1.704 ( 0.000 -8.879 0.000) 8.879 1.725 ( 0.000 -13.499 0.000) 13.499 1.731 ( 0.000 2.200 0.000) 2.200 1.773 ( 0.000 -0.507 0.000) 0.507 1.876 ( 0.000 1.766 0.000) 1.766 1.980 ( 0.000 -6.863 0.000) 6.863 2.073 ( 0.000 -1.063 0.000) 1.063 2.083 ( 0.000 -2.132 0.000) 2.132 2.225 ( 0.000 -1.538 0.000) 1.538 2.234 ( 0.000 -1.794 0.000) 1.794 2.385 ( 0.000 2.569 0.000) 2.569 2.386 ( 0.000 3.250 0.000) 3.250 2.449 ( 0.000 -3.386 0.000) 3.386 2.476 ( 0.000 -3.835 0.000) 3.835 2.705 ( 0.000 3.043 0.000) 3.043 2.738 ( 0.000 -0.303 0.000) 0.303 3.028 ( 0.000 -2.676 0.000) 2.676 3.096 ( 0.000 -8.251 0.000) 8.251 3.451 ( 0.000 5.349 0.000) 5.349 3.501 ( 0.000 1.487 0.000) 1.487 3.686 ( 0.000 0.226 0.000) 0.226 3.696 ( 0.000 -1.576 0.000) 1.576 3.700 ( 0.000 -5.394 0.000) 5.394 3.712 ( 0.000 -5.727 0.000) 5.727 4.865 ( 0.000 11.516 0.000) 11.516 5.049 ( 0.000 -5.901 0.000) 5.901 5.141 ( 0.000 8.168 0.000) 8.168 5.170 ( 0.000 14.036 0.000) 14.036 5.188 ( 0.000 1.939 0.000) 1.939 5.377 ( 0.000 11.872 0.000) 11.872 5.472 ( 0.000 -13.579 0.000) 13.579 5.713 ( 0.000 -17.379 0.000) 17.379 6.311 ( 0.000 4.914 0.000) 4.914 6.401 ( 0.000 -3.041 0.000) 3.041 6.696 ( 0.000 1.026 0.000) 1.026 6.735 ( 0.000 -2.580 0.000) 2.580 7.779 ( 0.000 3.288 0.000) 3.288 7.862 ( 0.000 -4.592 0.000) 4.592 8.708 ( 0.000 8.289 0.000) 8.289 8.774 ( 0.000 15.635 0.000) 15.635 8.870 ( 0.000 -6.818 0.000) 6.818 9.105 ( 0.000 -14.727 0.000) 14.727 11.329 ( 0.000 14.492 0.000) 14.492 11.634 ( 0.000 -13.555 0.000) 13.555 11.850 ( 0.000 3.827 0.000) 3.827 11.938 ( 0.000 -4.201 0.000) 4.201 13.099 ( 0.000 5.908 0.000) 5.908 13.231 ( 0.000 -6.231 0.000) 6.231 13.589 ( 0.000 0.773 0.000) 0.773 13.596 ( 0.000 -0.014 0.000) 0.014 14.293 ( 0.000 6.678 0.000) 6.678 14.295 ( 0.000 3.159 0.000) 3.159 14.365 ( 0.000 -3.209 0.000) 3.209 14.392 ( 0.000 -1.974 0.000) 1.974 14.633 ( 0.000 8.142 0.000) 8.142 14.796 ( 0.000 -6.911 0.000) 6.911 15.058 ( 0.000 0.724 0.000) 0.724 15.076 ( 0.000 -1.370 0.000) 1.370 15.170 ( 0.000 -2.755 0.000) 2.755 15.185 ( 0.000 -5.186 0.000) 5.186 15.342 ( 0.000 4.351 0.000) 4.351 15.377 ( 0.000 0.587 0.000) 0.587 15.394 ( 0.000 -1.078 0.000) 1.078 15.423 ( 0.000 -3.606 0.000) 3.606 15.852 ( 0.000 3.392 0.000) 3.392 15.949 ( 0.000 -6.376 0.000) 6.376 16.295 ( 0.000 4.701 0.000) 4.701 16.329 ( 0.000 1.240 0.000) 1.240 16.464 ( 0.000 4.020 0.000) 4.020 16.518 ( 0.000 -0.431 0.000) 0.431 16.645 ( 0.000 -0.100 0.000) 0.100 16.665 ( 0.000 -1.759 0.000) 1.759 16.760 ( 0.000 0.307 0.000) 0.307 16.798 ( 0.000 -3.430 0.000) 3.430 17.058 ( 0.000 1.814 0.000) 1.814 17.094 ( 0.000 -1.065 0.000) 1.065 17.493 ( 0.000 4.081 0.000) 4.081 17.572 ( 0.000 -3.399 0.000) 3.399 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 7.775 9.897 0.000) 12.586 0.871 ( 4.864 13.024 0.000) 13.903 0.883 ( 6.741 -6.998 0.000) 9.717 1.004 ( 4.693 4.792 0.000) 6.708 1.397 ( -3.954 4.943 0.000) 6.330 1.499 ( -10.111 -2.890 0.000) 10.516 1.543 ( 9.216 9.757 0.000) 13.422 1.756 ( 0.612 1.980 0.000) 2.072 1.767 ( 3.094 -10.502 0.000) 10.948 1.868 ( 6.925 -4.747 0.000) 8.396 1.913 ( 1.502 2.021 0.000) 2.518 2.004 ( 0.392 -6.600 0.000) 6.611 2.005 ( -6.330 -0.008 0.000) 6.330 2.024 ( -4.159 -1.687 0.000) 4.488 2.256 ( 0.861 0.375 0.000) 0.939 2.263 ( 0.851 -0.265 0.000) 0.892 2.405 ( 2.203 -0.899 0.000) 2.380 2.456 ( 0.378 -3.585 0.000) 3.604 2.471 ( 7.608 1.168 0.000) 7.697 2.526 ( 6.967 -3.745 0.000) 7.909 2.746 ( 1.134 4.412 0.000) 4.555 2.823 ( 7.162 -2.099 0.000) 7.464 3.055 ( 2.496 -1.717 0.000) 3.029 3.162 ( 6.328 -10.939 0.000) 12.638 3.445 ( -0.609 5.559 0.000) 5.592 3.535 ( 2.018 -1.741 0.000) 2.665 3.668 ( -1.513 -0.286 0.000) 1.540 3.678 ( -1.270 -1.401 0.000) 1.891 3.700 ( 1.455 -1.116 0.000) 1.834 3.767 ( 4.494 -6.309 0.000) 7.746 4.817 ( -3.629 10.952 0.000) 11.537 4.971 ( -6.642 -2.928 0.000) 7.258 5.173 ( 2.941 5.787 0.000) 6.492 5.196 ( 0.883 2.219 0.000) 2.388 5.277 ( 9.310 11.467 0.000) 14.770 5.390 ( 1.510 12.856 0.000) 12.944 5.536 ( 5.358 -11.981 0.000) 13.124 5.722 ( 0.796 -16.442 0.000) 16.461 6.309 ( -0.271 4.259 0.000) 4.267 6.386 ( -1.499 -2.498 0.000) 2.913 6.683 ( -1.413 0.439 0.000) 1.480 6.713 ( -2.066 -2.206 0.000) 3.022 7.795 ( 1.557 3.219 0.000) 3.575 7.878 ( 1.264 -4.576 0.000) 4.748 8.704 ( 0.231 9.578 0.000) 9.580 8.811 ( 2.620 10.437 0.000) 10.761 8.867 ( -0.291 -6.354 0.000) 6.360 9.082 ( -2.278 -13.162 0.000) 13.357 11.337 ( 0.807 13.820 0.000) 13.844 11.619 ( -1.544 -11.460 0.000) 11.564 11.828 ( -1.564 3.842 0.000) 4.148 11.928 ( -0.956 -4.806 0.000) 4.900 13.120 ( 1.992 5.467 0.000) 5.819 13.243 ( 1.109 -5.864 0.000) 5.968 13.574 ( -1.332 1.023 0.000) 1.680 13.587 ( -0.967 -0.192 0.000) 0.986 14.274 ( -1.744 2.741 0.000) 3.249 14.297 ( 0.466 5.710 0.000) 5.729 14.340 ( -2.304 -3.250 0.000) 3.984 14.394 ( 0.038 -2.587 0.000) 2.587 14.642 ( 0.585 6.011 0.000) 6.039 14.768 ( -2.515 -5.577 0.000) 6.118 15.063 ( 0.488 0.797 0.000) 0.934 15.080 ( 0.384 -0.683 0.000) 0.783 15.156 ( 0.320 0.580 0.000) 0.662 15.242 ( 3.508 -6.327 0.000) 7.235 15.305 ( -3.173 5.053 0.000) 5.967 15.379 ( 0.196 0.342 0.000) 0.394 15.385 ( -3.076 -2.511 0.000) 3.971 15.395 ( 0.156 -1.332 0.000) 1.341 15.808 ( -3.590 3.501 0.000) 5.015 15.919 ( -2.930 -7.154 0.000) 7.730 16.203 ( -6.253 6.036 0.000) 8.691 16.317 ( -3.138 -3.883 0.000) 4.992 16.429 ( -2.774 4.324 0.000) 5.137 16.511 ( -1.628 -2.902 0.000) 3.327 16.656 ( 1.967 2.719 0.000) 3.356 16.708 ( 2.647 -1.691 0.000) 3.141 16.761 ( -0.793 0.814 0.000) 1.137 16.781 ( 0.411 -1.047 0.000) 1.125 17.075 ( 1.040 2.035 0.000) 2.285 17.105 ( 0.569 -0.285 0.000) 0.636 17.458 ( -3.281 3.321 0.000) 4.668 17.530 ( -3.938 -3.248 0.000) 5.105 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 10.830 6.612 0.000) 12.688 0.948 ( 2.729 9.443 0.000) 9.829 1.049 ( 8.776 -7.236 0.000) 11.374 1.124 ( 4.622 -3.218 0.000) 5.632 1.307 ( -2.796 5.586 0.000) 6.246 1.412 ( 0.837 0.268 0.000) 0.879 1.675 ( 0.168 3.713 0.000) 3.716 1.779 ( -3.812 -5.626 0.000) 6.796 1.800 ( 2.516 0.034 0.000) 2.516 1.898 ( -1.123 2.986 0.000) 3.190 1.931 ( 1.746 3.352 0.000) 3.780 1.951 ( -2.475 -9.901 0.000) 10.206 1.959 ( -0.729 -2.717 0.000) 2.813 2.037 ( 5.769 -6.681 0.000) 8.827 2.243 ( -0.025 2.727 0.000) 2.728 2.274 ( 0.121 -0.970 0.000) 0.977 2.435 ( 0.952 1.150 0.000) 1.493 2.501 ( 1.612 -3.160 0.000) 3.547 2.658 ( 9.601 -0.815 0.000) 9.636 2.695 ( 8.499 -4.081 0.000) 9.428 2.733 ( -1.444 6.299 0.000) 6.463 2.904 ( -1.016 -8.628 0.000) 8.688 3.153 ( 7.409 3.643 0.000) 8.256 3.301 ( 5.760 -9.476 0.000) 11.089 3.429 ( -0.827 5.207 0.000) 5.272 3.529 ( -2.432 -4.470 0.000) 5.088 3.637 ( -1.150 -1.198 0.000) 1.661 3.663 ( -0.237 -3.007 0.000) 3.016 3.787 ( 6.244 2.820 0.000) 6.852 3.871 ( 4.883 -5.083 0.000) 7.048 4.742 ( -3.419 8.617 0.000) 9.271 4.825 ( -6.878 1.481 0.000) 7.035 5.222 ( 1.577 2.772 0.000) 3.189 5.239 ( 2.730 1.242 0.000) 2.999 5.455 ( 5.364 13.080 0.000) 14.137 5.499 ( 11.304 6.258 0.000) 12.921 5.658 ( 5.941 -8.083 0.000) 10.032 5.739 ( 0.502 -13.015 0.000) 13.025 6.296 ( -1.089 2.577 0.000) 2.798 6.340 ( -2.793 -1.283 0.000) 3.073 6.637 ( -2.896 0.258 0.000) 2.907 6.657 ( -3.178 -1.542 0.000) 3.532 7.837 ( 2.305 2.508 0.000) 3.407 7.901 ( 0.798 -3.489 0.000) 3.579 8.728 ( 2.150 7.331 0.000) 7.640 8.856 ( 1.370 4.033 0.000) 4.259 8.858 ( -0.489 -3.980 0.000) 4.010 9.016 ( -4.056 -8.843 0.000) 9.729 11.364 ( 1.944 11.765 0.000) 11.924 11.569 ( -3.299 -4.692 0.000) 5.735 11.809 ( -0.032 0.570 0.000) 0.571 11.901 ( -1.652 -5.633 0.000) 5.870 13.175 ( 3.240 4.141 0.000) 5.257 13.270 ( 1.283 -4.597 0.000) 4.772 13.540 ( -1.832 1.327 0.000) 2.262 13.559 ( -1.695 -0.451 0.000) 1.754 14.234 ( -1.986 1.303 0.000) 2.376 14.280 ( -3.317 -2.800 0.000) 4.341 14.313 ( 1.054 3.292 0.000) 3.457 14.389 ( -0.626 -3.257 0.000) 3.317 14.652 ( 0.541 2.208 0.000) 2.273 14.715 ( -2.098 -3.685 0.000) 4.241 15.077 ( 0.775 0.760 0.000) 1.085 15.090 ( 0.516 -0.304 0.000) 0.599 15.190 ( 2.968 4.795 0.000) 5.640 15.240 ( -2.756 5.624 0.000) 6.263 15.300 ( 1.760 -3.322 0.000) 3.760 15.311 ( -4.018 -0.898 0.000) 4.117 15.383 ( 0.192 0.260 0.000) 0.323 15.407 ( 0.959 -2.379 0.000) 2.565 15.738 ( -2.682 1.994 0.000) 3.342 15.838 ( -4.542 -6.900 0.000) 8.261 16.081 ( -4.943 4.033 0.000) 6.380 16.216 ( -6.008 -7.509 0.000) 9.616 16.370 ( -2.594 3.034 0.000) 3.992 16.441 ( -4.545 -3.414 0.000) 5.685 16.709 ( 2.714 3.641 0.000) 4.541 16.753 ( 1.599 -0.380 0.000) 1.643 16.761 ( 1.638 4.541 0.000) 4.827 16.828 ( 3.598 -1.877 0.000) 4.058 17.061 ( -2.688 4.346 0.000) 5.110 17.118 ( 0.477 -1.270 0.000) 1.357 17.372 ( -4.624 2.493 0.000) 5.254 17.428 ( -5.339 -2.724 0.000) 5.994 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 3.896 2.647 0.000) 4.710 1.099 ( -4.226 -5.133 0.000) 6.649 1.112 ( 9.066 2.436 0.000) 9.388 1.191 ( 2.958 -4.858 0.000) 5.688 1.374 ( 5.347 8.862 0.000) 10.350 1.431 ( -0.211 4.408 0.000) 4.413 1.596 ( -3.052 1.693 0.000) 3.490 1.649 ( -6.716 -3.193 0.000) 7.436 1.822 ( 0.733 -5.954 0.000) 5.999 1.871 ( -3.978 -8.483 0.000) 9.370 1.941 ( 2.531 1.288 0.000) 2.840 1.966 ( 0.090 -0.931 0.000) 0.935 2.022 ( 5.821 1.551 0.000) 6.024 2.100 ( -0.779 -5.636 0.000) 5.689 2.269 ( 1.996 2.182 0.000) 2.957 2.294 ( 0.839 -0.281 0.000) 0.885 2.441 ( 0.813 1.762 0.000) 1.941 2.489 ( -2.387 -1.671 0.000) 2.914 2.736 ( 2.358 1.504 0.000) 2.797 2.814 ( 4.736 -2.934 0.000) 5.571 2.822 ( -5.363 -5.656 0.000) 7.795 2.827 ( 3.476 -4.086 0.000) 5.364 3.303 ( 5.987 2.871 0.000) 6.639 3.366 ( 0.164 -2.220 0.000) 2.226 3.424 ( 0.745 3.276 0.000) 3.360 3.466 ( -3.097 -0.857 0.000) 3.213 3.631 ( 0.652 -3.244 0.000) 3.309 3.653 ( -0.984 -4.783 0.000) 4.883 3.902 ( 4.136 0.816 0.000) 4.216 3.936 ( 0.962 -2.323 0.000) 2.515 4.693 ( -0.990 6.024 0.000) 6.105 4.716 ( -3.376 4.070 0.000) 5.288 5.254 ( 1.305 2.742 0.000) 3.037 5.267 ( 0.155 1.609 0.000) 1.616 5.599 ( 7.627 5.421 0.000) 9.357 5.693 ( 6.666 0.910 0.000) 6.728 5.718 ( -3.273 -5.274 0.000) 6.208 5.744 ( 1.544 -3.714 0.000) 4.022 6.273 ( -0.636 0.624 0.000) 0.891 6.287 ( -1.987 -0.547 0.000) 2.061 6.587 ( -1.387 0.268 0.000) 1.413 6.597 ( -2.243 -0.591 0.000) 2.319 7.881 ( 1.821 0.782 0.000) 1.982 7.905 ( -0.490 -1.462 0.000) 1.542 8.786 ( 3.216 3.037 0.000) 4.424 8.837 ( -1.503 -1.753 0.000) 2.309 8.881 ( 1.251 0.595 0.000) 1.385 8.930 ( -3.794 -3.621 0.000) 5.245 11.417 ( 3.254 8.160 0.000) 8.785 11.493 ( -3.944 2.716 0.000) 4.789 11.826 ( 1.529 -3.487 0.000) 3.808 11.863 ( -1.947 -5.465 0.000) 5.802 13.242 ( 2.948 1.769 0.000) 3.438 13.281 ( -0.585 -1.787 0.000) 1.880 13.513 ( -0.498 0.740 0.000) 0.891 13.524 ( -1.424 -0.328 0.000) 1.461 14.204 ( -0.604 -0.473 0.000) 0.767 14.220 ( -2.157 -1.924 0.000) 2.890 14.339 ( 1.439 0.305 0.000) 1.471 14.368 ( -1.309 -2.251 0.000) 2.603 14.669 ( 1.049 -0.255 0.000) 1.079 14.688 ( -0.820 -2.049 0.000) 2.206 15.091 ( 0.520 0.306 0.000) 0.604 15.096 ( 0.026 -0.150 0.000) 0.153 15.205 ( -0.384 3.953 0.000) 3.971 15.233 ( -3.080 1.370 0.000) 3.371 15.263 ( 3.550 5.108 0.000) 6.220 15.310 ( -0.816 0.813 0.000) 1.152 15.391 ( 0.811 1.073 0.000) 1.345 15.413 ( -0.732 0.298 0.000) 0.790 15.714 ( 0.434 -1.113 0.000) 1.194 15.754 ( -3.341 -4.468 0.000) 5.579 16.031 ( 0.521 -2.448 0.000) 2.503 16.096 ( -5.175 -7.383 0.000) 9.016 16.336 ( -0.451 0.919 0.000) 1.024 16.360 ( -2.823 -1.184 0.000) 3.062 16.754 ( 1.564 2.704 0.000) 3.123 16.770 ( 0.025 1.226 0.000) 1.227 16.825 ( 4.304 5.495 0.000) 6.980 16.894 ( 0.242 -0.059 0.000) 0.249 17.006 ( 0.285 3.552 0.000) 3.563 17.086 ( -4.179 -3.017 0.000) 5.154 17.309 ( -0.640 1.739 0.000) 1.853 17.339 ( -3.134 -1.165 0.000) 3.343 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( 0.000 0.000 14.656) 14.656 0.304 ( 0.000 0.000 16.667) 16.667 0.855 ( 0.000 0.000 41.368) 41.368 1.142 ( 0.000 0.000 16.537) 16.537 1.273 ( 0.000 0.000 16.518) 16.518 1.283 ( 0.000 0.000 2.854) 2.854 1.687 ( 0.000 0.000 -4.654) 4.654 1.692 ( 0.000 0.000 -0.481) 0.481 1.829 ( 0.000 0.000 -0.537) 0.537 1.839 ( 0.000 0.000 -0.336) 0.336 1.993 ( 0.000 0.000 -11.006) 11.006 2.018 ( 0.000 0.000 -8.777) 8.777 2.229 ( 0.000 0.000 -0.797) 0.797 2.281 ( 0.000 0.000 -3.792) 3.792 2.371 ( 0.000 0.000 11.376) 11.376 2.419 ( 0.000 0.000 1.544) 1.544 2.475 ( 0.000 0.000 4.386) 4.386 2.523 ( 0.000 0.000 2.630) 2.630 2.544 ( 0.000 0.000 -0.784) 0.784 2.716 ( 0.000 0.000 13.750) 13.750 2.773 ( 0.000 0.000 5.357) 5.357 2.796 ( 0.000 0.000 15.805) 15.805 3.198 ( 0.000 0.000 -9.010) 9.010 3.202 ( 0.000 0.000 0.762) 0.762 3.404 ( 0.000 0.000 -2.573) 2.573 3.475 ( 0.000 0.000 -1.101) 1.101 3.496 ( 0.000 0.000 0.018) 0.018 3.897 ( 0.000 0.000 -5.224) 5.224 3.933 ( 0.000 0.000 -5.252) 5.252 3.975 ( 0.000 0.000 -2.525) 2.525 4.304 ( 0.000 0.000 -1.054) 1.054 4.534 ( 0.000 0.000 -0.160) 0.160 4.846 ( 0.000 0.000 13.074) 13.074 4.882 ( 0.000 0.000 4.995) 4.995 5.008 ( 0.000 0.000 -3.431) 3.431 5.122 ( 0.000 0.000 -5.855) 5.855 5.758 ( 0.000 0.000 -4.515) 4.515 6.218 ( 0.000 0.000 4.051) 4.051 6.238 ( 0.000 0.000 0.009) 0.009 6.490 ( 0.000 0.000 4.269) 4.269 6.790 ( 0.000 0.000 9.435) 9.435 6.885 ( 0.000 0.000 4.765) 4.765 7.600 ( 0.000 0.000 -10.676) 10.676 7.925 ( 0.000 0.000 -11.758) 11.758 8.375 ( 0.000 0.000 1.237) 1.237 8.551 ( 0.000 0.000 11.347) 11.347 9.085 ( 0.000 0.000 7.157) 7.157 9.425 ( 0.000 0.000 -2.712) 2.712 10.881 ( 0.000 0.000 -7.045) 7.045 11.461 ( 0.000 0.000 -9.595) 9.595 11.913 ( 0.000 0.000 -6.261) 6.261 11.946 ( 0.000 0.000 -7.769) 7.769 13.012 ( 0.000 0.000 5.806) 5.806 13.488 ( 0.000 0.000 7.542) 7.542 13.609 ( 0.000 0.000 6.920) 6.920 14.024 ( 0.000 0.000 5.959) 5.959 14.051 ( 0.000 0.000 -2.753) 2.753 14.064 ( 0.000 0.000 -8.094) 8.094 14.406 ( 0.000 0.000 -3.540) 3.540 14.568 ( 0.000 0.000 13.845) 13.845 14.589 ( 0.000 0.000 12.774) 12.774 14.920 ( 0.000 0.000 -5.837) 5.837 15.123 ( 0.000 0.000 -0.170) 0.170 15.142 ( 0.000 0.000 -3.814) 3.814 15.216 ( 0.000 0.000 -2.776) 2.776 15.346 ( 0.000 0.000 2.494) 2.494 15.372 ( 0.000 0.000 -0.491) 0.491 15.376 ( 0.000 0.000 1.822) 1.822 15.567 ( 0.000 0.000 -10.893) 10.893 15.607 ( 0.000 0.000 2.743) 2.743 15.619 ( 0.000 0.000 1.046) 1.046 16.045 ( 0.000 0.000 2.599) 2.599 16.073 ( 0.000 0.000 -12.011) 12.011 16.314 ( 0.000 0.000 -3.704) 3.704 16.434 ( 0.000 0.000 -6.844) 6.844 16.497 ( 0.000 0.000 10.771) 10.771 16.577 ( 0.000 0.000 7.505) 7.505 16.726 ( 0.000 0.000 0.732) 0.732 16.784 ( 0.000 0.000 1.352) 1.352 16.805 ( 0.000 0.000 0.931) 0.931 16.952 ( 0.000 0.000 -0.446) 0.446 17.139 ( 0.000 0.000 7.481) 7.481 17.238 ( 0.000 0.000 -11.004) 11.004 17.663 ( 0.000 0.000 0.537) 0.537 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 7.994 0.000 10.050) 12.842 0.441 ( 11.335 0.000 9.114) 14.544 0.969 ( 9.297 0.000 34.195) 35.437 1.161 ( 3.028 0.000 9.502) 9.972 1.387 ( 7.143 0.000 8.167) 10.850 1.444 ( 12.560 0.000 10.001) 16.055 1.584 ( -7.676 0.000 -4.985) 9.152 1.695 ( 0.564 0.000 -0.129) 0.578 1.842 ( 3.414 0.000 -0.373) 3.434 1.906 ( 4.592 0.000 -1.123) 4.727 1.944 ( -3.633 0.000 -8.203) 8.971 2.062 ( 1.636 0.000 -4.307) 4.607 2.226 ( -3.811 0.000 8.633) 9.437 2.257 ( 1.904 0.000 0.946) 2.126 2.287 ( -2.994 0.000 14.681) 14.983 2.409 ( 1.902 0.000 -0.594) 1.993 2.471 ( -0.994 0.000 3.242) 3.391 2.498 ( 3.856 0.000 3.826) 5.432 2.552 ( 3.573 0.000 1.695) 3.955 2.760 ( 2.966 0.000 8.203) 8.723 2.765 ( 0.857 0.000 8.387) 8.430 3.161 ( -0.902 0.000 -10.515) 10.553 3.173 ( -1.953 0.000 -0.284) 1.974 3.383 ( 11.746 0.000 -14.844) 18.930 3.460 ( 0.906 0.000 -0.907) 1.282 3.519 ( 9.063 0.000 -10.498) 13.869 3.520 ( 5.426 0.000 -0.649) 5.465 3.827 ( -4.841 0.000 -4.613) 6.687 3.941 ( -2.948 0.000 -2.467) 3.844 3.983 ( 2.918 0.000 -5.064) 5.845 4.304 ( 0.131 0.000 -0.201) 0.241 4.518 ( -1.536 0.000 -0.015) 1.536 4.934 ( 8.537 0.000 12.058) 14.774 5.003 ( 10.395 0.000 0.173) 10.396 5.013 ( 0.559 0.000 -3.841) 3.882 5.128 ( 1.372 0.000 -4.963) 5.149 5.774 ( 1.376 0.000 -4.957) 5.144 6.211 ( -0.987 0.000 4.076) 4.194 6.241 ( 0.400 0.000 -0.157) 0.430 6.419 ( -5.446 0.000 5.270) 7.578 6.800 ( -0.565 0.000 7.501) 7.522 6.846 ( -3.624 0.000 4.192) 5.542 7.622 ( 2.068 0.000 -10.690) 10.888 7.923 ( -0.253 0.000 -11.409) 11.412 8.397 ( 3.116 0.000 0.283) 3.128 8.730 ( 10.175 0.000 -0.093) 10.175 9.069 ( -1.594 0.000 6.886) 7.068 9.363 ( -5.916 0.000 -2.796) 6.543 10.903 ( 2.218 0.000 -7.043) 7.384 11.439 ( -2.274 0.000 -9.257) 9.532 11.903 ( -0.839 0.000 -6.758) 6.810 11.947 ( 0.009 0.000 -7.996) 7.996 13.049 ( 3.497 0.000 6.173) 7.095 13.500 ( 1.126 0.000 7.618) 7.701 13.586 ( -2.264 0.000 6.974) 7.332 13.882 ( -8.433 0.000 15.549) 17.689 14.073 ( 0.785 0.000 -7.911) 7.950 14.094 ( 2.642 0.000 -3.022) 4.014 14.416 ( 0.437 0.000 -3.910) 3.934 14.600 ( 1.002 0.000 12.394) 12.435 14.622 ( 4.222 0.000 9.477) 10.375 14.898 ( -1.952 0.000 -4.102) 4.543 15.063 ( -3.826 0.000 -4.797) 6.136 15.085 ( -5.446 0.000 -1.898) 5.767 15.264 ( 1.067 0.000 2.787) 2.984 15.300 ( -6.457 0.000 4.032) 7.612 15.333 ( -2.238 0.000 -4.084) 4.657 15.346 ( -0.648 0.000 4.094) 4.145 15.408 ( -6.695 0.000 7.008) 9.692 15.513 ( -6.143 0.000 -1.282) 6.276 15.604 ( 1.922 0.000 -4.297) 4.707 16.095 ( 4.369 0.000 2.413) 4.991 16.117 ( 3.563 0.000 -10.107) 10.717 16.413 ( 0.048 0.000 1.869) 1.870 16.431 ( -0.235 0.000 0.338) 0.412 16.497 ( -5.128 0.000 2.490) 5.701 16.535 ( 3.241 0.000 3.295) 4.622 16.709 ( -4.438 0.000 1.676) 4.744 16.715 ( -1.320 0.000 1.461) 1.969 16.784 ( 0.278 0.000 -0.067) 0.286 16.916 ( -3.654 0.000 -0.928) 3.770 17.150 ( 1.266 0.000 7.332) 7.440 17.257 ( -0.951 0.000 -12.101) 12.138 17.623 ( -3.786 0.000 0.808) 3.871 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 14.810 0.000 -0.201) 14.811 0.697 ( 12.929 0.000 4.210) 13.597 1.161 ( 7.694 0.000 17.883) 19.468 1.257 ( 5.529 0.000 6.758) 8.732 1.385 ( -9.444 0.000 -6.389) 11.402 1.472 ( 1.840 0.000 10.125) 10.291 1.659 ( 3.748 0.000 3.390) 5.053 1.765 ( 6.392 0.000 3.890) 7.482 1.847 ( -5.858 0.000 -5.021) 7.715 1.966 ( 8.383 0.000 0.908) 8.432 2.043 ( 7.979 0.000 -1.234) 8.074 2.072 ( 0.562 0.000 10.357) 10.372 2.156 ( -3.077 0.000 10.581) 11.020 2.259 ( 0.624 0.000 16.214) 16.226 2.329 ( 3.797 0.000 -0.138) 3.800 2.393 ( -4.396 0.000 -0.400) 4.414 2.437 ( -1.483 0.000 0.052) 1.484 2.611 ( 6.834 0.000 1.111) 6.924 2.635 ( 0.846 0.000 -0.069) 0.849 2.768 ( 3.834 0.000 1.288) 4.044 2.911 ( 9.145 0.000 3.834) 9.916 3.112 ( -3.297 0.000 -9.807) 10.347 3.140 ( -1.306 0.000 0.865) 1.567 3.418 ( -3.293 0.000 -0.107) 3.295 3.420 ( -0.995 0.000 -1.234) 1.585 3.621 ( -4.300 0.000 -10.233) 11.100 3.695 ( 9.672 0.000 -1.237) 9.751 3.755 ( -0.211 0.000 -7.458) 7.461 3.875 ( -3.005 0.000 -2.589) 3.967 4.027 ( 0.860 0.000 -3.905) 3.998 4.319 ( 1.464 0.000 0.758) 1.648 4.474 ( -2.581 0.000 0.269) 2.595 5.031 ( 1.202 0.000 -5.049) 5.190 5.097 ( 0.016 0.000 -6.693) 6.693 5.183 ( 15.255 0.000 9.450) 17.945 5.324 ( 14.965 0.000 -4.938) 15.758 5.800 ( 0.735 0.000 -6.367) 6.409 6.130 ( -8.387 0.000 4.395) 9.469 6.257 ( 1.219 0.000 -0.161) 1.229 6.327 ( -2.263 0.000 2.655) 3.489 6.752 ( -5.068 0.000 3.635) 6.237 6.754 ( -3.626 0.000 8.306) 9.063 7.683 ( 3.839 0.000 -10.584) 11.259 7.906 ( -1.577 0.000 -10.770) 10.884 8.503 ( 7.164 0.000 -0.814) 7.210 8.872 ( 4.478 0.000 0.621) 4.521 9.018 ( -3.573 0.000 5.975) 6.962 9.199 ( -9.479 0.000 -2.646) 9.841 10.973 ( 4.673 0.000 -7.123) 8.519 11.364 ( -5.173 0.000 -8.491) 9.942 11.892 ( 0.008 0.000 -7.747) 7.747 11.943 ( -0.454 0.000 -8.303) 8.315 13.147 ( 5.840 0.000 6.935) 9.067 13.517 ( -4.441 0.000 7.280) 8.528 13.532 ( 2.018 0.000 7.919) 8.172 13.742 ( -5.450 0.000 15.238) 16.183 14.091 ( 0.967 0.000 -7.462) 7.524 14.144 ( 1.543 0.000 -5.461) 5.675 14.438 ( 2.395 0.000 -0.664) 2.485 14.622 ( 0.841 0.000 10.756) 10.789 14.713 ( 4.507 0.000 7.724) 8.943 14.856 ( -1.789 0.000 -0.786) 1.955 14.979 ( -3.939 0.000 -2.126) 4.476 14.987 ( -3.602 0.000 -6.830) 7.721 15.190 ( -4.735 0.000 2.857) 5.530 15.204 ( -3.847 0.000 0.478) 3.876 15.289 ( -3.399 0.000 6.020) 6.914 15.305 ( -4.415 0.000 1.120) 4.555 15.371 ( 0.003 0.000 -0.039) 0.039 15.393 ( -2.807 0.000 -2.602) 3.827 15.692 ( 6.515 0.000 -0.598) 6.542 16.180 ( -0.479 0.000 3.961) 3.990 16.194 ( 3.773 0.000 -6.714) 7.702 16.258 ( -4.767 0.000 8.992) 10.177 16.427 ( -0.145 0.000 3.085) 3.088 16.477 ( -1.151 0.000 -4.330) 4.480 16.600 ( 2.378 0.000 0.634) 2.461 16.640 ( -3.111 0.000 -0.126) 3.114 16.671 ( -2.674 0.000 1.787) 3.216 16.809 ( -6.166 0.000 0.246) 6.171 16.814 ( 3.183 0.000 -2.679) 4.161 17.192 ( -4.932 0.000 -9.501) 10.705 17.197 ( 3.355 0.000 6.269) 7.110 17.519 ( -6.038 0.000 1.743) 6.284 ======================= Grid point 38 (16/60) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 13.352 0.000 -3.793) 13.880 0.946 ( 10.785 0.000 1.423) 10.879 1.161 ( -6.305 0.000 -1.264) 6.431 1.183 ( -10.315 0.000 -6.244) 12.058 1.423 ( 9.854 0.000 15.048) 17.987 1.560 ( 6.767 0.000 5.588) 8.776 1.606 ( -7.161 0.000 7.845) 10.622 1.710 ( -7.343 0.000 -0.502) 7.360 1.920 ( 8.202 0.000 6.037) 10.184 2.069 ( -5.254 0.000 3.561) 6.347 2.110 ( 1.390 0.000 19.458) 19.508 2.116 ( 2.696 0.000 10.816) 11.147 2.175 ( 6.532 0.000 -1.615) 6.728 2.287 ( -4.847 0.000 -1.353) 5.032 2.301 ( 3.110 0.000 5.574) 6.383 2.382 ( -4.068 0.000 0.783) 4.143 2.438 ( 6.894 0.000 2.546) 7.350 2.570 ( -5.413 0.000 3.981) 6.720 2.770 ( 8.511 0.000 -0.212) 8.514 2.879 ( 2.930 0.000 -7.157) 7.733 2.987 ( -2.741 0.000 -1.795) 3.276 3.034 ( -4.246 0.000 -8.736) 9.713 3.213 ( 10.328 0.000 2.120) 10.543 3.378 ( 0.043 0.000 0.221) 0.225 3.385 ( -2.786 0.000 -0.659) 2.863 3.455 ( -9.445 0.000 -1.988) 9.652 3.773 ( 1.397 0.000 -5.977) 6.138 3.810 ( -1.728 0.000 -3.490) 3.894 3.890 ( 7.109 0.000 -1.868) 7.350 4.003 ( -3.399 0.000 -2.648) 4.308 4.362 ( 2.582 0.000 0.749) 2.688 4.418 ( -2.827 0.000 0.541) 2.878 5.059 ( 1.455 0.000 -6.014) 6.188 5.085 ( -1.025 0.000 -6.519) 6.599 5.522 ( 16.736 0.000 5.009) 17.470 5.600 ( 10.467 0.000 -9.407) 14.073 5.779 ( -3.166 0.000 -7.796) 8.414 5.886 ( -14.292 0.000 4.283) 14.920 6.289 ( 1.654 0.000 0.847) 1.858 6.310 ( -0.375 0.000 1.836) 1.874 6.667 ( -2.360 0.000 4.958) 5.491 6.677 ( -2.992 0.000 7.468) 8.045 7.771 ( 4.507 0.000 -10.393) 11.328 7.855 ( -3.470 0.000 -10.387) 10.952 8.683 ( 10.245 0.000 -1.011) 10.295 8.895 ( -9.239 0.000 1.443) 9.351 8.945 ( 3.283 0.000 2.722) 4.265 9.029 ( -5.775 0.000 1.186) 5.895 11.091 ( 6.689 0.000 -7.346) 9.935 11.235 ( -7.079 0.000 -7.797) 10.531 11.904 ( 1.078 0.000 -8.404) 8.473 11.928 ( -1.054 0.000 -8.524) 8.589 13.277 ( 6.631 0.000 7.525) 10.030 13.408 ( -6.049 0.000 7.623) 9.732 13.582 ( 2.836 0.000 8.927) 9.367 13.649 ( -3.831 0.000 11.429) 12.054 14.115 ( 1.386 0.000 -7.039) 7.174 14.144 ( -1.193 0.000 -6.830) 6.934 14.520 ( 5.138 0.000 1.994) 5.512 14.609 ( -2.682 0.000 6.083) 6.648 14.797 ( 3.271 0.000 7.714) 8.379 14.833 ( -0.702 0.000 3.817) 3.881 14.926 ( -1.414 0.000 -3.626) 3.892 14.927 ( -1.729 0.000 -4.620) 4.932 15.115 ( -1.793 0.000 0.951) 2.029 15.140 ( -3.286 0.000 0.473) 3.320 15.208 ( -1.758 0.000 1.257) 2.161 15.227 ( -2.485 0.000 3.336) 4.160 15.372 ( 0.107 0.000 -0.568) 0.578 15.376 ( -0.249 0.000 -1.545) 1.565 15.849 ( 8.302 0.000 3.768) 9.117 16.021 ( -8.747 0.000 7.862) 11.761 16.271 ( 3.693 0.000 -4.206) 5.598 16.306 ( 1.848 0.000 -1.006) 2.104 16.423 ( -0.316 0.000 1.727) 1.756 16.433 ( -2.219 0.000 -0.804) 2.361 16.583 ( -1.559 0.000 -0.850) 1.776 16.596 ( -2.193 0.000 1.381) 2.591 16.653 ( 1.371 0.000 2.269) 2.651 16.703 ( -3.712 0.000 2.859) 4.686 16.920 ( 6.801 0.000 -5.557) 8.783 17.067 ( -7.069 0.000 -7.602) 10.381 17.283 ( 4.872 0.000 4.616) 6.712 17.393 ( -5.944 0.000 3.139) 6.722 ======================= Grid point 42 (17/60) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 12.932 10.116) 16.419 0.523 ( 0.000 15.785 9.128) 18.234 0.973 ( 0.000 8.534 29.251) 30.470 1.083 ( 0.000 -4.027 16.284) 16.774 1.334 ( 0.000 5.077 2.948) 5.871 1.356 ( 0.000 6.320 13.219) 14.652 1.688 ( 0.000 -0.059 -2.235) 2.235 1.725 ( 0.000 2.057 -0.841) 2.222 1.818 ( 0.000 -1.149 -0.296) 1.186 1.834 ( 0.000 -0.527 -1.990) 2.058 1.962 ( 0.000 -5.279 -5.507) 7.629 1.972 ( 0.000 -2.023 -8.856) 9.084 2.221 ( 0.000 -0.600 -0.652) 0.886 2.268 ( 0.000 -2.728 -2.896) 3.978 2.319 ( 0.000 -3.394 1.452) 3.691 2.352 ( 0.000 -2.890 16.059) 16.317 2.386 ( 0.000 -4.522 -0.751) 4.584 2.500 ( 0.000 -10.126 25.350) 27.298 2.567 ( 0.000 0.798 1.739) 1.913 2.606 ( 0.000 0.163 8.216) 8.218 2.711 ( 0.000 -0.156 9.260) 9.261 2.763 ( 0.000 -0.802 4.122) 4.199 3.142 ( 0.000 -5.707 0.297) 5.715 3.246 ( 0.000 -9.966 -4.892) 11.102 3.264 ( 0.000 5.390 -7.012) 8.844 3.441 ( 0.000 1.479 -1.781) 2.315 3.647 ( 0.000 3.621 -0.892) 3.729 3.795 ( 0.000 -8.136 -0.888) 8.185 3.804 ( 0.000 -7.331 -5.101) 8.932 3.853 ( 0.000 -7.489 -2.566) 7.917 4.532 ( 0.000 14.490 -3.262) 14.852 4.836 ( 0.000 12.338 -13.750) 18.474 4.970 ( 0.000 7.762 3.564) 8.542 4.976 ( 0.000 10.396 9.827) 14.305 5.074 ( 0.000 5.112 -3.371) 6.123 5.178 ( 0.000 5.189 -4.855) 7.106 5.674 ( 0.000 -7.550 -3.822) 8.462 6.072 ( 0.000 -13.291 1.546) 13.381 6.258 ( 0.000 3.485 3.998) 5.304 6.489 ( 0.000 -0.929 4.422) 4.518 6.791 ( 0.000 0.192 9.612) 9.614 6.871 ( 0.000 -1.324 6.303) 6.441 7.619 ( 0.000 1.764 -10.750) 10.894 7.867 ( 0.000 -4.638 -10.820) 11.772 8.488 ( 0.000 10.109 0.666) 10.131 8.628 ( 0.000 6.363 9.505) 11.439 9.051 ( 0.000 -3.498 6.987) 7.814 9.335 ( 0.000 -8.239 -1.937) 8.464 10.989 ( 0.000 9.819 -6.985) 12.050 11.573 ( 0.000 6.961 -14.412) 16.005 11.804 ( 0.000 -8.754 -6.863) 11.123 11.929 ( 0.000 -2.793 -7.784) 8.270 13.055 ( 0.000 3.800 5.871) 6.994 13.418 ( 0.000 -5.241 6.669) 8.482 13.650 ( 0.000 2.690 8.421) 8.840 13.869 ( 0.000 -8.121 15.645) 17.627 14.083 ( 0.000 1.568 -7.907) 8.061 14.092 ( 0.000 3.275 -3.790) 5.009 14.421 ( 0.000 1.724 -2.734) 3.232 14.608 ( 0.000 1.458 12.327) 12.413 14.611 ( 0.000 3.872 13.621) 14.160 14.877 ( 0.000 -3.431 -3.230) 4.712 15.101 ( 0.000 -4.318 2.771) 5.131 15.107 ( 0.000 -1.341 -0.194) 1.355 15.200 ( 0.000 4.251 -4.947) 6.522 15.308 ( 0.000 -4.800 5.093) 6.998 15.336 ( 0.000 -4.227 -0.496) 4.256 15.338 ( 0.000 -1.946 -4.183) 4.613 15.466 ( 0.000 -7.788 1.614) 7.954 15.489 ( 0.000 -2.769 -3.017) 4.095 15.712 ( 0.000 4.551 -4.687) 6.533 16.139 ( 0.000 -1.410 1.090) 1.782 16.140 ( 0.000 5.548 -9.552) 11.046 16.207 ( 0.000 -2.886 3.767) 4.746 16.440 ( 0.000 6.594 -3.265) 7.358 16.517 ( 0.000 1.764 9.963) 10.118 16.653 ( 0.000 0.380 0.347) 0.514 16.713 ( 0.000 -1.327 0.875) 1.590 16.767 ( 0.000 -1.451 0.290) 1.480 16.826 ( 0.000 -1.808 -3.302) 3.764 17.011 ( 0.000 4.294 -3.804) 5.737 17.088 ( 0.000 -2.241 2.306) 3.216 17.327 ( 0.000 5.734 -5.577) 7.999 17.628 ( 0.000 -2.958 0.162) 2.963 ======================= Grid point 43 (18/60) ======================= q-point: ( 0.14 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 6.946 12.538 4.954) 15.166 0.651 ( 7.703 13.526 7.124) 17.119 1.036 ( 5.366 4.516 24.576) 25.557 1.124 ( 4.044 -2.316 11.356) 12.275 1.394 ( 4.185 0.801 6.354) 7.651 1.494 ( 9.996 4.126 8.308) 13.637 1.561 ( -7.537 -1.148 0.320) 7.631 1.744 ( 1.766 2.025 -1.541) 3.097 1.821 ( 2.314 -0.411 -2.436) 3.385 1.905 ( 0.163 -2.054 -2.225) 3.032 1.916 ( 2.408 -1.177 -2.772) 3.856 2.043 ( 2.675 -1.682 -3.941) 5.051 2.203 ( -2.450 -1.586 6.585) 7.203 2.243 ( -0.364 -0.827 4.618) 4.706 2.268 ( -2.345 -1.175 13.973) 14.218 2.362 ( 1.742 -7.676 2.259) 8.189 2.413 ( 3.045 -1.678 1.415) 3.753 2.488 ( -0.502 1.286 0.795) 1.593 2.581 ( 3.188 -1.740 6.278) 7.253 2.695 ( 3.350 -5.105 7.009) 9.296 2.758 ( -0.646 -0.105 4.984) 5.027 2.941 ( 11.080 -13.037 1.842) 17.208 3.157 ( 1.126 -5.231 0.108) 5.351 3.264 ( -0.026 4.727 -5.878) 7.543 3.334 ( 8.249 -10.661 -9.631) 16.567 3.515 ( 6.282 0.306 -1.662) 6.505 3.636 ( -0.606 3.558 -1.163) 3.792 3.745 ( -3.671 -7.061 -3.512) 8.699 3.784 ( -1.380 -6.705 -1.184) 6.947 3.901 ( 3.290 -7.018 -3.152) 8.367 4.513 ( -1.373 13.765 -2.074) 13.988 4.764 ( -5.882 12.104 -8.632) 15.988 5.039 ( 6.181 7.640 6.344) 11.697 5.077 ( 0.313 4.902 -3.632) 6.109 5.084 ( 9.472 7.632 2.126) 12.348 5.188 ( 1.680 5.575 -3.720) 6.909 5.700 ( 2.188 -6.718 -4.645) 8.455 6.062 ( -0.976 -12.583 1.894) 12.762 6.263 ( 0.319 3.044 3.403) 4.576 6.448 ( -3.653 0.499 3.984) 5.428 6.786 ( -1.320 -0.824 8.163) 8.310 6.832 ( -3.336 -1.210 5.740) 6.749 7.639 ( 1.941 1.661 -10.711) 11.011 7.875 ( 0.404 -4.140 -11.005) 11.765 8.491 ( 1.622 8.574 0.520) 8.742 8.737 ( 7.286 2.405 5.115) 9.221 9.037 ( -1.398 -3.205 6.857) 7.697 9.285 ( -4.877 -7.323 -2.167) 9.061 11.008 ( 1.857 9.446 -7.026) 11.918 11.529 ( -3.850 6.234 -11.807) 13.896 11.805 ( 0.108 -7.879 -7.424) 10.826 11.925 ( -0.436 -2.987 -8.125) 8.668 13.088 ( 3.152 3.497 6.255) 7.829 13.427 ( 0.791 -5.103 6.803) 8.541 13.634 ( -1.578 2.877 8.443) 9.058 13.815 ( -4.297 -4.529 16.284) 17.440 14.073 ( 0.039 0.753 -7.226) 7.266 14.125 ( 1.645 1.842 -5.002) 5.579 14.421 ( 0.151 1.434 -1.851) 2.346 14.601 ( 0.224 0.675 12.113) 12.134 14.656 ( 2.863 2.505 10.584) 11.246 14.849 ( -2.280 -3.251 -0.661) 4.025 15.051 ( -1.986 -0.450 -2.508) 3.230 15.146 ( -2.373 0.624 1.242) 2.750 15.174 ( 0.711 0.026 0.800) 1.071 15.233 ( -5.002 -5.192 2.390) 7.595 15.315 ( -1.790 -2.051 -3.781) 4.660 15.353 ( -0.303 -0.042 -3.099) 3.114 15.412 ( -4.633 0.728 1.693) 4.986 15.483 ( 0.380 -5.202 2.768) 5.905 15.676 ( -1.285 4.584 -5.260) 7.094 16.054 ( -3.095 2.169 -5.336) 6.539 16.135 ( -2.233 -9.265 1.700) 9.680 16.271 ( 2.299 1.209 -0.544) 2.653 16.471 ( 1.089 2.966 2.355) 3.941 16.541 ( 2.528 2.188 4.535) 5.634 16.626 ( -1.925 0.569 0.345) 2.036 16.692 ( -4.169 1.110 -1.357) 4.523 16.751 ( -0.817 0.683 1.375) 1.739 16.781 ( -1.047 -0.796 -0.807) 1.543 16.983 ( -2.512 4.998 -2.987) 6.341 17.112 ( 1.583 -1.864 1.639) 2.944 17.319 ( -1.398 4.324 -5.757) 7.335 17.591 ( -3.521 -2.806 0.561) 4.537 ======================= Grid point 44 (19/60) ======================= q-point: ( 0.29 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 12.969 8.796 -1.058) 15.707 0.818 ( 9.069 8.845 4.095) 13.313 1.158 ( 5.816 -0.918 10.241) 11.813 1.219 ( 3.069 -2.083 5.767) 6.857 1.377 ( -4.433 -0.914 1.692) 4.833 1.477 ( -0.273 0.421 10.281) 10.293 1.645 ( 2.684 -0.589 2.570) 3.762 1.822 ( -2.015 -1.060 -3.003) 3.769 1.838 ( 4.295 3.905 0.742) 5.852 1.918 ( 5.149 -4.169 2.371) 7.036 2.046 ( 6.701 0.516 0.511) 6.741 2.085 ( 2.933 0.855 5.089) 5.936 2.141 ( -3.296 -1.571 13.087) 13.587 2.236 ( -0.340 -2.525 4.409) 5.092 2.264 ( 1.495 -2.275 14.196) 14.455 2.374 ( -1.151 -4.237 3.254) 5.465 2.461 ( 1.035 -3.518 -2.151) 4.252 2.488 ( 0.718 -0.324 -2.047) 2.193 2.678 ( 3.257 -2.110 1.158) 4.049 2.723 ( 1.988 -3.669 1.881) 4.577 2.813 ( 5.874 -4.228 0.445) 7.251 3.056 ( 1.085 -5.978 -0.951) 6.150 3.177 ( 1.965 -3.233 1.014) 3.916 3.266 ( 0.645 2.610 -3.265) 4.229 3.434 ( 0.137 -6.434 -5.882) 8.718 3.566 ( -3.774 -3.311 -4.681) 6.864 3.682 ( 3.261 -3.024 -4.359) 6.227 3.733 ( 5.712 -0.659 -1.425) 5.924 3.751 ( -1.429 -5.428 -1.027) 5.706 3.963 ( 2.249 -5.143 -3.227) 6.475 4.493 ( -0.387 12.077 -0.728) 12.105 4.639 ( -5.687 10.512 -2.768) 12.268 5.089 ( 0.949 4.596 -4.709) 6.648 5.138 ( 1.045 3.136 -5.722) 6.608 5.272 ( 11.904 8.037 7.566) 16.234 5.361 ( 13.048 3.259 -4.414) 14.154 5.747 ( 1.914 -4.832 -6.027) 7.958 6.018 ( -4.159 -9.424 3.175) 10.779 6.265 ( -0.130 1.721 1.678) 2.407 6.365 ( -3.670 1.450 2.374) 4.605 6.723 ( -4.189 -1.326 5.519) 7.055 6.756 ( -4.052 -0.772 6.536) 7.728 7.695 ( 3.430 1.185 -10.624) 11.227 7.872 ( -0.828 -2.966 -10.718) 11.151 8.564 ( 5.385 5.561 -0.846) 7.787 8.858 ( 4.486 -0.098 3.685) 5.806 8.991 ( -3.244 -2.554 5.905) 7.205 9.149 ( -7.851 -4.757 -1.757) 9.347 11.067 ( 3.935 8.354 -7.150) 11.679 11.429 ( -5.811 5.189 -9.149) 12.016 11.815 ( 1.011 -6.350 -8.219) 10.435 11.910 ( -1.046 -3.535 -8.564) 9.323 13.177 ( 5.277 2.676 7.082) 9.228 13.440 ( -0.105 -4.250 7.245) 8.400 13.595 ( -1.697 2.931 8.574) 9.219 13.724 ( -4.271 -1.442 14.341) 15.033 14.079 ( 0.497 -0.590 -7.193) 7.234 14.143 ( -0.097 -0.573 -6.235) 6.262 14.440 ( 1.921 0.814 0.723) 2.208 14.603 ( -0.459 -1.606 9.213) 9.363 14.711 ( 2.387 -0.295 6.712) 7.130 14.812 ( -0.991 -2.164 6.055) 6.506 15.014 ( -1.811 2.473 -4.413) 5.373 15.074 ( -3.084 5.429 -1.591) 6.443 15.138 ( -2.746 -1.011 0.395) 2.953 15.194 ( -0.656 -1.979 3.341) 3.938 15.256 ( -3.015 -0.872 -2.328) 3.907 15.335 ( -1.367 1.227 -1.226) 2.209 15.372 ( -0.201 0.188 0.294) 0.403 15.445 ( -3.871 1.995 1.976) 4.782 15.690 ( 2.615 -0.068 -3.015) 3.992 16.043 ( -5.817 -9.962 3.257) 11.987 16.049 ( 1.944 -6.450 -3.894) 7.780 16.282 ( -1.012 -2.526 -1.833) 3.281 16.458 ( -2.055 0.047 6.939) 7.237 16.546 ( -5.872 2.414 2.332) 6.764 16.602 ( 3.064 3.213 0.105) 4.441 16.632 ( 0.360 2.994 0.107) 3.017 16.750 ( -0.262 3.321 1.738) 3.757 16.805 ( 3.287 0.191 -4.224) 5.356 16.903 ( -5.098 6.077 -2.144) 8.217 17.132 ( -0.597 -2.295 -2.970) 3.801 17.279 ( -1.360 4.045 -0.399) 4.286 17.496 ( -5.399 -2.108 1.739) 6.051 ======================= Grid point 45 (20/60) ======================= q-point: ( 0.43 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 9.967 3.678 -0.631) 10.643 1.026 ( 10.031 6.300 -1.261) 11.912 1.143 ( -6.069 -0.983 -1.844) 6.419 1.219 ( -4.254 2.666 -4.397) 6.674 1.385 ( 4.197 -2.845 10.533) 11.690 1.456 ( -1.688 -5.866 8.457) 10.430 1.674 ( 1.412 2.712 7.498) 8.097 1.733 ( -4.285 1.598 2.342) 5.138 1.928 ( 4.611 -0.139 4.233) 6.261 2.039 ( -4.728 -3.338 5.100) 7.714 2.071 ( 6.419 -4.136 6.398) 9.963 2.124 ( 1.387 1.260 15.557) 15.669 2.165 ( 2.007 -0.111 3.874) 4.364 2.212 ( -2.453 -4.177 -1.415) 5.047 2.309 ( 2.705 -0.729 9.206) 9.623 2.387 ( -1.603 -1.154 6.039) 6.354 2.423 ( 1.676 -0.970 0.406) 1.979 2.498 ( -1.953 -4.308 1.966) 5.122 2.718 ( 4.397 -4.456 -3.585) 7.214 2.798 ( -0.135 -6.846 -7.317) 10.021 2.916 ( 4.123 -3.448 -2.697) 6.014 3.000 ( -4.424 -3.832 0.337) 5.863 3.259 ( 5.281 0.787 -0.935) 5.421 3.307 ( 2.373 0.128 -1.702) 2.923 3.402 ( -1.902 -1.016 -0.789) 2.296 3.449 ( -6.085 -0.314 -2.335) 6.525 3.716 ( 0.665 -5.006 -4.674) 6.881 3.727 ( -0.712 -5.483 -2.837) 6.214 3.883 ( 6.520 -0.358 -1.998) 6.829 3.971 ( -1.889 -2.645 -2.762) 4.265 4.500 ( 1.185 10.060 0.007) 10.130 4.546 ( -3.385 9.303 -0.305) 9.904 5.113 ( 1.261 4.337 -5.622) 7.211 5.135 ( -0.793 3.986 -6.140) 7.364 5.551 ( 13.526 2.489 4.025) 14.330 5.599 ( 8.660 -0.048 -8.384) 12.054 5.756 ( -1.092 -1.889 -6.163) 6.538 5.864 ( -10.516 -2.176 4.440) 11.621 6.274 ( 1.399 -0.732 0.612) 1.693 6.312 ( -1.991 -0.310 1.591) 2.567 6.655 ( -1.598 -0.697 5.250) 5.532 6.675 ( -3.214 -0.469 6.218) 7.015 7.771 ( 3.741 0.083 -10.547) 11.191 7.837 ( -2.562 -1.477 -10.534) 10.941 8.705 ( 8.248 1.998 -1.284) 8.583 8.879 ( -7.704 -1.536 0.694) 7.886 8.935 ( 3.032 -0.547 4.456) 5.417 9.010 ( -4.845 -1.680 2.562) 5.733 11.168 ( 5.880 6.822 -7.424) 11.672 11.299 ( -6.694 5.479 -7.976) 11.766 11.845 ( 1.812 -5.168 -8.696) 10.277 11.882 ( -1.674 -4.293 -8.791) 9.926 13.293 ( 5.772 1.386 7.787) 9.791 13.398 ( -4.074 -0.978 7.884) 8.928 13.592 ( 1.554 0.906 9.124) 9.300 13.645 ( -3.398 -0.344 11.192) 11.702 14.094 ( 1.047 -1.556 -6.910) 7.160 14.123 ( -1.559 -1.872 -6.825) 7.246 14.500 ( 3.701 -1.209 2.915) 4.863 14.571 ( -2.736 -2.869 5.276) 6.599 14.756 ( 2.124 -2.129 6.886) 7.514 14.794 ( -1.330 -2.464 9.111) 9.531 14.990 ( -0.046 4.744 -4.481) 6.526 15.017 ( -2.435 5.369 -4.084) 7.172 15.136 ( 2.350 2.972 -0.153) 3.792 15.195 ( 1.402 1.891 2.415) 3.372 15.197 ( -2.585 0.010 -0.461) 2.626 15.274 ( -4.874 4.623 3.195) 7.439 15.372 ( 0.128 -0.037 -0.945) 0.954 15.382 ( -1.266 0.921 -1.499) 2.168 15.775 ( 5.466 -5.337 0.218) 7.643 15.903 ( -6.859 -8.574 3.100) 11.409 16.132 ( 5.025 -9.631 -3.650) 11.460 16.230 ( -4.049 -8.226 -3.154) 9.696 16.423 ( -0.472 0.982 7.512) 7.590 16.451 ( -3.124 1.354 5.213) 6.227 16.654 ( 2.231 5.099 -1.311) 5.718 16.670 ( 2.078 5.584 0.625) 5.991 16.733 ( -0.668 5.199 1.206) 5.378 16.783 ( -4.880 6.130 -1.517) 7.981 16.919 ( 6.424 -0.329 -5.168) 8.251 17.056 ( -6.181 -1.155 -7.062) 9.455 17.302 ( 3.216 1.628 4.040) 5.414 17.388 ( -4.910 -0.566 3.161) 5.867 ======================= Grid point 49 (21/60) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 12.504 10.047) 16.041 0.848 ( 0.000 12.352 4.461) 13.133 0.979 ( 0.000 -5.478 15.183) 16.141 1.060 ( 0.000 -2.717 10.206) 10.562 1.513 ( 0.000 10.791 3.716) 11.412 1.524 ( 0.000 9.192 6.345) 11.169 1.698 ( 0.000 1.224 0.693) 1.406 1.742 ( 0.000 -2.239 -0.709) 2.348 1.746 ( 0.000 -4.700 0.633) 4.742 1.768 ( 0.000 -7.647 -2.155) 7.945 1.857 ( 0.000 -0.872 -0.089) 0.876 1.903 ( 0.000 -4.098 -4.422) 6.029 2.208 ( 0.000 -0.760 0.596) 0.965 2.218 ( 0.000 -0.060 1.320) 1.321 2.263 ( 0.000 -2.414 6.560) 6.990 2.284 ( 0.000 -2.579 5.145) 5.755 2.359 ( 0.000 0.375 9.191) 9.199 2.369 ( 0.000 -1.459 15.792) 15.860 2.569 ( 0.000 0.086 6.323) 6.323 2.597 ( 0.000 -1.778 7.835) 8.035 2.725 ( 0.000 1.240 2.052) 2.398 2.747 ( 0.000 -0.794 0.989) 1.268 3.017 ( 0.000 -3.520 -0.240) 3.529 3.055 ( 0.000 -6.710 -3.420) 7.532 3.390 ( 0.000 5.853 -5.505) 8.035 3.468 ( 0.000 -0.259 -3.444) 3.454 3.656 ( 0.000 -2.871 -3.215) 4.310 3.690 ( 0.000 -3.960 -0.794) 4.039 3.692 ( 0.000 -0.265 -0.382) 0.465 3.709 ( 0.000 -3.438 -0.515) 3.476 4.804 ( 0.000 10.227 -5.097) 11.427 4.937 ( 0.000 -1.706 -8.601) 8.768 5.154 ( 0.000 4.023 0.166) 4.027 5.163 ( 0.000 2.854 -2.349) 3.697 5.189 ( 0.000 12.055 1.248) 12.119 5.381 ( 0.000 14.194 2.073) 14.345 5.461 ( 0.000 -11.466 -1.864) 11.617 5.739 ( 0.000 -17.247 2.501) 17.427 6.348 ( 0.000 4.622 3.559) 5.833 6.439 ( 0.000 -3.647 3.455) 5.023 6.804 ( 0.000 1.070 9.719) 9.778 6.836 ( 0.000 -1.782 8.748) 8.928 7.674 ( 0.000 3.423 -10.694) 11.228 7.762 ( 0.000 -4.786 -10.431) 11.476 8.758 ( 0.000 13.593 -1.663) 13.694 8.779 ( 0.000 7.070 6.416) 9.547 8.951 ( 0.000 -4.866 8.921) 10.162 9.097 ( 0.000 -13.480 0.561) 13.492 11.258 ( 0.000 14.556 -6.894) 16.106 11.564 ( 0.000 -13.529 -6.908) 15.190 11.710 ( 0.000 6.173 -12.381) 13.835 11.836 ( 0.000 -5.550 -9.551) 11.046 13.161 ( 0.000 5.900 6.022) 8.431 13.293 ( 0.000 -6.331 6.167) 8.838 13.703 ( 0.000 2.298 10.688) 10.932 13.757 ( 0.000 -3.224 13.724) 14.097 14.123 ( 0.000 1.902 -7.843) 8.070 14.143 ( 0.000 0.653 -6.684) 6.716 14.499 ( 0.000 5.657 1.520) 5.858 14.608 ( 0.000 -2.832 7.872) 8.366 14.713 ( 0.000 5.117 11.588) 12.668 14.801 ( 0.000 -3.395 4.781) 5.864 15.064 ( 0.000 -0.030 0.392) 0.393 15.077 ( 0.000 -1.216 -0.083) 1.219 15.188 ( 0.000 -5.554 0.344) 5.565 15.189 ( 0.000 -4.596 1.494) 4.833 15.283 ( 0.000 2.580 -5.717) 6.272 15.310 ( 0.000 -0.833 -5.809) 5.868 15.410 ( 0.000 0.828 -0.476) 0.955 15.448 ( 0.000 -1.880 0.011) 1.880 15.805 ( 0.000 4.913 -3.631) 6.109 15.946 ( 0.000 -8.684 -0.062) 8.684 16.263 ( 0.000 4.876 -5.012) 6.992 16.298 ( 0.000 2.299 -0.117) 2.302 16.544 ( 0.000 3.077 1.873) 3.602 16.558 ( 0.000 1.508 7.870) 8.013 16.646 ( 0.000 -0.144 0.475) 0.496 16.671 ( 0.000 -2.295 0.453) 2.340 16.740 ( 0.000 -0.530 -1.407) 1.503 16.764 ( 0.000 -2.801 -1.930) 3.401 17.065 ( 0.000 0.884 -3.070) 3.195 17.068 ( 0.000 0.020 -0.343) 0.344 17.445 ( 0.000 5.279 -3.219) 6.183 17.548 ( 0.000 -4.423 -1.264) 4.600 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.14 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 4.127 12.452 5.356) 14.170 0.918 ( 4.331 8.598 4.826) 10.769 1.000 ( 2.766 -3.526 11.123) 11.992 1.120 ( 3.933 -3.415 9.550) 10.879 1.456 ( -3.414 5.646 4.765) 8.139 1.545 ( -4.741 -1.356 4.167) 6.456 1.603 ( 1.716 6.103 3.234) 7.117 1.741 ( 0.141 -2.740 -1.464) 3.110 1.780 ( 3.492 -2.744 0.131) 4.443 1.847 ( 6.151 -2.918 -1.084) 6.894 1.911 ( 3.418 1.303 0.283) 3.669 1.983 ( 3.971 -4.132 -1.711) 5.981 2.194 ( -3.016 0.834 13.122) 13.490 2.229 ( -0.642 -1.009 12.146) 12.204 2.243 ( -1.004 -1.213 2.411) 2.880 2.253 ( 1.251 -1.494 0.665) 2.059 2.380 ( 1.405 0.177 3.239) 3.535 2.431 ( 3.220 -3.987 4.963) 7.134 2.562 ( 0.978 0.572 4.820) 4.952 2.602 ( 1.732 -3.467 6.475) 7.546 2.780 ( 1.743 2.456 2.686) 4.036 2.829 ( 7.166 -1.588 0.965) 7.403 3.046 ( 2.598 -2.996 -0.287) 3.976 3.109 ( 5.710 -8.529 -4.688) 11.284 3.389 ( -0.135 5.850 -5.005) 7.701 3.493 ( 1.202 -3.293 -4.007) 5.324 3.651 ( -0.023 -0.432 -1.899) 1.948 3.666 ( -1.175 -0.330 -0.944) 1.543 3.702 ( 0.734 -0.932 -0.120) 1.193 3.755 ( 4.126 -5.609 -1.604) 7.145 4.773 ( -2.531 9.722 -3.867) 10.764 4.888 ( -4.350 -0.368 -6.629) 7.938 5.162 ( 1.234 3.116 -1.905) 3.855 5.165 ( 0.310 2.580 -3.134) 4.071 5.278 ( 7.525 9.950 0.098) 12.476 5.405 ( 2.467 14.080 2.894) 14.585 5.511 ( 4.426 -9.867 -2.961) 11.213 5.750 ( 1.048 -16.187 2.673) 16.440 6.342 ( -0.669 4.063 3.238) 5.239 6.419 ( -1.913 -2.884 3.190) 4.707 6.781 ( -2.378 0.445 8.509) 8.847 6.802 ( -2.987 -1.413 7.785) 8.457 7.692 ( 1.624 3.291 -10.669) 11.282 7.776 ( 1.189 -4.609 -10.547) 11.571 8.723 ( -1.192 11.694 0.747) 11.778 8.834 ( 2.877 5.161 2.880) 6.574 8.945 ( -0.643 -4.221 8.579) 9.583 9.075 ( -2.105 -11.489 0.762) 11.705 11.266 ( 0.756 13.876 -6.952) 15.539 11.547 ( -1.742 -10.729 -7.117) 12.992 11.701 ( -0.554 4.531 -11.507) 12.379 11.826 ( -0.922 -5.875 -9.556) 11.255 13.186 ( 2.376 5.459 6.381) 8.727 13.309 ( 1.455 -5.913 6.460) 8.878 13.688 ( -1.419 2.308 10.582) 10.923 13.738 ( -1.765 -2.707 13.443) 13.826 14.105 ( -1.206 2.019 -7.563) 7.920 14.140 ( -0.657 -0.731 -7.018) 7.087 14.494 ( -0.486 5.089 2.275) 5.595 14.593 ( -1.455 -2.874 7.369) 8.043 14.715 ( 0.053 3.374 9.541) 10.121 14.787 ( -1.147 -2.924 7.287) 7.935 15.057 ( -0.168 1.093 -0.947) 1.456 15.093 ( 0.932 -2.012 1.199) 2.521 15.159 ( 0.102 0.218 0.292) 0.379 15.240 ( 0.839 -3.241 -2.302) 4.063 15.276 ( -0.244 1.358 -3.642) 3.894 15.317 ( 1.093 -2.498 -3.414) 4.369 15.397 ( -0.824 -0.052 -0.376) 0.907 15.419 ( -2.209 -0.691 1.103) 2.564 15.763 ( -3.313 4.818 -3.856) 7.004 15.913 ( -3.214 -9.409 -0.350) 9.949 16.163 ( -6.826 6.428 -4.096) 10.232 16.274 ( -3.859 -3.013 -2.512) 5.503 16.525 ( -1.759 2.412 6.786) 7.413 16.564 ( -0.220 -0.636 5.562) 5.602 16.657 ( 1.955 2.791 0.401) 3.431 16.700 ( 0.371 -0.651 -1.343) 1.538 16.746 ( 1.039 -0.598 -0.145) 1.207 16.754 ( 0.626 -1.239 -1.934) 2.380 17.060 ( -0.513 2.170 -2.844) 3.614 17.089 ( 0.997 -0.809 -1.756) 2.175 17.417 ( -2.508 4.792 -2.363) 5.902 17.514 ( -3.130 -4.243 -0.543) 5.300 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.29 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 9.437 9.519 0.660) 13.421 0.994 ( 3.602 7.210 4.642) 9.301 1.091 ( 6.078 -4.609 5.094) 9.172 1.161 ( -0.423 -5.474 3.527) 6.525 1.401 ( -1.555 3.937 4.640) 6.280 1.475 ( -2.876 -1.635 5.339) 6.281 1.652 ( 2.264 2.585 1.915) 3.934 1.768 ( 2.086 -6.908 3.791) 8.151 1.842 ( 1.621 4.041 2.369) 4.957 1.936 ( 1.161 3.551 0.664) 3.794 1.996 ( 3.126 -7.572 1.737) 8.374 2.031 ( 2.175 -4.950 -0.025) 5.407 2.146 ( -0.187 2.837 17.593) 17.821 2.214 ( -0.238 -2.086 12.231) 12.410 2.244 ( 1.820 1.952 7.996) 8.430 2.282 ( 1.202 -2.315 5.467) 6.057 2.407 ( 1.119 0.654 -2.456) 2.777 2.469 ( 0.524 -3.284 -2.288) 4.037 2.624 ( 3.201 -0.894 -1.847) 3.802 2.645 ( 1.594 -2.859 0.160) 3.278 2.804 ( 1.957 3.253 3.492) 5.158 2.924 ( 0.994 -6.725 1.464) 6.954 3.139 ( 6.867 1.828 -0.851) 7.156 3.248 ( 6.211 -7.381 -4.740) 10.749 3.386 ( 0.081 4.386 -3.964) 5.912 3.476 ( -2.392 -4.238 -4.273) 6.476 3.638 ( -1.019 -0.833 -0.492) 1.405 3.653 ( -0.658 -2.258 -0.818) 2.490 3.774 ( 5.782 2.508 -1.726) 6.534 3.851 ( 4.572 -4.803 -2.524) 7.095 4.719 ( -2.513 7.872 -2.076) 8.520 4.785 ( -5.039 2.077 -3.243) 6.342 5.178 ( 0.948 2.911 -4.227) 5.219 5.194 ( 1.375 1.384 -4.494) 4.899 5.456 ( 8.880 5.655 -4.245) 11.351 5.489 ( 5.789 10.659 3.954) 12.758 5.619 ( 5.704 -5.544 -3.957) 8.884 5.779 ( 1.579 -12.448 3.503) 13.027 6.315 ( -2.023 2.667 2.153) 3.980 6.363 ( -3.414 -1.480 2.343) 4.397 6.710 ( -3.952 0.250 5.838) 7.055 6.730 ( -3.861 -1.371 6.407) 7.606 7.734 ( 2.332 2.495 -10.711) 11.242 7.799 ( 0.796 -3.519 -10.696) 11.288 8.721 ( 1.015 8.552 -0.470) 8.625 8.871 ( 0.150 -2.536 1.304) 2.856 8.928 ( -0.522 -0.017 7.405) 7.423 9.020 ( -2.902 -6.334 2.455) 7.386 11.292 ( 1.861 11.840 -7.090) 13.925 11.493 ( -3.387 -3.547 -7.409) 8.885 11.700 ( 0.588 -0.197 -10.233) 10.251 11.800 ( -1.609 -6.307 -9.550) 11.557 13.252 ( 3.823 4.177 7.268) 9.213 13.346 ( 1.897 -4.570 7.263) 8.788 13.649 ( -2.212 2.186 10.166) 10.631 13.690 ( -2.809 -1.748 12.256) 12.695 14.083 ( -0.976 1.003 -7.187) 7.322 14.115 ( -1.612 -1.761 -7.021) 7.416 14.483 ( -0.289 3.106 3.655) 4.805 14.554 ( -2.100 -3.095 6.070) 7.130 14.718 ( 0.420 1.411 7.825) 7.962 14.764 ( -0.934 -2.568 10.119) 10.481 15.058 ( 0.140 1.871 -2.047) 2.777 15.103 ( -0.246 -2.070 0.954) 2.293 15.191 ( 2.060 4.085 -0.696) 4.628 15.225 ( -0.596 3.745 -2.073) 4.322 15.255 ( -1.611 1.511 -3.855) 4.443 15.342 ( 0.097 -1.323 -0.070) 1.328 15.379 ( -0.882 0.195 0.666) 1.122 15.410 ( 1.668 -3.975 1.108) 4.451 15.704 ( -2.013 2.359 -3.177) 4.440 15.826 ( -4.827 -8.997 -0.824) 10.243 16.029 ( -5.576 4.144 -5.102) 8.619 16.164 ( -6.256 -7.253 -3.898) 10.341 16.479 ( -2.306 2.034 9.308) 9.802 16.526 ( -3.344 -2.093 8.271) 9.164 16.703 ( 2.149 3.679 -3.532) 5.534 16.712 ( 2.376 2.837 -0.373) 3.719 16.788 ( 1.955 0.442 1.719) 2.640 16.799 ( 3.585 -0.864 -3.045) 4.782 17.019 ( -3.787 4.362 -4.058) 7.059 17.087 ( -1.629 -2.317 -4.011) 4.911 17.361 ( -2.394 3.741 0.677) 4.493 17.437 ( -3.968 -3.313 1.466) 5.373 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.43 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 3.735 4.765 3.503) 6.995 1.116 ( -2.506 -0.496 3.470) 4.309 1.158 ( 10.272 3.405 -1.462) 10.920 1.235 ( 6.737 -2.754 -0.753) 7.317 1.352 ( -4.990 0.438 -0.558) 5.040 1.368 ( -6.802 -1.392 3.893) 7.960 1.718 ( 3.878 2.697 8.410) 9.646 1.780 ( -1.489 2.630 9.023) 9.515 1.846 ( 1.031 -5.870 5.600) 8.178 1.921 ( -5.052 -7.205 7.140) 11.332 2.021 ( 5.275 0.986 0.521) 5.391 2.087 ( -0.230 -4.711 1.166) 4.859 2.176 ( 1.796 2.454 12.523) 12.887 2.203 ( -0.846 0.662 8.940) 9.004 2.303 ( 3.139 0.705 11.771) 12.203 2.334 ( 2.423 -2.273 11.587) 12.054 2.413 ( -0.014 0.815 -2.561) 2.687 2.450 ( -2.094 -1.739 -3.721) 4.610 2.637 ( 0.642 -1.769 -7.081) 7.327 2.668 ( -0.977 -4.414 -7.955) 9.150 2.866 ( 3.033 -0.472 1.988) 3.657 2.908 ( -1.422 -3.987 2.729) 5.037 3.277 ( 5.319 2.239 -2.021) 6.114 3.324 ( 0.917 -0.997 -3.381) 3.642 3.397 ( 0.873 0.811 -3.169) 3.386 3.425 ( -2.088 -1.699 -3.569) 4.470 3.624 ( -0.148 -2.119 -0.830) 2.281 3.635 ( -0.997 -2.893 -1.266) 3.312 3.883 ( 3.924 0.570 -2.477) 4.675 3.914 ( 1.015 -2.317 -2.817) 3.786 4.683 ( -0.630 5.678 -0.832) 5.773 4.703 ( -2.660 3.956 -1.062) 4.884 5.199 ( 0.933 2.849 -5.107) 5.922 5.209 ( 0.062 1.996 -5.404) 5.761 5.601 ( 4.447 0.787 -6.109) 7.597 5.605 ( 3.892 1.132 -2.082) 4.557 5.729 ( 4.771 0.622 0.297) 4.821 5.794 ( -0.933 -4.140 4.766) 6.382 6.273 ( -1.174 0.645 0.368) 1.389 6.294 ( -2.875 -1.165 0.949) 3.244 6.648 ( -1.543 0.123 4.859) 5.100 6.659 ( -2.483 -0.807 5.189) 5.808 7.778 ( 1.826 0.713 -10.819) 10.995 7.803 ( -0.497 -1.547 -10.808) 10.929 8.762 ( 2.947 3.204 -1.403) 4.574 8.831 ( -3.323 -2.974 -0.732) 4.519 8.937 ( 1.106 0.894 6.153) 6.315 8.969 ( -2.013 -1.910 5.259) 5.946 11.343 ( 3.159 8.370 -7.254) 11.518 11.417 ( -3.881 3.296 -7.402) 8.984 11.724 ( 1.685 -4.111 -9.701) 10.670 11.763 ( -1.954 -5.965 -9.576) 11.450 13.329 ( 3.351 1.913 8.178) 9.042 13.369 ( -0.196 -1.719 8.215) 8.395 13.615 ( -0.601 1.109 9.766) 9.847 13.634 ( -2.261 -0.715 10.575) 10.838 14.069 ( -0.165 -0.420 -6.753) 6.769 14.082 ( -1.370 -1.542 -6.751) 7.059 14.490 ( 0.904 0.373 5.174) 5.266 14.516 ( -1.584 -2.033 5.849) 6.391 14.734 ( 0.987 -0.006 8.189) 8.248 14.750 ( -0.582 -1.444 9.425) 9.553 15.060 ( 0.270 1.674 -2.786) 3.261 15.080 ( -1.552 -0.055 -1.793) 2.372 15.194 ( 0.068 2.965 -1.811) 3.475 15.210 ( -1.337 1.004 -2.242) 2.797 15.289 ( 3.375 4.719 2.066) 6.159 15.330 ( -0.979 0.256 0.208) 1.033 15.381 ( 1.289 1.740 -0.894) 2.343 15.421 ( -1.322 0.772 1.743) 2.320 15.691 ( 0.799 -1.535 -1.921) 2.585 15.736 ( -3.579 -5.858 -1.285) 6.985 15.971 ( 0.532 -3.177 -5.638) 6.493 16.040 ( -5.399 -8.063 -4.823) 10.836 16.447 ( -0.596 1.125 10.091) 10.171 16.463 ( -2.216 -0.252 9.722) 9.975 16.757 ( 2.244 3.171 -1.066) 4.028 16.763 ( 1.843 2.486 0.330) 3.112 16.824 ( 2.513 3.701 -0.593) 4.513 16.893 ( 5.490 -2.365 -4.473) 7.466 16.916 ( -5.612 5.714 -4.741) 9.307 17.012 ( -5.457 -3.213 -6.252) 8.899 17.340 ( 0.364 1.678 3.438) 3.842 17.370 ( -2.440 -1.135 3.248) 4.218 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 0.000 12.470) 12.470 0.662 ( 0.000 0.000 20.090) 20.090 1.355 ( 0.000 0.000 4.162) 4.162 1.521 ( 0.000 0.000 20.648) 20.648 1.541 ( 0.000 0.000 8.312) 8.312 1.564 ( 0.000 0.000 29.796) 29.796 1.598 ( 0.000 0.000 -4.528) 4.528 1.676 ( 0.000 0.000 -1.489) 1.489 1.812 ( 0.000 0.000 -6.344) 6.344 1.827 ( 0.000 0.000 0.921) 0.921 1.830 ( 0.000 0.000 -8.877) 8.877 1.840 ( 0.000 0.000 1.393) 1.393 2.203 ( 0.000 0.000 -1.976) 1.976 2.213 ( 0.000 0.000 -2.622) 2.622 2.461 ( 0.000 0.000 2.595) 2.595 2.479 ( 0.000 0.000 3.211) 3.211 2.532 ( 0.000 0.000 -1.428) 1.428 2.540 ( 0.000 0.000 0.625) 0.625 2.711 ( 0.000 0.000 13.177) 13.177 2.876 ( 0.000 0.000 3.378) 3.378 2.964 ( 0.000 0.000 -14.050) 14.050 2.974 ( 0.000 0.000 8.826) 8.826 3.168 ( 0.000 0.000 15.476) 15.476 3.337 ( 0.000 0.000 18.019) 18.019 3.350 ( 0.000 0.000 -2.789) 2.789 3.490 ( 0.000 0.000 -0.081) 0.081 3.502 ( 0.000 0.000 9.793) 9.793 3.762 ( 0.000 0.000 -12.210) 12.210 3.766 ( 0.000 0.000 -7.524) 7.524 3.917 ( 0.000 0.000 -2.812) 2.812 4.294 ( 0.000 0.000 0.403) 0.403 4.531 ( 0.000 0.000 -0.024) 0.024 4.911 ( 0.000 0.000 -6.440) 6.440 4.972 ( 0.000 0.000 -9.076) 9.076 4.988 ( 0.000 0.000 4.692) 4.692 5.190 ( 0.000 0.000 20.021) 20.021 5.616 ( 0.000 0.000 -8.946) 8.946 6.287 ( 0.000 0.000 5.717) 5.717 6.314 ( 0.000 0.000 4.998) 4.998 6.555 ( 0.000 0.000 -0.018) 0.018 6.951 ( 0.000 0.000 0.838) 0.838 7.012 ( 0.000 0.000 12.204) 12.204 7.322 ( 0.000 0.000 -15.081) 15.081 7.579 ( 0.000 0.000 -23.410) 23.410 8.444 ( 0.000 0.000 5.794) 5.794 8.843 ( 0.000 0.000 17.319) 17.319 9.294 ( 0.000 0.000 14.043) 14.043 9.387 ( 0.000 0.000 -0.587) 0.587 10.696 ( 0.000 0.000 -11.240) 11.240 11.210 ( 0.000 0.000 -15.427) 15.427 11.752 ( 0.000 0.000 -11.312) 11.312 11.759 ( 0.000 0.000 -8.809) 8.809 13.169 ( 0.000 0.000 10.100) 10.100 13.695 ( 0.000 0.000 13.465) 13.465 13.769 ( 0.000 0.000 8.429) 8.429 13.974 ( 0.000 0.000 -0.577) 0.577 14.045 ( 0.000 0.000 2.660) 2.660 14.183 ( 0.000 0.000 10.022) 10.022 14.333 ( 0.000 0.000 -3.386) 3.386 14.584 ( 0.000 0.000 -14.005) 14.005 14.875 ( 0.000 0.000 16.416) 16.416 14.944 ( 0.000 0.000 6.207) 6.207 15.032 ( 0.000 0.000 -7.416) 7.416 15.112 ( 0.000 0.000 -2.152) 2.152 15.149 ( 0.000 0.000 -3.562) 3.562 15.227 ( 0.000 0.000 -9.505) 9.505 15.285 ( 0.000 0.000 -15.945) 15.945 15.338 ( 0.000 0.000 -2.216) 2.216 15.545 ( 0.000 0.000 7.621) 7.621 15.671 ( 0.000 0.000 5.882) 5.882 15.688 ( 0.000 0.000 5.996) 5.996 15.811 ( 0.000 0.000 -14.350) 14.350 16.104 ( 0.000 0.000 3.171) 3.171 16.260 ( 0.000 0.000 -1.917) 1.917 16.290 ( 0.000 0.000 -6.808) 6.808 16.688 ( 0.000 0.000 2.670) 2.670 16.692 ( 0.000 0.000 6.262) 6.262 16.741 ( 0.000 0.000 1.138) 1.138 16.861 ( 0.000 0.000 4.951) 4.951 16.864 ( 0.000 0.000 8.548) 8.548 16.946 ( 0.000 0.000 0.395) 0.395 16.956 ( 0.000 0.000 -16.755) 16.755 17.306 ( 0.000 0.000 8.544) 8.544 17.680 ( 0.000 0.000 1.178) 1.178 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 6.655 0.000 10.623) 12.535 0.648 ( 0.295 0.000 18.057) 18.060 1.324 ( -1.826 0.000 7.338) 7.562 1.490 ( -7.656 0.000 -1.952) 7.901 1.546 ( -0.321 0.000 19.591) 19.593 1.615 ( 5.433 0.000 3.827) 6.645 1.643 ( 5.790 0.000 15.710) 16.743 1.709 ( 4.944 0.000 3.728) 6.192 1.811 ( -1.192 0.000 -5.201) 5.336 1.838 ( 2.959 0.000 -0.215) 2.966 1.903 ( 5.562 0.000 -8.784) 10.397 1.905 ( 5.859 0.000 3.802) 6.985 2.216 ( 1.112 0.000 -2.910) 3.115 2.236 ( 1.968 0.000 -3.805) 4.284 2.477 ( -0.395 0.000 3.094) 3.120 2.482 ( 3.861 0.000 4.490) 5.922 2.545 ( 1.575 0.000 -1.678) 2.302 2.634 ( 5.203 0.000 5.630) 7.666 2.691 ( -2.151 0.000 13.156) 13.330 2.878 ( 0.377 0.000 5.852) 5.864 2.953 ( -1.109 0.000 -12.754) 12.802 3.005 ( 2.852 0.000 10.122) 10.516 3.226 ( -4.940 0.000 8.499) 9.830 3.264 ( 7.575 0.000 3.691) 8.426 3.478 ( -0.843 0.000 1.770) 1.961 3.491 ( 7.488 0.000 1.827) 7.708 3.496 ( -0.735 0.000 8.665) 8.696 3.717 ( -2.355 0.000 -6.329) 6.753 3.821 ( 3.305 0.000 -11.156) 11.635 3.882 ( -3.159 0.000 -3.081) 4.413 4.307 ( 1.134 0.000 0.678) 1.321 4.519 ( -1.212 0.000 0.180) 1.225 4.908 ( -0.164 0.000 -6.544) 6.546 4.959 ( -0.485 0.000 -7.297) 7.313 5.053 ( 5.469 0.000 -0.599) 5.501 5.261 ( 6.693 0.000 19.299) 20.426 5.613 ( -0.390 0.000 -10.655) 10.662 6.278 ( -0.698 0.000 4.585) 4.638 6.308 ( -0.637 0.000 5.065) 5.105 6.484 ( -6.604 0.000 0.335) 6.612 6.901 ( -4.447 0.000 0.271) 4.456 6.986 ( -2.436 0.000 8.624) 8.961 7.347 ( 2.215 0.000 -13.990) 14.164 7.586 ( 0.477 0.000 -22.821) 22.826 8.459 ( 1.900 0.000 5.826) 6.128 8.903 ( 4.850 0.000 14.452) 15.244 9.270 ( -2.605 0.000 12.829) 13.091 9.329 ( -5.264 0.000 0.632) 5.301 10.718 ( 2.214 0.000 -11.232) 11.448 11.196 ( -1.576 0.000 -15.041) 15.124 11.737 ( -1.827 0.000 -9.392) 9.568 11.749 ( -0.324 0.000 -11.503) 11.508 13.213 ( 4.069 0.000 10.309) 11.083 13.705 ( 0.956 0.000 13.016) 13.051 13.747 ( -2.115 0.000 8.586) 8.843 13.988 ( 1.302 0.000 -0.124) 1.308 14.063 ( 1.459 0.000 3.039) 3.371 14.154 ( -3.041 0.000 11.196) 11.602 14.335 ( 0.510 0.000 -3.653) 3.688 14.592 ( 0.676 0.000 -12.538) 12.556 14.857 ( -1.181 0.000 9.648) 9.720 14.955 ( 0.570 0.000 4.046) 4.086 14.994 ( -5.839 0.000 0.172) 5.841 15.038 ( 0.316 0.000 -0.376) 0.491 15.143 ( -4.231 0.000 -13.342) 13.997 15.221 ( -0.807 0.000 -8.471) 8.509 15.271 ( 1.266 0.000 -4.494) 4.669 15.452 ( 5.879 0.000 -1.878) 6.171 15.472 ( -6.622 0.000 4.149) 7.814 15.557 ( -7.392 0.000 10.142) 12.550 15.586 ( -4.585 0.000 1.377) 4.787 15.921 ( 7.066 0.000 -8.649) 11.168 16.152 ( 3.909 0.000 3.188) 5.045 16.309 ( 1.721 0.000 -7.647) 7.839 16.328 ( 4.151 0.000 -4.708) 6.277 16.633 ( -6.988 0.000 3.007) 7.608 16.693 ( 0.092 0.000 5.441) 5.441 16.736 ( -6.554 0.000 0.609) 6.583 16.746 ( 0.407 0.000 1.532) 1.585 16.840 ( -2.165 0.000 8.644) 8.911 16.910 ( -2.429 0.000 1.565) 2.889 17.010 ( 1.044 0.000 -11.016) 11.065 17.315 ( 0.880 0.000 8.427) 8.473 17.648 ( -2.990 0.000 1.691) 3.435 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 7.745 0.000 11.564) 13.919 0.807 ( 9.468 0.000 7.366) 11.996 1.274 ( -3.617 0.000 4.944) 6.126 1.324 ( -8.364 0.000 0.748) 8.397 1.567 ( 2.552 0.000 12.076) 12.343 1.671 ( -0.139 0.000 8.984) 8.985 1.702 ( 2.153 0.000 0.433) 2.196 1.774 ( -2.314 0.000 -2.289) 3.254 1.867 ( 7.813 0.000 2.856) 8.318 1.965 ( 7.954 0.000 0.702) 7.985 2.001 ( 3.906 0.000 -7.044) 8.054 2.089 ( 11.312 0.000 8.226) 13.987 2.242 ( 1.550 0.000 -4.610) 4.863 2.257 ( -0.862 0.000 -6.916) 6.970 2.450 ( -2.435 0.000 2.377) 3.403 2.589 ( -0.840 0.000 1.681) 1.879 2.603 ( 7.315 0.000 5.895) 9.395 2.648 ( 1.551 0.000 8.552) 8.691 2.714 ( 3.145 0.000 12.474) 12.864 2.885 ( -0.298 0.000 12.148) 12.152 2.921 ( -1.940 0.000 -8.947) 9.155 3.062 ( 0.458 0.000 13.095) 13.103 3.160 ( 0.435 0.000 2.352) 2.392 3.390 ( 3.616 0.000 -4.744) 5.965 3.441 ( -2.268 0.000 3.025) 3.781 3.463 ( -2.752 0.000 5.050) 5.751 3.657 ( 8.247 0.000 -1.589) 8.399 3.680 ( -0.694 0.000 -1.793) 1.922 3.808 ( -3.613 0.000 -4.108) 5.471 3.886 ( 2.425 0.000 -10.308) 10.590 4.337 ( 1.854 0.000 1.201) 2.209 4.483 ( -2.189 0.000 0.660) 2.287 4.909 ( 0.285 0.000 -7.014) 7.020 4.949 ( -0.537 0.000 -8.185) 8.203 5.199 ( 8.325 0.000 -7.653) 11.309 5.448 ( 11.075 0.000 17.042) 20.325 5.593 ( -1.774 0.000 -15.031) 15.135 6.240 ( -9.063 0.000 6.541) 11.177 6.270 ( 0.271 0.000 2.051) 2.069 6.349 ( -3.190 0.000 -1.463) 3.509 6.801 ( -4.420 0.000 0.439) 4.442 6.915 ( -4.554 0.000 5.525) 7.160 7.405 ( 3.355 0.000 -15.061) 15.430 7.585 ( -0.852 0.000 -21.848) 21.864 8.537 ( 5.916 0.000 4.825) 7.634 9.004 ( 4.652 0.000 11.897) 12.775 9.141 ( -9.831 0.000 2.390) 10.117 9.236 ( -3.480 0.000 11.264) 11.790 10.787 ( 4.486 0.000 -11.361) 12.215 11.138 ( -4.168 0.000 -13.979) 14.587 11.703 ( -1.135 0.000 -10.740) 10.800 11.738 ( -0.822 0.000 -11.921) 11.949 13.323 ( 6.430 0.000 10.658) 12.447 13.684 ( -4.029 0.000 9.006) 9.866 13.735 ( 2.082 0.000 12.066) 12.244 14.021 ( 1.726 0.000 0.975) 1.983 14.045 ( -5.850 0.000 14.708) 15.828 14.099 ( 0.138 0.000 1.315) 1.322 14.369 ( 3.060 0.000 -4.324) 5.297 14.599 ( -0.491 0.000 -9.483) 9.496 14.840 ( -0.555 0.000 1.204) 1.326 14.876 ( -4.105 0.000 -3.047) 5.112 15.002 ( 2.710 0.000 7.543) 8.015 15.043 ( 0.582 0.000 8.470) 8.490 15.067 ( -2.057 0.000 -13.001) 13.162 15.185 ( -2.691 0.000 -4.313) 5.083 15.272 ( -1.593 0.000 -5.844) 6.057 15.339 ( -5.809 0.000 -2.179) 6.204 15.399 ( -5.680 0.000 5.338) 7.795 15.425 ( -5.302 0.000 8.819) 10.290 15.697 ( 10.440 0.000 0.872) 10.476 16.063 ( 6.687 0.000 -6.127) 9.069 16.235 ( 3.324 0.000 1.919) 3.838 16.350 ( 1.938 0.000 -8.211) 8.437 16.371 ( -1.465 0.000 -4.790) 5.009 16.424 ( -9.650 0.000 3.118) 10.141 16.645 ( -3.444 0.000 0.665) 3.508 16.691 ( -0.502 0.000 2.518) 2.567 16.759 ( 0.903 0.000 3.024) 3.156 16.789 ( -2.117 0.000 8.092) 8.364 16.854 ( -2.716 0.000 5.517) 6.150 16.986 ( -3.164 0.000 -10.119) 10.602 17.345 ( 2.105 0.000 7.807) 8.085 17.569 ( -4.494 0.000 3.113) 5.467 ======================= Grid point 73 (28/60) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 10.774 0.000 5.940) 12.303 1.001 ( 8.989 0.000 4.743) 10.163 1.143 ( -9.508 0.000 2.761) 9.901 1.168 ( -6.759 0.000 3.106) 7.438 1.636 ( 3.630 0.000 7.231) 8.091 1.681 ( 1.429 0.000 5.895) 6.066 1.698 ( -2.157 0.000 3.047) 3.733 1.724 ( -2.390 0.000 1.163) 2.658 2.028 ( 7.458 0.000 0.712) 7.492 2.064 ( 2.135 0.000 -4.051) 4.579 2.085 ( 2.944 0.000 -4.513) 5.388 2.188 ( -5.732 0.000 -6.688) 8.808 2.274 ( 5.344 0.000 2.034) 5.718 2.337 ( 8.868 0.000 4.385) 9.893 2.378 ( -4.569 0.000 1.455) 4.795 2.496 ( -6.304 0.000 8.906) 10.911 2.735 ( 3.920 0.000 -6.004) 7.170 2.739 ( 4.209 0.000 6.391) 7.652 2.790 ( 4.298 0.000 10.062) 10.941 2.849 ( -2.884 0.000 20.667) 20.867 2.890 ( 0.419 0.000 0.070) 0.425 2.989 ( -6.088 0.000 5.815) 8.419 3.250 ( 6.178 0.000 2.268) 6.582 3.374 ( -5.398 0.000 -0.948) 5.481 3.409 ( -0.386 0.000 4.945) 4.960 3.417 ( -0.546 0.000 3.144) 3.191 3.696 ( 1.887 0.000 -1.618) 2.486 3.743 ( -2.520 0.000 -3.501) 4.314 3.812 ( 6.168 0.000 -5.739) 8.425 3.896 ( -1.751 0.000 -8.170) 8.355 4.382 ( 2.443 0.000 1.309) 2.772 4.434 ( -2.555 0.000 1.091) 2.778 4.920 ( 0.710 0.000 -7.714) 7.747 4.935 ( -0.778 0.000 -8.242) 8.279 5.371 ( 8.117 0.000 -13.888) 16.086 5.512 ( -5.253 0.000 -14.250) 15.187 5.711 ( 13.242 0.000 8.620) 15.800 5.990 ( -13.670 0.000 6.147) 14.989 6.294 ( 1.699 0.000 -0.205) 1.712 6.322 ( -0.928 0.000 -0.929) 1.314 6.753 ( 0.234 0.000 2.738) 2.748 6.812 ( -4.866 0.000 4.782) 6.823 7.479 ( 3.729 0.000 -18.150) 18.529 7.547 ( -2.765 0.000 -20.533) 20.718 8.698 ( 9.651 0.000 3.413) 10.236 8.917 ( -11.402 0.000 2.185) 11.610 9.090 ( 3.824 0.000 11.694) 12.303 9.165 ( -3.590 0.000 12.046) 12.570 10.898 ( 6.205 0.000 -11.841) 13.368 11.029 ( -6.276 0.000 -12.749) 14.210 11.698 ( 0.540 0.000 -11.872) 11.884 11.717 ( -1.132 0.000 -12.196) 12.248 13.460 ( 6.662 0.000 10.575) 12.498 13.586 ( -5.515 0.000 9.786) 11.233 13.797 ( 4.217 0.000 11.929) 12.653 13.909 ( -6.538 0.000 13.425) 14.933 14.057 ( 1.824 0.000 1.995) 2.703 14.090 ( -1.204 0.000 2.087) 2.409 14.456 ( 5.056 0.000 -5.696) 7.616 14.554 ( -3.932 0.000 -7.367) 8.351 14.825 ( -0.958 0.000 -2.071) 2.282 14.827 ( -0.715 0.000 -1.420) 1.590 15.052 ( 2.250 0.000 0.508) 2.306 15.080 ( 2.463 0.000 3.910) 4.621 15.096 ( 4.475 0.000 -3.578) 5.729 15.125 ( -2.301 0.000 4.495) 5.050 15.193 ( -5.229 0.000 1.897) 5.562 15.216 ( -6.167 0.000 -3.365) 7.025 15.337 ( -0.494 0.000 0.940) 1.062 15.353 ( -1.938 0.000 1.652) 2.547 15.923 ( 11.457 0.000 3.095) 11.868 16.159 ( -11.501 0.000 4.337) 12.291 16.189 ( 5.439 0.000 -3.908) 6.697 16.266 ( -1.733 0.000 -2.556) 3.088 16.377 ( 0.674 0.000 -6.205) 6.242 16.387 ( -0.370 0.000 -3.954) 3.972 16.608 ( 0.500 0.000 2.104) 2.162 16.654 ( -2.980 0.000 2.256) 3.738 16.774 ( 1.060 0.000 11.230) 11.280 16.804 ( 3.380 0.000 -4.939) 5.985 16.806 ( -1.967 0.000 8.601) 8.823 16.897 ( -5.049 0.000 -8.450) 9.844 17.400 ( 3.278 0.000 6.577) 7.348 17.477 ( -4.246 0.000 4.941) 6.515 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.000 9.789 10.686) 14.492 0.776 ( 0.000 9.534 16.400) 18.970 1.375 ( 0.000 -0.257 5.543) 5.549 1.431 ( 0.000 -5.247 15.895) 16.738 1.456 ( 0.000 -1.855 10.797) 10.956 1.567 ( 0.000 0.995 8.455) 8.514 1.693 ( 0.000 1.349 -1.209) 1.811 1.702 ( 0.000 0.682 -2.465) 2.557 1.757 ( 0.000 -3.357 -4.397) 5.532 1.768 ( 0.000 -1.773 -0.784) 1.939 1.900 ( 0.000 4.733 2.376) 5.296 1.921 ( 0.000 3.922 5.738) 6.950 2.209 ( 0.000 -0.340 -1.808) 1.840 2.211 ( 0.000 0.203 -0.585) 0.619 2.341 ( 0.000 -5.891 0.665) 5.928 2.384 ( 0.000 -6.655 1.242) 6.770 2.568 ( 0.000 1.998 0.329) 2.025 2.617 ( 0.000 3.491 -0.118) 3.493 2.701 ( 0.000 -0.612 13.146) 13.161 2.826 ( 0.000 -5.290 -2.129) 5.703 2.840 ( 0.000 -3.319 3.232) 4.633 3.058 ( 0.000 -8.924 9.953) 13.368 3.109 ( 0.000 3.381 -4.010) 5.245 3.230 ( 0.000 -9.169 11.914) 15.033 3.302 ( 0.000 -1.269 18.057) 18.101 3.416 ( 0.000 0.924 4.895) 4.982 3.628 ( 0.000 3.900 -0.769) 3.975 3.672 ( 0.000 -6.840 -7.945) 10.483 3.727 ( 0.000 -2.814 -7.608) 8.112 3.796 ( 0.000 -7.229 -0.989) 7.296 4.475 ( 0.000 12.317 -2.137) 12.501 4.676 ( 0.000 9.355 -4.050) 10.194 4.977 ( 0.000 5.152 -6.433) 8.242 5.022 ( 0.000 3.892 -8.145) 9.027 5.050 ( 0.000 5.520 3.076) 6.320 5.271 ( 0.000 7.297 15.188) 16.850 5.562 ( 0.000 -4.763 -5.811) 7.513 6.141 ( 0.000 -12.069 6.193) 13.566 6.343 ( 0.000 2.570 3.880) 4.654 6.545 ( 0.000 -1.511 -0.166) 1.520 6.978 ( 0.000 1.916 3.026) 3.582 7.014 ( 0.000 0.156 11.943) 11.944 7.339 ( 0.000 1.534 -15.340) 15.416 7.542 ( 0.000 -3.158 -22.022) 22.247 8.534 ( 0.000 7.982 4.127) 8.986 8.872 ( 0.000 2.251 14.043) 14.222 9.265 ( 0.000 -2.522 14.611) 14.827 9.329 ( 0.000 -5.128 2.254) 5.602 10.808 ( 0.000 9.991 -11.033) 14.884 11.278 ( 0.000 5.842 -16.002) 17.035 11.626 ( 0.000 -9.156 -10.801) 14.160 11.744 ( 0.000 -3.798 -10.232) 10.915 13.213 ( 0.000 3.940 10.179) 10.915 13.596 ( 0.000 -6.177 11.144) 12.742 13.856 ( 0.000 5.036 11.744) 12.778 13.990 ( 0.000 1.349 -0.227) 1.368 14.066 ( 0.000 1.445 1.675) 2.212 14.141 ( 0.000 -3.367 12.474) 12.921 14.357 ( 0.000 2.539 -3.373) 4.222 14.581 ( 0.000 -0.651 -13.189) 13.205 14.903 ( 0.000 2.608 14.568) 14.800 14.967 ( 0.000 2.195 6.454) 6.817 15.057 ( 0.000 1.543 -8.786) 8.920 15.097 ( 0.000 -1.238 -2.148) 2.479 15.126 ( 0.000 -1.254 0.522) 1.359 15.168 ( 0.000 -3.329 -10.681) 11.188 15.284 ( 0.000 -3.883 -4.152) 5.685 15.291 ( 0.000 -1.202 -11.573) 11.635 15.490 ( 0.000 -5.566 5.909) 8.118 15.530 ( 0.000 -10.988 5.959) 12.500 15.657 ( 0.000 3.185 -1.183) 3.397 15.966 ( 0.000 10.069 -6.511) 11.991 16.144 ( 0.000 -5.428 -0.996) 5.518 16.240 ( 0.000 2.631 0.789) 2.747 16.361 ( 0.000 7.547 -4.020) 8.551 16.682 ( 0.000 -0.865 1.112) 1.408 16.694 ( 0.000 0.115 5.008) 5.009 16.714 ( 0.000 -2.659 -0.961) 2.827 16.828 ( 0.000 -2.007 6.618) 6.916 16.850 ( 0.000 -1.131 5.164) 5.286 16.960 ( 0.000 1.243 -1.404) 1.875 16.980 ( 0.000 1.221 -9.933) 10.007 17.347 ( 0.000 3.588 6.191) 7.156 17.645 ( 0.000 -3.200 1.410) 3.497 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 1.766 7.491 11.938) 14.204 0.837 ( 4.280 11.610 12.061) 17.280 1.297 ( -2.909 -2.316 7.911) 8.741 1.391 ( -3.365 -4.771 7.157) 9.237 1.574 ( -2.716 -2.006 7.934) 8.623 1.631 ( 6.951 0.089 3.538) 7.800 1.647 ( 4.832 1.686 10.807) 11.957 1.720 ( 1.341 0.654 -0.381) 1.540 1.767 ( 2.346 -2.209 -1.405) 3.516 1.849 ( 4.311 -1.558 -6.223) 7.729 1.918 ( 2.436 3.410 -0.601) 4.234 1.960 ( 3.707 3.182 6.299) 7.971 2.196 ( -0.396 -0.181 -1.725) 1.779 2.262 ( 3.348 0.230 -2.377) 4.113 2.364 ( 2.290 -6.494 0.577) 6.910 2.417 ( 1.988 -6.276 0.925) 6.648 2.562 ( -0.017 1.125 4.301) 4.445 2.657 ( 0.984 0.068 5.413) 5.502 2.694 ( 0.916 1.246 8.162) 8.307 2.825 ( 0.003 -4.241 -0.201) 4.245 2.856 ( 1.566 -2.998 5.491) 6.449 3.126 ( 2.590 -2.920 4.315) 5.818 3.138 ( 4.414 -3.114 0.488) 5.424 3.192 ( -1.464 -3.016 5.521) 6.459 3.311 ( 0.753 -5.693 18.584) 19.451 3.487 ( 5.373 -0.841 1.837) 5.740 3.602 ( -2.512 2.944 -2.529) 4.624 3.656 ( -0.503 -5.284 -4.733) 7.111 3.741 ( -0.031 -3.582 -4.526) 5.772 3.799 ( 1.170 -5.748 -5.230) 7.859 4.474 ( 0.014 11.745 -1.482) 11.838 4.654 ( -1.993 8.984 -2.943) 9.661 4.974 ( -0.187 5.108 -6.548) 8.307 5.010 ( -0.458 4.033 -6.646) 7.788 5.109 ( 4.810 4.923 -1.872) 7.133 5.337 ( 6.240 6.786 15.308) 17.870 5.561 ( -0.135 -4.579 -7.904) 9.135 6.128 ( -1.176 -11.497 5.500) 12.799 6.339 ( -0.407 2.362 3.590) 4.317 6.503 ( -4.087 0.049 0.498) 4.118 6.910 ( -5.611 0.990 2.690) 6.301 6.987 ( -2.880 -0.173 8.440) 8.919 7.360 ( 1.886 1.263 -14.928) 15.100 7.551 ( 0.589 -3.059 -21.793) 22.014 8.541 ( 1.082 7.329 4.526) 8.681 8.918 ( 3.738 1.044 11.909) 12.525 9.242 ( -2.874 -2.621 12.335) 12.933 9.284 ( -3.693 -3.795 4.596) 7.012 10.825 ( 1.748 9.562 -11.096) 14.752 11.260 ( -1.846 5.598 -15.341) 16.434 11.619 ( -0.545 -8.712 -10.955) 14.008 11.731 ( -1.143 -3.765 -10.813) 11.507 13.253 ( 3.758 3.636 10.402) 11.642 13.605 ( 0.725 -5.748 10.831) 12.283 13.839 ( -1.536 4.952 11.724) 12.819 13.995 ( 0.503 0.853 0.077) 0.993 14.072 ( 0.218 -0.099 4.084) 4.091 14.120 ( -2.030 -2.558 11.155) 11.623 14.359 ( 0.425 2.619 -3.670) 4.528 14.580 ( -0.079 -1.225 -11.658) 11.723 14.886 ( -0.965 2.661 10.635) 11.005 14.988 ( -0.738 2.181 -0.093) 2.305 15.006 ( -1.366 1.796 4.391) 4.937 15.067 ( -0.143 2.160 -4.362) 4.870 15.121 ( -3.137 -1.034 -11.050) 11.533 15.211 ( 2.152 -1.975 -5.642) 6.353 15.245 ( -0.614 -1.659 -4.826) 5.140 15.300 ( -2.355 -8.959 3.413) 9.872 15.445 ( -1.271 -3.411 1.732) 4.031 15.563 ( -2.539 1.692 1.240) 3.294 15.626 ( 1.159 -3.023 5.307) 6.216 15.904 ( -2.990 4.749 -8.170) 9.912 16.137 ( -1.067 -8.507 -1.259) 8.665 16.270 ( 1.056 1.348 -0.021) 1.712 16.402 ( 2.995 5.702 -5.287) 8.333 16.639 ( -2.432 1.018 0.205) 2.645 16.668 ( -3.624 -2.294 -2.311) 4.872 16.727 ( 1.199 0.868 6.600) 6.764 16.795 ( -2.131 1.045 4.535) 5.118 16.840 ( -0.875 -0.330 7.618) 7.676 16.926 ( -2.260 1.964 -1.675) 3.431 17.008 ( 0.715 -0.206 -8.482) 8.514 17.350 ( 0.458 3.152 6.480) 7.221 17.617 ( -2.621 -2.872 1.934) 4.343 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 8.399 6.035 7.608) 12.840 0.939 ( 5.876 9.449 8.555) 14.036 1.253 ( -2.189 -1.543 5.277) 5.917 1.297 ( -5.735 -2.015 2.875) 6.724 1.530 ( -0.168 -3.151 8.319) 8.897 1.646 ( -2.596 -3.456 4.721) 6.400 1.737 ( 3.729 2.483 5.203) 6.866 1.797 ( 1.007 2.592 0.208) 2.788 1.867 ( 6.412 0.360 1.422) 6.578 1.954 ( 6.638 -1.179 -2.246) 7.106 2.003 ( 5.215 0.054 -5.271) 7.415 2.086 ( 8.513 -0.909 7.855) 11.619 2.181 ( -1.109 -1.047 -2.737) 3.133 2.303 ( -0.017 -0.494 -4.082) 4.112 2.410 ( 0.129 -3.983 -1.374) 4.215 2.453 ( 2.297 -7.705 -0.634) 8.065 2.586 ( 1.987 -2.745 7.652) 8.368 2.618 ( -1.854 -2.396 9.295) 9.776 2.762 ( 4.080 1.989 1.618) 4.819 2.827 ( 0.291 -2.084 8.513) 8.769 2.893 ( 1.242 -0.654 12.835) 12.912 3.100 ( -3.764 -2.429 10.521) 11.435 3.192 ( 3.280 4.742 0.560) 5.793 3.264 ( 3.379 -7.694 -5.629) 10.114 3.338 ( 2.020 -5.719 13.182) 14.510 3.503 ( -4.402 -2.507 -0.928) 5.151 3.611 ( 2.905 -0.793 -3.445) 4.576 3.683 ( 3.309 -3.002 -3.339) 5.577 3.717 ( -0.812 -2.446 -2.146) 3.354 3.844 ( 2.285 -3.928 -8.738) 9.849 4.480 ( 0.730 10.471 -0.308) 10.501 4.602 ( -2.882 8.355 -0.844) 8.878 4.974 ( 0.205 5.078 -6.825) 8.509 5.003 ( -0.315 4.246 -7.576) 8.691 5.233 ( 7.076 3.173 -8.201) 11.287 5.510 ( 9.512 5.445 16.042) 19.429 5.553 ( -0.211 -3.619 -14.497) 14.943 6.092 ( -2.841 -9.182 4.713) 10.705 6.320 ( -1.720 1.912 3.599) 4.424 6.395 ( -5.299 2.328 0.029) 5.788 6.792 ( -5.006 -0.375 1.113) 5.142 6.901 ( -5.297 -1.420 5.639) 7.866 7.408 ( 2.784 0.463 -16.486) 16.726 7.554 ( -0.553 -2.704 -21.493) 21.669 8.594 ( 4.384 5.207 4.332) 8.069 8.990 ( 2.191 -1.887 7.947) 8.457 9.125 ( -6.862 -0.803 6.905) 9.768 9.222 ( -2.754 -1.357 12.007) 12.394 10.881 ( 3.692 8.393 -11.304) 14.555 11.198 ( -4.250 5.232 -13.881) 15.431 11.614 ( 0.212 -7.300 -11.626) 13.729 11.702 ( -1.613 -4.095 -11.814) 12.607 13.356 ( 5.942 2.877 10.785) 12.645 13.616 ( -0.076 -4.092 10.033) 10.836 13.804 ( -1.309 4.177 11.989) 12.763 14.000 ( -1.357 -1.084 4.839) 5.141 14.038 ( -2.754 -1.237 11.428) 11.820 14.087 ( -0.769 -1.264 0.947) 1.757 14.388 ( 2.604 2.137 -4.138) 5.336 14.574 ( -0.654 -1.861 -7.940) 8.181 14.880 ( 0.332 3.106 5.818) 6.604 14.923 ( -2.750 3.859 -3.463) 5.869 15.045 ( 0.257 0.512 -9.750) 9.767 15.060 ( -1.772 2.601 1.593) 3.527 15.073 ( 2.642 2.415 7.605) 8.405 15.190 ( -4.674 -5.799 1.436) 7.585 15.203 ( -1.937 1.212 -8.466) 8.769 15.288 ( 0.825 -3.672 3.199) 4.939 15.366 ( -4.390 0.709 -0.646) 4.493 15.554 ( -4.502 3.118 7.594) 9.362 15.638 ( 4.762 -1.353 -1.298) 5.118 15.927 ( 4.844 -8.407 -7.008) 11.969 16.081 ( -4.803 -12.930 -0.292) 13.796 16.254 ( -2.580 -4.730 -1.058) 5.490 16.447 ( 1.367 5.186 -5.813) 7.909 16.569 ( -3.541 5.241 -4.555) 7.795 16.638 ( 0.499 2.633 0.728) 2.777 16.736 ( -0.467 1.058 4.000) 4.164 16.766 ( -0.119 0.636 9.322) 9.344 16.815 ( -1.694 2.278 4.510) 5.329 16.879 ( -1.890 2.332 1.545) 3.376 16.987 ( -2.705 0.012 -8.164) 8.600 17.369 ( 1.475 2.163 6.788) 7.275 17.548 ( -3.802 -1.892 3.353) 5.410 ======================= Grid point 80 (32/60) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 9.993 4.171 3.530) 11.390 1.070 ( 6.490 5.539 5.900) 10.374 1.157 ( -8.011 1.356 2.055) 8.381 1.186 ( -4.577 1.808 4.230) 6.490 1.553 ( 1.810 -5.518 6.972) 9.074 1.594 ( -2.278 -5.103 6.012) 8.208 1.782 ( 0.856 4.001 3.237) 5.217 1.791 ( -0.444 4.477 2.744) 5.270 2.002 ( 5.923 -1.436 -0.644) 6.129 2.043 ( 2.282 -1.621 -2.578) 3.806 2.101 ( 2.285 0.217 -3.536) 4.216 2.140 ( -2.278 -3.126 -4.570) 5.987 2.261 ( 5.570 -2.130 6.349) 8.710 2.308 ( 3.067 -3.203 1.133) 4.577 2.366 ( -2.839 -0.658 -1.598) 3.323 2.436 ( -4.518 -5.062 4.680) 8.243 2.618 ( 2.440 -6.769 -2.920) 7.765 2.639 ( 0.861 -7.736 -2.546) 8.189 2.840 ( 1.803 2.356 21.191) 21.398 2.860 ( 3.910 0.426 11.491) 12.145 2.889 ( -0.103 1.283 14.507) 14.564 2.999 ( -6.182 -0.847 4.071) 7.450 3.267 ( 3.563 1.218 1.025) 3.902 3.302 ( 0.556 -4.104 1.725) 4.487 3.372 ( 0.992 -3.332 2.905) 4.530 3.412 ( -3.683 -1.309 0.269) 3.918 3.648 ( 1.291 -3.166 -1.877) 3.901 3.674 ( -1.367 -4.396 -2.846) 5.413 3.802 ( 4.851 -0.845 -6.137) 7.868 3.863 ( -0.869 -2.704 -8.276) 8.750 4.504 ( 1.611 9.087 0.551) 9.245 4.546 ( -2.466 8.253 0.502) 8.628 4.982 ( 0.574 4.979 -7.314) 8.867 4.994 ( -0.550 4.683 -7.757) 9.078 5.382 ( 6.937 0.933 -13.795) 15.469 5.497 ( -4.060 -1.428 -14.054) 14.698 5.746 ( 11.695 3.064 8.929) 15.030 5.970 ( -9.418 -1.817 6.461) 11.565 6.293 ( 0.436 0.024 1.572) 1.631 6.326 ( -2.192 0.209 -0.491) 2.256 6.735 ( -0.093 -1.293 2.108) 2.474 6.789 ( -4.883 -1.939 4.076) 6.650 7.469 ( 3.045 -0.714 -19.225) 19.478 7.525 ( -2.208 -1.904 -20.917) 21.119 8.720 ( 7.797 2.046 3.550) 8.808 8.898 ( -8.998 -1.752 2.516) 9.506 9.100 ( 2.734 0.912 12.107) 12.445 9.162 ( -3.096 -0.324 12.296) 12.684 10.975 ( 5.394 6.879 -11.747) 14.643 11.092 ( -5.810 5.620 -12.572) 14.947 11.631 ( 1.450 -5.819 -12.315) 13.697 11.666 ( -1.830 -4.811 -12.389) 13.415 13.480 ( 5.873 1.710 10.707) 12.331 13.580 ( -3.582 -0.561 9.981) 10.619 13.815 ( 2.698 1.582 12.564) 12.948 13.904 ( -5.539 -0.399 13.551) 14.644 14.038 ( 1.107 -1.527 2.013) 2.758 14.065 ( -1.397 -2.156 1.721) 3.093 14.462 ( 4.260 0.913 -4.408) 6.197 14.540 ( -2.939 -0.770 -5.177) 6.003 14.883 ( -0.261 4.115 -1.515) 4.393 14.887 ( -0.686 4.344 -1.529) 4.656 15.042 ( 0.953 -0.106 7.947) 8.005 15.062 ( 1.384 0.716 -5.209) 5.437 15.096 ( -2.710 -3.382 9.032) 10.018 15.126 ( -2.444 -0.950 -5.836) 6.399 15.190 ( 3.943 5.164 -3.823) 7.539 15.274 ( -2.874 1.162 -4.665) 5.601 15.335 ( 1.684 0.711 1.246) 2.212 15.419 ( -6.434 5.894 7.227) 11.330 15.783 ( 8.039 -9.298 0.367) 12.297 15.947 ( -7.731 -12.820 0.992) 15.004 16.050 ( 6.422 -11.150 -4.122) 13.511 16.173 ( -5.252 -9.637 -2.450) 11.245 16.473 ( 1.494 7.034 -4.881) 8.691 16.512 ( -2.264 7.547 -4.319) 8.985 16.664 ( 1.924 3.615 1.967) 4.543 16.711 ( -2.223 1.927 2.211) 3.680 16.778 ( 1.241 0.572 9.235) 9.336 16.797 ( -0.069 1.476 2.274) 2.712 16.859 ( 0.338 3.106 1.773) 3.593 16.912 ( -4.062 1.134 -5.778) 7.153 17.411 ( 2.554 0.939 6.260) 6.826 17.472 ( -3.439 -0.472 5.010) 6.095 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 12.438 8.417) 15.018 0.990 ( 0.000 8.124 10.231) 13.064 1.292 ( 0.000 -4.922 12.091) 13.055 1.308 ( 0.000 -6.545 16.803) 18.032 1.530 ( 0.000 5.419 -0.018) 5.419 1.591 ( 0.000 0.810 0.627) 1.024 1.661 ( 0.000 -2.414 -6.922) 7.331 1.663 ( 0.000 -3.986 -6.352) 7.499 1.703 ( 0.000 -0.089 -2.312) 2.314 1.731 ( 0.000 -2.342 0.032) 2.342 1.976 ( 0.000 0.960 11.664) 11.703 1.977 ( 0.000 1.256 8.909) 8.998 2.203 ( 0.000 0.342 0.712) 0.789 2.216 ( 0.000 0.535 -0.192) 0.568 2.272 ( 0.000 -2.684 0.131) 2.687 2.275 ( 0.000 -1.016 -0.708) 1.239 2.624 ( 0.000 2.607 -0.749) 2.713 2.652 ( 0.000 -0.076 0.653) 0.657 2.714 ( 0.000 2.737 12.039) 12.346 2.747 ( 0.000 -1.706 -1.716) 2.420 2.759 ( 0.000 -3.222 1.622) 3.607 2.852 ( 0.000 -9.149 5.963) 10.921 3.094 ( 0.000 -2.003 7.757) 8.011 3.098 ( 0.000 -2.960 16.276) 16.543 3.346 ( 0.000 3.997 8.066) 9.002 3.423 ( 0.000 -2.022 4.327) 4.776 3.567 ( 0.000 -0.506 -5.764) 5.786 3.634 ( 0.000 -5.262 -4.493) 6.919 3.684 ( 0.000 1.400 -0.285) 1.429 3.707 ( 0.000 -1.423 0.818) 1.641 4.708 ( 0.000 8.467 -4.128) 9.420 4.795 ( 0.000 0.797 -5.295) 5.354 5.076 ( 0.000 3.167 -6.493) 7.224 5.091 ( 0.000 1.754 -6.602) 6.831 5.202 ( 0.000 8.477 -1.127) 8.552 5.374 ( 0.000 -5.421 -7.052) 8.895 5.540 ( 0.000 10.447 14.035) 17.497 5.839 ( 0.000 -15.384 8.638) 17.643 6.411 ( 0.000 3.682 1.877) 4.133 6.489 ( 0.000 -3.452 0.401) 3.475 7.010 ( 0.000 0.888 7.202) 7.256 7.017 ( 0.000 0.056 10.532) 10.532 7.387 ( 0.000 2.996 -16.825) 17.090 7.462 ( 0.000 -3.981 -19.327) 19.732 8.741 ( 0.000 10.253 0.599) 10.271 8.891 ( 0.000 -2.327 3.995) 4.624 9.206 ( 0.000 -2.374 16.476) 16.646 9.213 ( 0.000 -3.990 12.143) 12.782 11.078 ( 0.000 14.515 -11.061) 18.249 11.382 ( 0.000 -13.493 -11.219) 17.548 11.433 ( 0.000 8.417 -14.933) 17.142 11.613 ( 0.000 -7.971 -12.181) 14.557 13.323 ( 0.000 6.082 10.405) 12.052 13.459 ( 0.000 -6.630 10.640) 12.537 13.955 ( 0.000 4.169 13.942) 14.552 14.014 ( 0.000 -0.245 5.719) 5.724 14.075 ( 0.000 -1.701 9.253) 9.408 14.079 ( 0.000 -0.432 0.573) 0.717 14.444 ( 0.000 5.144 -5.391) 7.451 14.540 ( 0.000 -3.368 -10.165) 10.708 14.983 ( 0.000 4.949 10.044) 11.197 15.034 ( 0.000 3.314 7.770) 8.447 15.058 ( 0.000 -0.415 -2.566) 2.599 15.068 ( 0.000 -1.194 -1.651) 2.038 15.121 ( 0.000 -1.605 -7.990) 8.149 15.122 ( 0.000 -2.345 -5.824) 6.278 15.198 ( 0.000 -2.106 -1.395) 2.526 15.228 ( 0.000 -3.613 -3.420) 4.975 15.360 ( 0.000 -3.006 -0.517) 3.050 15.384 ( 0.000 -3.794 -2.727) 4.672 15.774 ( 0.000 7.275 0.705) 7.309 15.955 ( 0.000 -9.529 0.788) 9.562 16.171 ( 0.000 8.503 -3.670) 9.261 16.286 ( 0.000 -1.439 -0.914) 1.705 16.519 ( 0.000 6.686 -4.163) 7.876 16.636 ( 0.000 -4.518 -3.622) 5.791 16.667 ( 0.000 0.155 0.856) 0.870 16.687 ( 0.000 -0.989 2.341) 2.541 16.803 ( 0.000 -0.186 8.593) 8.595 16.819 ( 0.000 -1.458 7.249) 7.394 16.986 ( 0.000 0.895 -4.028) 4.126 16.994 ( 0.000 0.111 -5.864) 5.865 17.444 ( 0.000 5.240 3.134) 6.106 17.555 ( 0.000 -5.016 1.878) 5.356 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.185 12.543 7.997) 14.877 1.054 ( 3.205 4.155 8.801) 10.247 1.233 ( -2.194 -0.844 10.948) 11.197 1.321 ( -1.366 -3.104 11.023) 11.532 1.520 ( -2.999 -1.387 2.755) 4.302 1.569 ( -1.949 -5.671 -0.650) 6.031 1.682 ( 5.596 1.852 2.746) 6.503 1.715 ( 3.950 -0.826 -0.549) 4.072 1.755 ( 5.516 1.141 -2.937) 6.352 1.797 ( 6.006 -2.477 -6.573) 9.242 1.995 ( 0.409 2.004 4.774) 5.194 2.002 ( 1.816 0.792 10.375) 10.562 2.217 ( 0.061 0.280 -0.188) 0.343 2.237 ( 2.332 -0.871 -0.644) 2.572 2.259 ( -0.601 -1.370 -0.804) 1.699 2.308 ( 2.544 -3.325 -0.912) 4.285 2.598 ( -2.022 1.671 2.333) 3.511 2.631 ( -2.095 -1.621 5.396) 6.011 2.730 ( 1.517 1.898 4.576) 5.181 2.781 ( 1.617 -2.095 8.983) 9.365 2.799 ( 4.863 0.977 -0.906) 5.043 2.922 ( 5.830 -9.222 3.142) 11.354 3.099 ( 1.073 -0.892 12.740) 12.816 3.131 ( 2.552 -3.562 12.846) 13.573 3.334 ( -0.807 4.511 5.183) 6.918 3.430 ( 0.004 -4.359 1.085) 4.492 3.588 ( 2.177 0.549 -4.203) 4.765 3.628 ( -0.745 -1.515 -3.563) 3.943 3.697 ( -0.718 -1.031 0.060) 1.258 3.703 ( 2.050 -2.026 -2.540) 3.841 4.698 ( -0.877 8.078 -3.288) 8.766 4.776 ( -1.788 1.219 -4.208) 4.732 5.072 ( -0.267 3.153 -6.425) 7.162 5.084 ( -0.365 2.009 -6.209) 6.536 5.242 ( 3.377 7.343 -4.275) 9.143 5.402 ( 2.345 -6.571 -8.830) 11.254 5.567 ( 2.906 11.141 13.834) 17.999 5.848 ( 0.978 -14.110 8.242) 16.370 6.402 ( -1.005 3.330 1.846) 3.938 6.470 ( -1.966 -2.788 0.756) 3.494 6.940 ( -5.879 1.684 6.312) 8.789 6.972 ( -4.423 -1.193 8.152) 9.351 7.402 ( 1.293 2.759 -17.201) 17.469 7.474 ( 0.859 -3.839 -19.628) 20.019 8.735 ( -0.345 9.958 1.576) 10.088 8.902 ( 0.665 -4.230 3.051) 5.257 9.181 ( -2.156 -1.499 14.099) 14.341 9.206 ( -0.758 -2.963 14.074) 14.402 11.085 ( 0.648 13.895 -11.094) 17.792 11.361 ( -2.050 -7.585 -11.396) 13.842 11.438 ( 0.464 3.013 -14.468) 14.786 11.601 ( -1.101 -7.901 -12.420) 14.762 13.354 ( 2.947 5.586 10.593) 12.333 13.479 ( 1.833 -6.057 10.670) 12.405 13.938 ( -1.645 4.328 13.727) 14.487 14.016 ( -0.102 -1.592 8.629) 8.776 14.038 ( -2.427 0.127 5.140) 5.686 14.077 ( -0.885 -1.918 2.378) 3.181 14.444 ( 0.087 4.819 -5.362) 7.210 14.534 ( -0.509 -3.274 -9.038) 9.627 14.966 ( -0.909 4.852 11.453) 12.472 15.031 ( -0.983 2.594 -1.392) 3.103 15.052 ( 0.202 0.311 4.798) 4.813 15.092 ( -0.138 0.108 -9.392) 9.394 15.103 ( -0.517 -3.212 -3.069) 4.472 15.121 ( -0.146 -5.795 -0.244) 5.802 15.188 ( 1.163 3.139 -0.516) 3.387 15.243 ( 0.714 0.065 -7.305) 7.340 15.376 ( 0.849 -2.245 -2.200) 3.256 15.431 ( 4.131 -7.733 3.813) 9.560 15.714 ( -4.894 7.980 -0.405) 9.370 15.915 ( -3.764 -10.679 0.452) 11.332 16.074 ( -7.665 8.852 -3.926) 12.349 16.232 ( -5.440 -5.400 -1.674) 7.846 16.527 ( 0.944 5.359 -5.189) 7.519 16.615 ( -1.256 -3.025 -4.555) 5.610 16.686 ( 2.021 2.917 0.606) 3.600 16.732 ( 1.999 -0.865 3.725) 4.315 16.797 ( -0.631 0.191 8.756) 8.781 16.819 ( 0.502 -1.419 8.316) 8.451 16.974 ( -1.143 1.890 -4.738) 5.227 17.000 ( 0.008 -0.653 -5.898) 5.934 17.436 ( -0.606 4.650 3.876) 6.084 17.536 ( -1.739 -4.526 2.539) 5.474 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 5.310 10.040 4.270) 12.134 1.107 ( 2.425 0.954 6.575) 7.073 1.220 ( 0.713 1.899 7.689) 7.952 1.281 ( -1.920 0.115 9.133) 9.333 1.459 ( -2.404 -2.327 3.767) 5.038 1.517 ( -2.855 -7.273 1.903) 8.042 1.797 ( 5.185 3.156 6.286) 8.738 1.850 ( 8.122 0.440 0.530) 8.151 1.891 ( 2.980 1.945 -0.173) 3.563 1.920 ( 6.648 -0.668 -3.745) 7.660 1.991 ( 0.719 -0.962 -2.372) 2.659 2.037 ( 1.900 -3.624 7.703) 8.722 2.214 ( -0.175 1.137 -0.218) 1.171 2.227 ( -1.120 -2.705 -0.024) 2.928 2.302 ( 2.603 -1.984 -4.144) 5.280 2.352 ( 1.133 -3.594 -4.602) 5.948 2.555 ( -2.116 -0.062 2.587) 3.343 2.573 ( -3.328 -1.675 4.938) 6.186 2.778 ( 3.276 1.263 5.110) 6.200 2.819 ( 2.253 -1.526 15.901) 16.132 2.903 ( 3.793 2.915 8.510) 9.762 3.006 ( 0.633 -5.956 13.707) 14.958 3.155 ( 4.589 -0.894 1.925) 5.056 3.198 ( 3.994 -3.865 9.607) 11.099 3.324 ( -0.046 3.793 0.640) 3.847 3.409 ( -1.956 -4.421 -1.266) 4.998 3.611 ( -0.685 0.083 -2.411) 2.508 3.624 ( 0.047 -1.434 -2.587) 2.958 3.713 ( 3.257 1.026 -3.715) 5.047 3.760 ( 3.103 -3.355 -6.312) 7.793 4.679 ( -0.803 6.829 -1.569) 7.053 4.730 ( -2.416 2.313 -1.925) 3.859 5.071 ( 0.212 3.120 -6.516) 7.227 5.081 ( 0.086 2.176 -6.674) 7.020 5.324 ( 4.442 5.213 -9.607) 11.798 5.446 ( 1.525 -5.890 -11.557) 13.061 5.669 ( 7.002 9.145 11.672) 16.398 5.881 ( 2.135 -10.405 7.602) 13.062 6.366 ( -2.694 2.330 2.221) 4.197 6.407 ( -4.128 -1.120 1.383) 4.495 6.806 ( -6.317 1.775 3.150) 7.279 6.856 ( -6.364 -2.591 5.196) 8.615 7.431 ( 1.491 1.851 -19.070) 19.217 7.487 ( 0.257 -3.206 -20.668) 20.916 8.739 ( 0.956 7.875 2.926) 8.455 8.899 ( -1.306 -6.563 2.303) 7.077 9.136 ( -1.730 1.755 13.488) 13.711 9.182 ( -1.494 -2.255 13.507) 13.776 11.108 ( 1.734 12.070 -11.137) 16.514 11.303 ( -3.428 -0.407 -11.362) 11.875 11.454 ( 1.202 -2.677 -13.993) 14.297 11.571 ( -1.831 -7.714 -12.928) 15.166 13.434 ( 4.544 4.225 10.902) 12.544 13.526 ( 2.453 -4.375 10.616) 11.742 13.892 ( -2.543 3.978 13.528) 14.328 13.967 ( -3.696 -2.804 13.914) 14.668 14.019 ( -0.442 0.503 1.985) 2.095 14.050 ( -1.620 -1.972 0.747) 2.659 14.455 ( 1.277 3.750 -4.370) 5.898 14.527 ( -0.003 -2.767 -5.791) 6.418 14.957 ( -0.073 3.928 12.177) 12.795 15.004 ( -2.295 2.308 -1.943) 3.791 15.029 ( -1.282 -0.342 -2.022) 2.419 15.063 ( -2.048 -3.690 4.409) 6.103 15.094 ( 0.178 0.822 -8.438) 8.479 15.153 ( 2.333 -2.389 -2.708) 4.299 15.244 ( 0.501 3.091 -4.385) 5.388 15.255 ( 2.955 2.861 -1.595) 4.412 15.373 ( -0.967 1.523 1.260) 2.200 15.520 ( 3.475 -7.682 7.876) 11.537 15.638 ( -1.097 3.763 -3.178) 5.046 15.816 ( -5.325 -11.318 -0.438) 12.516 15.908 ( -7.609 6.894 -5.960) 11.872 16.093 ( -7.569 -9.193 -2.849) 12.244 16.557 ( 2.016 4.298 -6.892) 8.369 16.608 ( 0.763 -0.365 -7.659) 7.706 16.706 ( -0.501 1.795 5.341) 5.656 16.731 ( -1.450 -0.965 6.693) 6.916 16.803 ( 1.423 2.793 7.468) 8.099 16.843 ( 0.850 -0.308 4.775) 4.860 16.937 ( -2.075 2.639 -3.069) 4.548 16.978 ( -2.223 -1.102 -5.286) 5.839 17.427 ( -0.075 3.123 5.158) 6.030 17.494 ( -2.075 -3.022 4.024) 5.444 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 5.613 5.146 0.539) 7.634 1.146 ( 0.223 -0.442 1.326) 1.416 1.235 ( 0.404 6.404 7.455) 9.836 1.254 ( -0.854 4.302 8.118) 9.227 1.430 ( -0.018 -5.299 6.554) 8.428 1.461 ( -2.493 -7.043 5.601) 9.338 1.872 ( 1.923 4.773 3.888) 6.450 1.895 ( -0.909 5.695 3.540) 6.767 1.981 ( 1.859 -4.168 1.410) 4.777 1.990 ( 2.492 -1.037 -1.086) 2.909 2.040 ( 3.141 -3.300 1.325) 4.745 2.084 ( 0.606 -4.792 -0.146) 4.833 2.229 ( 1.758 -1.075 0.349) 2.090 2.233 ( 1.993 0.229 1.057) 2.267 2.328 ( -0.359 -3.062 -4.676) 5.600 2.341 ( -1.904 -2.623 -6.493) 7.257 2.516 ( -1.254 -2.331 -1.247) 2.926 2.520 ( -1.397 -2.638 -2.267) 3.748 2.863 ( 4.883 0.373 11.802) 12.777 2.873 ( 2.888 0.117 21.320) 21.515 2.923 ( -1.450 1.729 20.076) 20.203 2.962 ( -4.158 -1.997 14.575) 15.287 3.247 ( 3.567 -0.360 -1.481) 3.879 3.270 ( 1.769 -1.536 0.355) 2.369 3.333 ( 1.012 0.375 -1.102) 1.542 3.365 ( -1.983 -2.384 -1.268) 3.350 3.602 ( -0.201 -0.932 -1.249) 1.571 3.609 ( -0.858 -1.599 -1.631) 2.440 3.788 ( 2.852 -0.137 -7.267) 7.808 3.807 ( 1.005 -2.011 -8.113) 8.418 4.671 ( 0.104 5.135 -0.176) 5.139 4.687 ( -1.562 3.633 -0.221) 3.961 5.078 ( 0.381 3.025 -6.840) 7.489 5.083 ( -0.033 2.605 -7.050) 7.516 5.410 ( 3.542 1.757 -13.635) 14.197 5.455 ( -0.782 -2.331 -13.744) 13.962 5.827 ( 7.315 4.264 9.141) 12.460 5.913 ( -0.361 -3.584 7.912) 8.693 6.301 ( -2.319 0.805 2.673) 3.629 6.321 ( -3.614 -0.798 1.565) 4.018 6.719 ( -1.671 0.120 1.453) 2.218 6.743 ( -3.896 -2.011 2.477) 5.036 7.460 ( 1.302 0.158 -21.041) 21.082 7.482 ( -0.713 -1.793 -21.533) 21.619 8.778 ( 2.848 3.231 3.562) 5.589 8.847 ( -3.453 -3.007 3.140) 5.552 9.124 ( 0.531 1.287 12.675) 12.751 9.149 ( -1.621 -0.924 12.704) 12.840 11.157 ( 3.031 9.071 -11.166) 14.702 11.228 ( -3.771 4.925 -11.239) 12.837 11.487 ( 1.918 -5.706 -13.712) 14.975 11.529 ( -2.142 -7.166 -13.394) 15.340 13.522 ( 3.613 2.030 10.783) 11.552 13.560 ( 0.221 -1.416 10.454) 10.552 13.856 ( -0.285 2.069 14.053) 14.207 13.891 ( -3.279 -1.041 14.479) 14.882 14.009 ( -0.178 -0.723 1.232) 1.440 14.019 ( -1.141 -1.640 0.688) 2.114 14.495 ( 2.256 1.931 -2.629) 3.967 14.527 ( -0.529 -0.853 -2.678) 2.860 14.953 ( -0.437 2.900 3.263) 4.387 14.962 ( -1.266 2.343 0.126) 2.666 15.007 ( -0.244 -2.695 0.009) 2.706 15.026 ( -1.620 -3.307 6.753) 7.692 15.123 ( 2.686 4.674 -3.894) 6.651 15.180 ( -1.479 3.410 -0.485) 3.748 15.232 ( 0.963 -0.687 -8.176) 8.261 15.273 ( -1.962 -1.360 -4.794) 5.355 15.418 ( 5.673 6.875 5.525) 10.487 15.528 ( -3.338 0.549 7.709) 8.418 15.656 ( 1.829 -1.318 -1.465) 2.689 15.722 ( -4.128 -6.001 -0.004) 7.284 15.831 ( 2.007 -5.859 -8.228) 10.299 15.940 ( -7.066 -10.876 -4.357) 13.682 16.605 ( 2.328 4.753 -7.231) 8.960 16.631 ( 0.408 3.353 -9.315) 9.908 16.689 ( 0.048 -0.617 8.218) 8.242 16.709 ( -0.901 -1.529 3.258) 3.710 16.813 ( -0.330 2.113 4.640) 5.109 16.832 ( -1.495 0.636 2.074) 2.635 16.916 ( 0.051 1.873 1.623) 2.479 16.931 ( -1.539 0.387 -0.869) 1.809 17.435 ( 0.768 1.195 5.659) 5.835 17.458 ( -1.462 -0.911 5.229) 5.506 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 0.000 14.498) 14.498 1.063 ( 0.000 0.000 19.772) 19.772 1.428 ( 0.000 0.000 2.964) 2.964 1.430 ( 0.000 0.000 -13.376) 13.376 1.587 ( 0.000 0.000 -1.029) 1.029 1.607 ( 0.000 0.000 -5.682) 5.682 1.761 ( 0.000 0.000 -0.423) 0.423 1.768 ( 0.000 0.000 2.368) 2.368 1.795 ( 0.000 0.000 0.479) 0.479 1.876 ( 0.000 0.000 6.902) 6.902 1.922 ( 0.000 0.000 16.789) 16.789 2.100 ( 0.000 0.000 18.329) 18.329 2.148 ( 0.000 0.000 -3.618) 3.618 2.185 ( 0.000 0.000 -0.612) 0.612 2.500 ( 0.000 0.000 -0.645) 0.645 2.512 ( 0.000 0.000 2.453) 2.453 2.529 ( 0.000 0.000 -5.876) 5.876 2.549 ( 0.000 0.000 3.740) 3.740 2.721 ( 0.000 0.000 -6.660) 6.660 2.836 ( 0.000 0.000 0.051) 0.051 2.852 ( 0.000 0.000 -5.556) 5.556 3.117 ( 0.000 0.000 7.958) 7.958 3.201 ( 0.000 0.000 -5.471) 5.471 3.313 ( 0.000 0.000 -0.757) 0.757 3.491 ( 0.000 0.000 -13.977) 13.977 3.513 ( 0.000 0.000 2.251) 2.251 3.629 ( 0.000 0.000 -5.134) 5.134 3.712 ( 0.000 0.000 5.389) 5.389 4.001 ( 0.000 0.000 32.340) 32.340 4.019 ( 0.000 0.000 23.967) 23.967 4.326 ( 0.000 0.000 2.676) 2.676 4.537 ( 0.000 0.000 0.784) 0.784 4.768 ( 0.000 0.000 -7.421) 7.421 4.791 ( 0.000 0.000 -8.663) 8.663 5.004 ( 0.000 0.000 -4.735) 4.735 5.186 ( 0.000 0.000 -20.615) 20.615 5.807 ( 0.000 0.000 27.972) 27.972 6.391 ( 0.000 0.000 2.707) 2.707 6.406 ( 0.000 0.000 -13.373) 13.373 6.461 ( 0.000 0.000 11.569) 11.569 6.894 ( 0.000 0.000 -6.720) 6.720 7.043 ( 0.000 0.000 -30.592) 30.592 7.148 ( 0.000 0.000 -2.305) 2.305 7.223 ( 0.000 0.000 8.434) 8.434 8.574 ( 0.000 0.000 6.424) 6.424 9.162 ( 0.000 0.000 13.609) 13.609 9.401 ( 0.000 0.000 1.514) 1.514 9.598 ( 0.000 0.000 15.489) 15.489 10.482 ( 0.000 0.000 -9.473) 9.473 10.897 ( 0.000 0.000 -15.317) 15.317 11.543 ( 0.000 0.000 -9.086) 9.086 11.602 ( 0.000 0.000 -6.468) 6.468 13.398 ( 0.000 0.000 12.882) 12.882 13.904 ( 0.000 0.000 5.135) 5.135 14.004 ( 0.000 0.000 18.077) 18.077 14.035 ( 0.000 0.000 3.975) 3.975 14.149 ( 0.000 0.000 6.740) 6.740 14.277 ( 0.000 0.000 -12.070) 12.070 14.286 ( 0.000 0.000 -1.138) 1.138 14.400 ( 0.000 0.000 11.886) 11.886 14.779 ( 0.000 0.000 -18.441) 18.441 14.835 ( 0.000 0.000 -21.594) 21.594 14.857 ( 0.000 0.000 -10.435) 10.435 15.014 ( 0.000 0.000 -11.137) 11.137 15.173 ( 0.000 0.000 13.575) 13.575 15.196 ( 0.000 0.000 3.342) 3.342 15.220 ( 0.000 0.000 6.202) 6.202 15.316 ( 0.000 0.000 -0.403) 0.403 15.539 ( 0.000 0.000 -13.016) 13.016 15.564 ( 0.000 0.000 -3.751) 3.751 15.846 ( 0.000 0.000 9.678) 9.678 15.889 ( 0.000 0.000 13.339) 13.339 16.161 ( 0.000 0.000 2.472) 2.472 16.175 ( 0.000 0.000 -5.743) 5.743 16.232 ( 0.000 0.000 -1.131) 1.131 16.633 ( 0.000 0.000 -15.222) 15.222 16.703 ( 0.000 0.000 -0.124) 0.124 16.732 ( 0.000 0.000 0.385) 0.385 16.775 ( 0.000 0.000 1.354) 1.354 16.909 ( 0.000 0.000 0.078) 0.078 17.015 ( 0.000 0.000 5.189) 5.189 17.075 ( 0.000 0.000 10.203) 10.203 17.438 ( 0.000 0.000 4.439) 4.439 17.703 ( 0.000 0.000 0.998) 0.998 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 5.092 0.000 14.247) 15.130 1.023 ( -2.295 0.000 19.129) 19.267 1.434 ( 0.079 0.000 -7.395) 7.395 1.445 ( -0.096 0.000 4.446) 4.447 1.602 ( 0.687 0.000 -2.642) 2.730 1.627 ( 3.113 0.000 -4.442) 5.424 1.726 ( -0.181 0.000 -1.883) 1.891 1.744 ( -3.541 0.000 0.361) 3.559 1.830 ( 3.242 0.000 0.369) 3.263 1.865 ( -1.497 0.000 4.727) 4.958 1.989 ( 5.389 0.000 13.988) 14.990 2.116 ( 2.384 0.000 5.060) 5.593 2.175 ( -1.266 0.000 -2.253) 2.584 2.185 ( 3.328 0.000 7.651) 8.343 2.500 ( -0.314 0.000 -0.970) 1.020 2.547 ( 4.147 0.000 2.212) 4.700 2.550 ( 0.505 0.000 3.586) 3.621 2.648 ( 7.310 0.000 -10.818) 13.056 2.732 ( 2.565 0.000 -0.220) 2.574 2.766 ( -3.053 0.000 -3.176) 4.405 2.959 ( 5.852 0.000 0.343) 5.862 3.146 ( 2.542 0.000 6.864) 7.320 3.220 ( 1.842 0.000 -5.549) 5.847 3.329 ( 1.950 0.000 1.113) 2.245 3.482 ( -2.633 0.000 1.719) 3.144 3.527 ( 3.234 0.000 -13.363) 13.749 3.630 ( 0.048 0.000 -4.208) 4.208 3.708 ( -0.597 0.000 2.183) 2.263 3.987 ( -3.019 0.000 25.292) 25.472 3.988 ( -1.130 0.000 31.669) 31.689 4.338 ( 1.174 0.000 2.543) 2.801 4.528 ( -0.871 0.000 0.917) 1.265 4.769 ( 0.060 0.000 -7.079) 7.079 4.791 ( -0.007 0.000 -8.381) 8.381 5.003 ( -0.018 0.000 -6.893) 6.893 5.193 ( 0.289 0.000 -22.837) 22.839 5.817 ( 1.095 0.000 27.546) 27.568 6.334 ( -3.702 0.000 -7.344) 8.224 6.422 ( -3.499 0.000 9.411) 10.040 6.430 ( 0.211 0.000 -0.521) 0.563 6.830 ( -4.648 0.000 -8.082) 9.323 6.989 ( -9.585 0.000 -4.012) 10.391 7.074 ( 1.877 0.000 -27.758) 27.822 7.298 ( 2.008 0.000 5.632) 5.979 8.592 ( 2.005 0.000 6.697) 6.991 9.191 ( 2.659 0.000 12.928) 13.199 9.345 ( -5.400 0.000 2.014) 5.763 9.576 ( -2.130 0.000 15.212) 15.361 10.503 ( 2.106 0.000 -9.572) 9.801 10.890 ( -0.852 0.000 -14.950) 14.974 11.536 ( -0.622 0.000 -9.218) 9.239 11.570 ( -2.813 0.000 -6.924) 7.473 13.439 ( 3.864 0.000 12.378) 12.967 13.889 ( -1.533 0.000 5.582) 5.789 13.978 ( -1.397 0.000 13.078) 13.152 14.074 ( 2.684 0.000 7.352) 7.826 14.165 ( 1.542 0.000 6.718) 6.893 14.274 ( -1.191 0.000 -1.610) 2.003 14.325 ( 4.239 0.000 -9.336) 10.253 14.390 ( -1.151 0.000 11.862) 11.918 14.734 ( -2.744 0.000 -20.548) 20.730 14.825 ( -2.290 0.000 -8.266) 8.577 14.851 ( 0.351 0.000 -13.729) 13.734 15.020 ( 0.400 0.000 -10.705) 10.713 15.098 ( -4.772 0.000 -0.891) 4.854 15.176 ( -3.768 0.000 -0.578) 3.812 15.191 ( 1.314 0.000 10.633) 10.714 15.470 ( 10.528 0.000 2.201) 10.756 15.478 ( -8.006 0.000 -2.661) 8.436 15.579 ( 2.780 0.000 -3.179) 4.223 15.797 ( -6.758 0.000 12.774) 14.451 15.873 ( 3.075 0.000 5.058) 5.919 16.176 ( 0.227 0.000 -6.467) 6.471 16.203 ( 1.230 0.000 0.471) 1.317 16.258 ( 3.167 0.000 -1.333) 3.436 16.563 ( -5.963 0.000 -9.263) 11.016 16.692 ( -1.582 0.000 -1.541) 2.208 16.729 ( -0.341 0.000 0.407) 0.531 16.774 ( -0.199 0.000 1.123) 1.141 16.889 ( -1.986 0.000 -2.209) 2.971 17.011 ( -0.312 0.000 5.851) 5.859 17.061 ( -1.274 0.000 10.540) 10.617 17.445 ( 0.692 0.000 4.396) 4.450 17.681 ( -2.105 0.000 1.377) 2.515 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 7.258 0.000 12.925) 14.823 1.024 ( 2.887 0.000 17.242) 17.482 1.397 ( -4.125 0.000 6.240) 7.480 1.403 ( -3.775 0.000 6.024) 7.109 1.618 ( 1.537 0.000 -8.839) 8.972 1.677 ( -1.193 0.000 -1.110) 1.630 1.747 ( 1.305 0.000 -2.367) 2.703 1.753 ( 6.921 0.000 -4.792) 8.418 1.827 ( -1.993 0.000 4.627) 5.038 1.897 ( 3.346 0.000 -2.578) 4.223 2.063 ( 0.645 0.000 0.116) 0.655 2.127 ( -3.373 0.000 -4.595) 5.700 2.190 ( 5.320 0.000 3.921) 6.609 2.307 ( 7.962 0.000 11.271) 13.800 2.475 ( -2.132 0.000 -0.260) 2.148 2.574 ( 1.321 0.000 1.161) 1.758 2.663 ( 5.894 0.000 1.511) 6.085 2.690 ( 0.731 0.000 -9.362) 9.391 2.708 ( -2.807 0.000 -1.563) 3.213 2.894 ( 9.576 0.000 3.086) 10.061 3.029 ( -0.261 0.000 2.523) 2.536 3.221 ( 4.788 0.000 4.496) 6.569 3.273 ( 3.232 0.000 -4.659) 5.671 3.345 ( -3.126 0.000 6.896) 7.572 3.489 ( 6.244 0.000 0.205) 6.247 3.590 ( 1.370 0.000 -7.115) 7.245 3.643 ( 2.355 0.000 -5.681) 6.150 3.684 ( -1.579 0.000 -4.324) 4.603 3.907 ( -4.388 0.000 27.315) 27.665 3.957 ( -2.033 0.000 29.732) 29.801 4.371 ( 1.918 0.000 2.245) 2.953 4.502 ( -1.683 0.000 1.317) 2.137 4.771 ( 0.131 0.000 -6.692) 6.693 4.788 ( -0.256 0.000 -7.651) 7.655 5.009 ( 0.804 0.000 -12.979) 13.003 5.179 ( -1.953 0.000 -25.970) 26.044 5.858 ( 3.029 0.000 23.151) 23.348 6.241 ( -5.807 0.000 -7.540) 9.517 6.343 ( -3.504 0.000 4.811) 5.952 6.392 ( -3.843 0.000 7.689) 8.596 6.755 ( -1.902 0.000 -4.775) 5.140 6.835 ( -4.487 0.000 -11.595) 12.433 7.099 ( 0.601 0.000 -26.164) 26.171 7.278 ( -3.617 0.000 1.519) 3.924 8.665 ( 5.266 0.000 6.907) 8.685 9.194 ( -9.002 0.000 3.285) 9.583 9.261 ( 3.906 0.000 12.177) 12.788 9.516 ( -3.638 0.000 14.507) 14.956 10.567 ( 4.076 0.000 -9.952) 10.755 10.854 ( -2.815 0.000 -13.795) 14.079 11.510 ( -2.524 0.000 -8.095) 8.479 11.518 ( -1.182 0.000 -9.517) 9.590 13.542 ( 5.880 0.000 11.080) 12.543 13.842 ( -3.082 0.000 6.763) 7.432 13.964 ( 0.269 0.000 10.399) 10.403 14.134 ( 3.060 0.000 8.615) 9.142 14.190 ( -1.066 0.000 6.670) 6.754 14.243 ( -0.653 0.000 0.674) 0.938 14.354 ( -1.809 0.000 8.092) 8.292 14.410 ( 2.727 0.000 -5.829) 6.436 14.713 ( 1.616 0.000 -19.306) 19.373 14.794 ( -0.394 0.000 -5.329) 5.343 14.844 ( -0.656 0.000 -2.825) 2.900 15.024 ( -0.169 0.000 -8.785) 8.786 15.037 ( -1.274 0.000 -6.001) 6.135 15.105 ( -2.610 0.000 -7.145) 7.606 15.196 ( -2.327 0.000 3.077) 3.857 15.278 ( -9.704 0.000 -2.083) 9.925 15.593 ( 0.245 0.000 11.497) 11.500 15.666 ( -5.463 0.000 14.298) 15.306 15.718 ( 11.727 0.000 1.164) 11.785 15.979 ( 6.889 0.000 -1.747) 7.107 16.188 ( 1.083 0.000 -8.053) 8.126 16.196 ( -1.448 0.000 -7.150) 7.295 16.319 ( 1.277 0.000 1.189) 1.745 16.420 ( -7.346 0.000 -2.313) 7.702 16.646 ( -2.218 0.000 -0.478) 2.268 16.716 ( -0.923 0.000 0.460) 1.031 16.761 ( -1.197 0.000 0.405) 1.264 16.831 ( -3.459 0.000 -5.002) 6.082 17.005 ( -0.241 0.000 7.388) 7.392 17.031 ( -1.414 0.000 10.992) 11.082 17.467 ( 1.542 0.000 4.222) 4.495 17.625 ( -3.101 0.000 2.305) 3.864 ======================= Grid point 108 (40/60) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 7.078 0.000 14.009) 15.696 1.154 ( 7.085 0.000 10.707) 12.838 1.287 ( -7.069 0.000 11.344) 13.366 1.292 ( -5.968 0.000 8.873) 10.693 1.654 ( 1.372 0.000 -7.447) 7.572 1.666 ( -0.094 0.000 -5.563) 5.564 1.766 ( 0.834 0.000 -0.194) 0.856 1.790 ( -1.556 0.000 2.980) 3.362 1.904 ( 7.068 0.000 -4.600) 8.434 1.966 ( 3.119 0.000 -5.964) 6.731 2.037 ( -2.502 0.000 -4.392) 5.055 2.039 ( -5.044 0.000 -4.125) 6.516 2.310 ( 5.737 0.000 3.508) 6.724 2.412 ( -4.125 0.000 1.304) 4.326 2.469 ( 7.205 0.000 5.694) 9.183 2.574 ( -2.372 0.000 0.073) 2.373 2.660 ( -1.064 0.000 -0.536) 1.191 2.666 ( -0.957 0.000 -4.721) 4.817 2.825 ( 7.586 0.000 0.551) 7.606 2.962 ( -5.485 0.000 0.801) 5.543 3.071 ( 7.787 0.000 4.535) 9.012 3.214 ( -6.036 0.000 5.504) 8.169 3.335 ( 2.533 0.000 4.569) 5.225 3.336 ( 2.315 0.000 -0.736) 2.430 3.586 ( -0.538 0.000 -2.326) 2.387 3.593 ( -0.225 0.000 -4.549) 4.555 3.705 ( 5.176 0.000 -1.067) 5.285 3.712 ( 3.158 0.000 -5.143) 6.035 3.834 ( -1.635 0.000 27.669) 27.717 3.893 ( -4.484 0.000 28.051) 28.407 4.414 ( 2.309 0.000 2.000) 3.054 4.462 ( -2.224 0.000 1.737) 2.822 4.774 ( 0.198 0.000 -6.886) 6.889 4.781 ( -0.445 0.000 -7.186) 7.200 5.044 ( 2.719 0.000 -20.366) 20.546 5.115 ( -3.854 0.000 -25.277) 25.569 5.945 ( 5.743 0.000 13.484) 14.656 6.092 ( -8.137 0.000 2.501) 8.513 6.299 ( -0.671 0.000 1.186) 1.363 6.318 ( -2.526 0.000 3.292) 4.149 6.759 ( 1.713 0.000 -1.973) 2.613 6.791 ( -1.116 0.000 -8.724) 8.795 7.114 ( 1.496 0.000 -21.522) 21.574 7.180 ( -4.891 0.000 -8.803) 10.071 8.806 ( 8.365 0.000 6.324) 10.487 8.996 ( -9.913 0.000 4.920) 11.067 9.345 ( 4.303 0.000 12.481) 13.202 9.433 ( -4.282 0.000 13.486) 14.149 10.665 ( 5.333 0.000 -10.780) 12.027 10.773 ( -4.950 0.000 -12.153) 13.123 11.481 ( -0.267 0.000 -9.263) 9.267 11.492 ( -1.131 0.000 -9.687) 9.753 13.663 ( 5.667 0.000 9.574) 11.126 13.766 ( -4.337 0.000 8.185) 9.263 14.001 ( 3.517 0.000 8.373) 9.081 14.101 ( -5.725 0.000 6.076) 8.348 14.194 ( 2.762 0.000 9.963) 10.339 14.240 ( -1.374 0.000 10.469) 10.559 14.355 ( 2.296 0.000 -2.800) 3.621 14.411 ( -2.159 0.000 -5.097) 5.535 14.800 ( 4.184 0.000 -10.942) 11.715 14.804 ( 0.963 0.000 -2.465) 2.646 14.845 ( 2.757 0.000 -2.376) 3.640 14.989 ( -5.895 0.000 -6.097) 8.481 15.027 ( -0.056 0.000 -6.036) 6.036 15.054 ( -4.917 0.000 -9.298) 10.518 15.096 ( 2.147 0.000 -9.128) 9.377 15.169 ( -4.039 0.000 -2.428) 4.713 15.584 ( -0.499 0.000 16.768) 16.776 15.592 ( -1.712 0.000 17.006) 17.092 15.956 ( 10.968 0.000 -0.042) 10.968 16.125 ( 6.657 0.000 -2.574) 7.137 16.134 ( -5.545 0.000 -6.847) 8.810 16.228 ( 3.167 0.000 -7.787) 8.406 16.245 ( -6.230 0.000 0.296) 6.237 16.316 ( -4.271 0.000 -2.410) 4.904 16.638 ( 1.693 0.000 1.183) 2.065 16.687 ( -2.216 0.000 1.314) 2.576 16.737 ( -0.296 0.000 -1.958) 1.980 16.764 ( -2.689 0.000 -4.678) 5.396 17.003 ( 0.062 0.000 9.110) 9.110 17.010 ( -0.655 0.000 10.499) 10.519 17.507 ( 2.352 0.000 3.862) 4.522 17.562 ( -2.974 0.000 3.240) 4.398 ======================= Grid point 112 (41/60) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 6.886 12.543) 14.308 1.126 ( 0.000 5.343 17.969) 18.746 1.407 ( 0.000 -0.598 -6.657) 6.684 1.473 ( 0.000 2.913 -2.110) 3.597 1.523 ( 0.000 -3.239 -1.446) 3.547 1.617 ( 0.000 -0.177 -5.087) 5.091 1.696 ( 0.000 -4.571 6.170) 7.679 1.718 ( 0.000 -3.513 -0.234) 3.521 1.790 ( 0.000 -1.045 0.313) 1.091 1.860 ( 0.000 -5.120 16.827) 17.589 1.985 ( 0.000 7.234 5.612) 9.155 2.138 ( 0.000 1.030 6.990) 7.066 2.183 ( 0.000 2.412 -2.525) 3.492 2.231 ( 0.000 4.467 5.486) 7.075 2.356 ( 0.000 -6.886 2.804) 7.435 2.427 ( 0.000 -8.446 -0.903) 8.494 2.522 ( 0.000 -0.478 -3.082) 3.119 2.605 ( 0.000 2.732 -1.245) 3.003 2.708 ( 0.000 -1.201 -4.264) 4.430 2.798 ( 0.000 -3.130 -2.159) 3.802 2.816 ( 0.000 -3.592 -4.541) 5.790 3.030 ( 0.000 -11.705 -4.335) 12.482 3.140 ( 0.000 1.622 4.766) 5.034 3.301 ( 0.000 -1.198 -0.458) 1.282 3.473 ( 0.000 -1.077 -7.993) 8.065 3.523 ( 0.000 -7.282 -6.190) 9.557 3.612 ( 0.000 4.903 0.281) 4.911 3.708 ( 0.000 -1.093 1.598) 1.936 3.958 ( 0.000 -2.261 34.857) 34.930 3.965 ( 0.000 -2.093 27.057) 27.138 4.465 ( 0.000 9.786 1.644) 9.923 4.640 ( 0.000 6.883 -0.202) 6.886 4.831 ( 0.000 4.821 -7.772) 9.146 4.852 ( 0.000 4.765 -8.194) 9.479 5.033 ( 0.000 2.503 -6.536) 6.999 5.176 ( 0.000 -0.960 -20.118) 20.141 5.825 ( 0.000 1.904 26.622) 26.690 6.282 ( 0.000 -9.272 3.692) 9.980 6.395 ( 0.000 0.422 1.458) 1.517 6.469 ( 0.000 -0.641 -2.361) 2.447 6.895 ( 0.000 0.462 -10.455) 10.465 7.013 ( 0.000 -2.368 -26.747) 26.851 7.194 ( 0.000 3.283 0.366) 3.304 7.244 ( 0.000 1.450 6.254) 6.420 8.631 ( 0.000 5.226 4.973) 7.213 9.100 ( 0.000 -5.344 7.940) 9.571 9.435 ( 0.000 2.616 7.542) 7.983 9.581 ( 0.000 -1.444 16.023) 16.088 10.591 ( 0.000 9.676 -10.163) 14.032 10.972 ( 0.000 6.851 -14.067) 15.647 11.418 ( 0.000 -10.026 -9.403) 13.745 11.567 ( 0.000 -4.664 -7.094) 8.490 13.444 ( 0.000 4.193 13.144) 13.797 13.824 ( 0.000 -5.538 10.979) 12.297 14.059 ( 0.000 2.098 4.824) 5.260 14.079 ( 0.000 5.148 10.545) 11.735 14.167 ( 0.000 0.985 8.258) 8.317 14.282 ( 0.000 0.446 -12.269) 12.277 14.303 ( 0.000 1.520 -1.420) 2.080 14.386 ( 0.000 -1.446 12.024) 12.111 14.798 ( 0.000 1.725 -17.979) 18.062 14.804 ( 0.000 -1.818 -19.119) 19.205 14.867 ( 0.000 0.930 -10.749) 10.790 15.017 ( 0.000 -0.507 -13.317) 13.326 15.143 ( 0.000 -3.769 1.926) 4.232 15.160 ( 0.000 -0.761 7.819) 7.856 15.215 ( 0.000 -0.579 4.328) 4.366 15.248 ( 0.000 -5.616 0.139) 5.618 15.528 ( 0.000 -0.841 -1.644) 1.847 15.636 ( 0.000 5.912 -1.876) 6.202 15.714 ( 0.000 -8.874 12.028) 14.947 15.972 ( 0.000 7.083 7.124) 10.046 16.091 ( 0.000 -5.471 -4.823) 7.294 16.258 ( 0.000 3.958 0.850) 4.048 16.307 ( 0.000 5.939 -1.433) 6.109 16.599 ( 0.000 -2.756 -10.901) 11.244 16.690 ( 0.000 -0.961 0.077) 0.965 16.742 ( 0.000 -0.062 0.442) 0.446 16.783 ( 0.000 1.174 -2.073) 2.382 16.892 ( 0.000 -1.447 -0.959) 1.736 17.017 ( 0.000 0.246 5.638) 5.643 17.068 ( 0.000 -0.665 9.577) 9.600 17.457 ( 0.000 1.851 4.078) 4.478 17.674 ( 0.000 -2.692 1.274) 2.978 ======================= Grid point 113 (42/60) ======================= q-point: ( 0.14 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 2.407 4.858 13.910) 14.929 1.119 ( 0.092 7.767 15.709) 17.524 1.404 ( -0.635 -2.779 -0.005) 2.851 1.446 ( -1.066 0.734 0.544) 1.404 1.589 ( 2.859 -0.174 -3.072) 4.200 1.628 ( 1.957 -0.480 -4.693) 5.107 1.699 ( -0.005 -2.372 2.182) 3.223 1.712 ( 0.030 -2.389 -3.049) 3.873 1.792 ( 1.557 -2.415 0.997) 3.041 1.918 ( 3.378 -3.318 10.539) 11.554 1.969 ( 0.161 4.114 8.326) 9.288 2.123 ( -0.695 0.890 1.231) 1.671 2.201 ( 1.038 1.623 -1.575) 2.489 2.243 ( 1.313 4.020 6.888) 8.083 2.376 ( 1.581 -6.742 2.362) 7.317 2.425 ( 0.033 -8.583 -1.796) 8.769 2.607 ( 4.091 0.728 0.303) 4.166 2.663 ( 6.131 -0.356 -2.008) 6.461 2.695 ( -0.999 -1.159 -4.850) 5.086 2.753 ( 0.320 -1.012 -2.261) 2.498 2.915 ( 5.657 -4.176 -0.521) 7.051 3.062 ( 2.958 -10.033 -3.968) 11.187 3.176 ( 3.004 1.395 3.251) 4.641 3.318 ( 2.399 -1.097 0.510) 2.687 3.498 ( 2.073 -1.727 -8.418) 8.840 3.526 ( -0.173 -5.008 -4.005) 6.415 3.583 ( -1.982 3.185 0.036) 3.751 3.701 ( -0.894 -1.290 -1.246) 2.004 3.940 ( -1.904 -2.348 28.993) 29.150 3.944 ( -1.755 -2.089 33.140) 33.253 4.470 ( 0.554 9.520 1.497) 9.653 4.631 ( -0.820 6.981 0.194) 7.031 4.831 ( 0.078 4.850 -7.432) 8.875 4.853 ( 0.083 4.827 -7.956) 9.306 5.027 ( -0.449 2.169 -8.690) 8.967 5.180 ( 0.134 -1.227 -21.952) 21.987 5.837 ( 1.320 2.083 25.874) 25.992 6.259 ( -2.161 -7.989 4.405) 9.375 6.370 ( -2.080 0.368 0.196) 2.122 6.467 ( -0.430 -0.086 -1.068) 1.154 6.841 ( -4.234 1.107 -11.384) 12.196 6.993 ( -5.215 -1.086 -11.157) 12.363 7.085 ( -3.348 2.275 -15.779) 16.290 7.289 ( 0.250 -1.053 4.610) 4.735 8.647 ( 1.727 5.013 5.456) 7.608 9.114 ( 0.949 -6.039 6.772) 9.124 9.395 ( -3.458 3.515 8.626) 9.936 9.561 ( -1.924 -1.312 15.573) 15.746 10.608 ( 1.663 9.295 -10.141) 13.857 10.963 ( -0.997 6.687 -13.760) 15.331 11.410 ( -0.670 -9.701 -9.371) 13.505 11.542 ( -2.183 -4.414 -7.625) 9.077 13.483 ( 3.586 3.908 12.675) 13.740 13.820 ( -0.423 -4.718 10.237) 11.279 14.042 ( -1.425 3.692 7.010) 8.051 14.090 ( 1.041 2.395 8.463) 8.857 14.178 ( 0.756 0.219 7.887) 7.926 14.284 ( -0.637 0.955 -4.804) 4.939 14.332 ( 3.607 0.701 -6.651) 7.598 14.373 ( -1.393 -1.709 11.886) 12.089 14.744 ( -2.199 1.087 -19.136) 19.293 14.847 ( 0.426 1.606 -11.724) 11.841 14.857 ( 0.210 1.049 -12.093) 12.140 15.018 ( -0.245 -0.626 -9.779) 9.802 15.069 ( -3.426 -2.395 -3.458) 5.425 15.131 ( -2.334 -1.232 0.631) 2.714 15.222 ( 0.554 0.975 7.745) 7.826 15.375 ( 8.670 -7.829 2.203) 11.887 15.552 ( -7.704 6.250 -1.170) 9.989 15.558 ( 1.940 -1.514 4.840) 5.430 15.731 ( 1.891 -8.794 4.244) 9.946 15.888 ( -5.867 6.255 8.997) 12.429 16.084 ( -1.131 -6.766 -4.587) 8.252 16.276 ( -0.483 2.837 0.051) 2.878 16.312 ( 1.203 3.247 -3.317) 4.795 16.536 ( -5.161 -1.980 -8.597) 10.220 16.662 ( -1.464 -0.382 0.588) 1.623 16.766 ( 0.927 2.140 -1.893) 3.004 16.794 ( 0.912 1.064 -0.087) 1.404 16.889 ( -0.572 -0.144 -2.139) 2.219 17.015 ( -0.200 0.324 6.330) 6.342 17.057 ( -0.991 -0.417 9.904) 9.962 17.463 ( 0.567 1.705 4.082) 4.460 17.655 ( -1.755 -2.362 1.634) 3.366 ======================= Grid point 114 (43/60) ======================= q-point: ( 0.29 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 5.039 2.477 14.052) 15.133 1.155 ( 3.469 8.390 12.772) 15.670 1.359 ( -3.813 -2.849 6.050) 7.698 1.419 ( -2.145 1.593 7.808) 8.253 1.621 ( 1.345 0.020 -8.548) 8.653 1.641 ( -0.900 -2.901 1.744) 3.503 1.739 ( 3.379 -0.034 -3.712) 5.020 1.772 ( 5.457 0.933 -5.830) 8.040 1.831 ( 1.260 -2.437 1.264) 3.020 1.911 ( -0.499 3.216 0.471) 3.288 2.054 ( 3.193 -2.066 4.441) 5.847 2.104 ( -0.830 -0.881 -0.094) 1.214 2.204 ( 0.167 1.031 -3.921) 4.057 2.310 ( 4.932 -0.627 7.989) 9.410 2.387 ( -0.719 -6.383 -0.536) 6.446 2.450 ( 2.283 -8.850 1.055) 9.200 2.633 ( -2.059 -2.951 -1.738) 3.996 2.673 ( -1.987 -3.242 -0.179) 3.807 2.725 ( 4.788 2.479 -1.434) 5.579 2.911 ( 10.292 1.683 1.118) 10.488 2.993 ( 0.797 -3.710 0.895) 3.899 3.148 ( 5.327 -6.490 -3.206) 8.987 3.249 ( 4.256 0.884 1.965) 4.770 3.384 ( 0.494 0.654 6.779) 6.828 3.508 ( 2.538 1.136 -3.370) 4.369 3.545 ( 1.195 -5.779 -4.587) 7.474 3.575 ( 0.866 -0.725 -3.948) 4.107 3.673 ( -1.394 -2.238 -5.670) 6.253 3.880 ( -3.526 -1.404 28.202) 28.457 3.905 ( -2.185 -3.223 32.500) 32.732 4.490 ( 1.395 8.952 1.338) 9.158 4.607 ( -1.566 7.301 1.175) 7.559 4.835 ( 0.269 5.018 -6.978) 8.599 4.853 ( -0.106 5.031 -7.295) 8.862 5.021 ( 0.097 1.234 -14.608) 14.660 5.166 ( -1.815 -1.428 -24.786) 24.894 5.885 ( 3.531 2.672 21.522) 21.973 6.201 ( -3.494 -4.278 4.840) 7.344 6.326 ( -1.833 1.070 -1.438) 2.564 6.434 ( -3.224 1.265 4.239) 5.474 6.753 ( -3.728 0.401 -5.588) 6.729 6.848 ( -5.664 0.980 -9.830) 11.387 7.067 ( -0.278 -2.393 -25.478) 25.591 7.241 ( -4.576 -3.475 -0.601) 5.777 8.709 ( 4.450 4.020 6.189) 8.617 9.103 ( -3.221 -5.873 4.294) 7.957 9.333 ( -1.230 4.171 11.620) 12.407 9.506 ( -3.347 -0.955 14.502) 14.914 10.660 ( 3.429 8.340 -10.183) 13.602 10.924 ( -2.898 6.383 -12.787) 14.583 11.397 ( -0.355 -8.391 -9.494) 12.675 11.491 ( -2.639 -4.432 -8.794) 10.196 13.578 ( 5.363 3.139 11.380) 12.966 13.804 ( -1.220 -2.723 8.791) 9.284 14.013 ( -1.002 3.514 7.907) 8.710 14.119 ( 1.587 -0.224 8.559) 8.708 14.169 ( -2.057 -1.896 5.784) 6.425 14.275 ( -0.670 1.363 3.582) 3.891 14.341 ( -0.514 -0.478 6.282) 6.321 14.417 ( 3.590 0.445 -3.963) 5.366 14.721 ( 0.143 1.156 -18.012) 18.050 14.843 ( 0.442 3.618 -7.307) 8.166 14.873 ( 0.720 2.624 -5.631) 6.254 14.993 ( -1.452 -2.055 -8.161) 8.540 15.039 ( -0.578 -1.187 -8.535) 8.636 15.094 ( -0.691 1.502 -4.788) 5.066 15.223 ( -0.894 1.471 6.745) 6.961 15.349 ( -10.860 6.036 -0.672) 12.443 15.542 ( 4.554 -6.281 10.749) 13.256 15.602 ( 4.728 -5.388 4.876) 8.669 15.720 ( -4.412 1.852 1.139) 4.919 15.863 ( 5.213 -6.932 5.660) 10.356 16.039 ( -3.448 -10.213 -4.135) 11.546 16.240 ( -2.873 -2.693 -1.186) 4.112 16.319 ( -0.587 0.990 -6.211) 6.317 16.425 ( -5.052 0.139 -7.465) 9.015 16.658 ( 1.222 3.722 1.270) 4.118 16.771 ( -0.101 3.400 -1.836) 3.866 16.798 ( -0.920 2.174 0.825) 2.501 16.862 ( -2.020 2.065 -3.004) 4.167 17.011 ( -0.069 0.576 8.035) 8.056 17.035 ( -0.961 0.289 10.152) 10.201 17.481 ( 1.277 1.295 4.011) 4.404 17.609 ( -2.520 -1.481 2.477) 3.831 ======================= Grid point 115 (44/60) ======================= q-point: ( 0.43 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 6.909 1.019 11.475) 13.433 1.246 ( 4.162 6.089 10.344) 12.704 1.256 ( -5.165 -0.897 9.473) 10.826 1.350 ( -4.522 3.775 10.541) 12.075 1.636 ( 0.379 -2.372 -1.634) 2.905 1.641 ( 0.284 -1.447 -4.633) 4.862 1.786 ( 1.709 1.323 -2.202) 3.085 1.819 ( -1.536 1.945 0.358) 2.504 1.909 ( 6.372 0.729 -4.077) 7.600 1.947 ( 2.772 -1.497 -5.357) 6.215 2.034 ( -2.400 1.043 -2.554) 3.657 2.064 ( -4.029 0.926 -3.745) 5.578 2.264 ( 4.509 -4.214 0.145) 6.173 2.342 ( -2.758 -6.038 -1.346) 6.773 2.427 ( 4.861 -4.669 4.119) 7.899 2.486 ( 0.066 -7.462 1.628) 7.638 2.587 ( -0.899 -4.089 0.041) 4.187 2.620 ( -2.886 -3.487 2.322) 5.087 2.844 ( 6.040 1.016 -1.182) 6.238 2.951 ( -4.107 -1.411 -0.980) 4.451 3.103 ( 8.252 2.648 3.609) 9.388 3.224 ( -1.179 0.389 2.277) 2.594 3.318 ( 1.445 -0.791 2.611) 3.087 3.340 ( -0.249 0.177 3.544) 3.557 3.541 ( -0.318 -3.519 0.454) 3.562 3.561 ( -2.007 -2.355 -4.290) 5.289 3.638 ( 6.058 -3.370 -5.864) 9.079 3.681 ( 1.366 -3.103 -5.509) 6.469 3.819 ( -1.531 -1.301 28.611) 28.681 3.850 ( -3.235 -3.072 30.991) 31.310 4.526 ( 2.080 8.414 1.605) 8.814 4.569 ( -2.055 7.832 1.849) 8.305 4.841 ( 0.300 5.298 -6.911) 8.713 4.848 ( -0.363 5.304 -6.899) 8.710 5.044 ( 2.283 0.079 -21.413) 21.535 5.108 ( -3.528 -0.850 -24.973) 25.235 5.981 ( 5.768 3.189 13.588) 15.102 6.107 ( -5.878 1.061 6.676) 8.958 6.309 ( 0.416 1.511 0.227) 1.584 6.351 ( -3.713 2.105 4.921) 6.514 6.727 ( 1.294 -2.397 -2.817) 3.918 6.774 ( -2.634 -1.550 -7.710) 8.293 7.071 ( 1.240 -3.489 -22.665) 22.965 7.135 ( -4.853 -4.004 -11.826) 13.396 8.828 ( 6.990 1.950 6.138) 9.505 8.982 ( -7.604 -1.347 5.014) 9.207 9.358 ( 2.952 1.166 12.501) 12.898 9.431 ( -3.831 -0.327 13.302) 13.846 10.745 ( 4.763 7.234 -10.562) 13.659 10.845 ( -4.694 6.467 -11.487) 13.993 11.404 ( 1.135 -6.568 -9.813) 11.863 11.440 ( -2.222 -5.220 -9.658) 11.201 13.685 ( 4.765 1.802 9.703) 10.959 13.764 ( -2.887 -0.235 8.463) 8.945 14.021 ( 2.021 1.675 7.280) 7.739 14.088 ( -3.993 -0.886 5.115) 6.549 14.173 ( 2.466 -1.411 10.818) 11.185 14.230 ( -2.972 -1.268 12.113) 12.537 14.380 ( 3.320 2.365 -2.246) 4.654 14.439 ( -1.605 2.248 -2.967) 4.054 14.760 ( 3.477 -1.338 -12.616) 13.155 14.829 ( -2.478 0.096 -6.723) 7.165 14.921 ( 3.972 5.435 -2.737) 7.267 14.975 ( -0.762 -0.509 -7.680) 7.735 15.036 ( 0.832 0.456 -8.991) 9.041 15.094 ( -1.573 3.906 -4.929) 6.483 15.155 ( -4.516 5.063 -4.899) 8.368 15.183 ( -3.320 2.035 2.094) 4.421 15.571 ( 1.002 -0.801 15.936) 15.988 15.613 ( -3.250 1.130 10.458) 11.009 15.783 ( 8.388 -11.947 -0.350) 14.602 15.938 ( -6.406 -12.786 -2.150) 14.461 16.003 ( 7.462 -10.142 0.382) 12.597 16.147 ( -6.187 -9.193 0.125) 11.082 16.316 ( 0.633 3.596 -9.861) 10.515 16.347 ( -2.515 2.922 -8.995) 9.786 16.700 ( 2.567 4.782 1.798) 5.718 16.755 ( -2.629 3.699 1.720) 4.853 16.779 ( 0.916 3.616 -2.096) 4.279 16.815 ( -2.328 3.555 -2.140) 4.758 17.013 ( 0.241 0.962 9.391) 9.443 17.021 ( -0.501 0.949 9.782) 9.841 17.514 ( 1.906 0.612 3.766) 4.265 17.558 ( -2.376 -0.366 3.274) 4.062 ======================= Grid point 119 (45/60) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 10.744 8.405) 13.641 1.221 ( 0.000 0.885 11.818) 11.851 1.421 ( 0.000 2.610 -2.076) 3.335 1.486 ( 0.000 -0.161 -0.206) 0.262 1.534 ( 0.000 1.126 -3.150) 3.345 1.576 ( 0.000 -6.845 -1.762) 7.068 1.634 ( 0.000 0.024 10.539) 10.539 1.655 ( 0.000 1.160 -2.668) 2.910 1.710 ( 0.000 -6.185 13.409) 14.766 1.731 ( 0.000 -4.307 0.338) 4.320 2.135 ( 0.000 4.770 5.674) 7.413 2.151 ( 0.000 0.771 4.088) 4.160 2.212 ( 0.000 0.307 -0.565) 0.643 2.239 ( 0.000 -2.762 -0.990) 2.934 2.298 ( 0.000 -2.000 1.705) 2.628 2.309 ( 0.000 0.432 7.676) 7.688 2.549 ( 0.000 3.450 -4.924) 6.013 2.624 ( 0.000 -1.277 -2.282) 2.615 2.684 ( 0.000 -0.541 -2.837) 2.888 2.711 ( 0.000 -4.530 -4.819) 6.614 2.742 ( 0.000 -1.109 -5.373) 5.486 2.809 ( 0.000 -7.821 -4.884) 9.221 3.185 ( 0.000 2.826 3.159) 4.239 3.255 ( 0.000 -3.291 1.829) 3.765 3.416 ( 0.000 -1.288 -6.842) 6.962 3.439 ( 0.000 -2.161 -5.730) 6.124 3.675 ( 0.000 1.074 0.775) 1.325 3.684 ( 0.000 -0.540 2.167) 2.233 3.941 ( 0.000 0.378 35.221) 35.223 3.950 ( 0.000 -0.198 31.051) 31.052 4.656 ( 0.000 7.127 -1.158) 7.220 4.731 ( 0.000 0.543 -1.826) 1.905 4.924 ( 0.000 3.167 -8.225) 8.814 4.937 ( 0.000 2.205 -7.947) 8.248 5.094 ( 0.000 2.873 -10.995) 11.364 5.146 ( 0.000 -1.941 -16.912) 17.023 5.902 ( 0.000 5.731 21.757) 22.499 6.070 ( 0.000 -9.765 13.636) 16.772 6.411 ( 0.000 1.118 -1.546) 1.908 6.441 ( 0.000 -1.617 -4.105) 4.412 6.918 ( 0.000 1.604 -15.928) 16.009 6.960 ( 0.000 -2.344 -21.366) 21.494 7.251 ( 0.000 1.775 3.311) 3.757 7.266 ( 0.000 0.332 4.807) 4.818 8.779 ( 0.000 8.195 2.591) 8.595 8.955 ( 0.000 -8.012 2.851) 8.504 9.494 ( 0.000 2.704 13.908) 14.168 9.544 ( 0.000 -2.030 16.303) 16.429 10.852 ( 0.000 14.092 -11.224) 18.015 11.156 ( 0.000 -14.016 -10.763) 17.672 11.169 ( 0.000 11.084 -10.975) 15.598 11.404 ( 0.000 -10.206 -8.311) 13.162 13.559 ( 0.000 6.263 13.531) 14.910 13.696 ( 0.000 -6.430 13.155) 14.642 14.115 ( 0.000 2.882 7.200) 7.756 14.162 ( 0.000 -1.085 8.439) 8.509 14.200 ( 0.000 5.426 5.298) 7.584 14.286 ( 0.000 -1.142 -11.656) 11.712 14.328 ( 0.000 0.287 -1.851) 1.873 14.339 ( 0.000 -2.166 11.557) 11.759 14.807 ( 0.000 2.367 -14.988) 15.174 14.840 ( 0.000 1.073 -15.594) 15.631 14.894 ( 0.000 1.966 -13.069) 13.216 14.966 ( 0.000 -3.948 -15.194) 15.699 15.082 ( 0.000 -1.191 0.883) 1.483 15.121 ( 0.000 -5.078 0.081) 5.078 15.165 ( 0.000 1.079 0.177) 1.094 15.193 ( 0.000 -1.370 0.243) 1.391 15.516 ( 0.000 0.193 11.741) 11.743 15.561 ( 0.000 -4.648 15.617) 16.294 15.784 ( 0.000 7.696 -0.863) 7.745 15.949 ( 0.000 -7.611 -2.388) 7.977 16.144 ( 0.000 8.124 1.179) 8.209 16.272 ( 0.000 -3.024 -0.385) 3.048 16.433 ( 0.000 5.283 -3.859) 6.543 16.528 ( 0.000 -3.866 -6.783) 7.808 16.686 ( 0.000 0.985 1.137) 1.504 16.720 ( 0.000 -1.689 1.412) 2.201 16.819 ( 0.000 1.841 -4.426) 4.794 16.857 ( 0.000 -1.758 -3.138) 3.597 17.028 ( 0.000 0.792 6.737) 6.784 17.049 ( 0.000 -1.072 8.208) 8.277 17.515 ( 0.000 3.563 3.106) 4.727 17.599 ( 0.000 -4.054 2.028) 4.533 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.14 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.104 9.786 10.456) 14.321 1.248 ( 1.451 -2.174 10.348) 10.673 1.376 ( -1.846 5.938 3.465) 7.119 1.500 ( -0.112 4.335 2.780) 5.151 1.564 ( 0.338 -6.136 3.428) 7.037 1.607 ( 0.387 -1.804 -1.451) 2.347 1.623 ( 3.794 -2.479 -5.616) 7.216 1.695 ( -0.036 -5.698 1.544) 5.903 1.709 ( 4.006 2.153 0.709) 4.603 1.785 ( 5.196 -4.866 6.472) 9.621 2.100 ( -2.607 5.066 4.149) 7.048 2.156 ( -0.274 1.261 2.363) 2.692 2.215 ( 0.328 -0.833 -0.393) 0.978 2.244 ( -0.283 -2.324 -0.189) 2.348 2.289 ( -0.775 -2.508 -1.168) 2.873 2.307 ( 0.053 -0.979 7.792) 7.853 2.606 ( 2.148 0.762 -1.103) 2.532 2.637 ( -0.114 -1.669 -2.275) 2.824 2.691 ( 2.182 1.069 -4.038) 4.713 2.747 ( 6.251 -1.024 -2.169) 6.696 2.813 ( 5.261 -2.870 -3.317) 6.849 2.872 ( 5.677 -6.733 -3.678) 9.544 3.212 ( 2.472 2.164 0.519) 3.326 3.272 ( 2.040 -3.198 -0.255) 3.802 3.439 ( 2.279 -0.306 -4.791) 5.314 3.470 ( 2.561 -2.151 -3.536) 4.867 3.639 ( -2.939 1.640 1.223) 3.581 3.668 ( -1.880 -1.344 0.223) 2.322 3.917 ( -2.255 0.150 33.737) 33.812 3.927 ( -2.290 -0.429 31.670) 31.756 4.657 ( 0.194 6.977 -0.892) 7.037 4.727 ( -0.322 0.860 -1.176) 1.492 4.926 ( 0.148 3.191 -8.009) 8.623 4.939 ( 0.163 2.191 -7.751) 8.056 5.084 ( -0.934 2.835 -12.737) 13.083 5.140 ( -0.591 -2.431 -18.318) 18.488 5.916 ( 1.488 5.579 20.865) 21.649 6.071 ( 0.266 -8.771 13.645) 16.222 6.397 ( -1.131 1.842 -2.203) 3.087 6.440 ( -0.289 -2.013 -2.513) 3.232 6.879 ( -3.394 2.498 -15.625) 16.183 6.941 ( -2.440 -3.088 -17.328) 17.769 7.164 ( -6.213 4.278 -2.327) 7.894 7.245 ( -3.417 -3.141 2.308) 5.183 8.789 ( 1.064 7.928 3.297) 8.651 8.962 ( 0.540 -8.017 3.065) 8.600 9.468 ( -2.326 3.137 13.747) 14.291 9.524 ( -1.866 -2.168 15.673) 15.932 10.860 ( 0.831 13.665 -10.952) 17.532 11.138 ( -1.730 -1.271 -10.043) 10.270 11.174 ( 0.542 -1.512 -11.517) 11.628 11.385 ( -1.719 -9.866 -8.699) 13.265 13.589 ( 2.718 5.681 13.069) 14.507 13.710 ( 1.266 -5.596 12.527) 13.779 14.103 ( -1.148 2.635 6.210) 6.843 14.155 ( -0.948 -1.978 7.765) 8.069 14.185 ( -1.244 5.321 6.557) 8.536 14.284 ( -0.826 -2.781 -2.199) 3.641 14.334 ( 0.280 -0.234 4.878) 4.891 14.344 ( 1.977 -0.148 -2.352) 3.076 14.794 ( -0.755 3.650 -15.211) 15.661 14.859 ( 1.014 -1.213 -14.102) 14.190 14.903 ( 0.754 2.718 -12.565) 12.877 14.973 ( 0.664 -3.519 -13.517) 13.983 15.052 ( -1.176 2.866 0.131) 3.101 15.155 ( 0.178 2.420 -1.122) 2.673 15.189 ( 4.358 -7.915 1.008) 9.091 15.219 ( 1.765 -1.949 2.847) 3.875 15.532 ( 1.248 -0.467 12.148) 12.221 15.570 ( 1.154 -4.903 10.937) 12.041 15.716 ( -6.310 8.791 -0.482) 10.832 15.909 ( -3.848 -9.032 -1.927) 10.005 16.054 ( -7.286 8.298 2.524) 11.328 16.217 ( -5.478 -6.400 0.249) 8.428 16.407 ( -1.732 4.271 -6.326) 7.827 16.483 ( -3.676 -3.006 -7.864) 9.186 16.706 ( 2.331 3.581 1.290) 4.463 16.770 ( 3.139 -1.873 1.294) 3.877 16.832 ( 0.982 2.416 -3.952) 4.735 16.875 ( 1.134 -1.370 -2.811) 3.326 17.026 ( -0.139 0.723 7.390) 7.427 17.043 ( -0.437 -0.833 8.646) 8.697 17.515 ( 0.028 3.170 3.267) 4.552 17.589 ( -0.894 -3.567 2.327) 4.352 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.29 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 2.544 7.537 10.680) 13.317 1.257 ( -0.506 -5.166 9.081) 10.460 1.369 ( 0.969 9.530 6.723) 11.703 1.485 ( -1.195 4.315 10.126) 11.072 1.556 ( 0.031 -5.550 3.179) 6.396 1.596 ( -1.138 -4.090 3.892) 5.760 1.729 ( 5.484 -1.092 -8.217) 9.939 1.750 ( 4.374 -2.205 -6.389) 8.051 1.812 ( 5.829 3.046 -4.203) 7.805 1.906 ( 4.974 -5.231 -1.035) 7.292 2.047 ( -1.687 4.436 4.598) 6.608 2.132 ( -1.996 0.906 0.108) 2.194 2.207 ( -1.787 -3.804 -0.855) 4.289 2.238 ( 1.017 -1.362 0.782) 1.871 2.266 ( -1.628 -2.741 -3.847) 4.996 2.321 ( 1.072 -3.792 6.570) 7.661 2.586 ( -2.484 -0.608 0.768) 2.670 2.609 ( -2.266 -2.327 0.731) 3.329 2.779 ( 4.784 3.293 -1.439) 5.984 2.880 ( 3.411 -5.837 -0.873) 6.817 2.961 ( 10.185 2.674 -0.767) 10.558 3.031 ( 9.265 -4.223 -2.402) 10.462 3.277 ( 3.669 1.851 -0.740) 4.176 3.337 ( 3.214 -3.735 -0.367) 4.941 3.501 ( 2.803 0.957 -0.082) 2.963 3.520 ( 1.693 -0.211 -3.872) 4.231 3.576 ( -2.163 0.797 -0.612) 2.385 3.613 ( -2.779 -2.687 -1.428) 4.121 3.856 ( -3.495 -0.548 30.194) 30.401 3.864 ( -3.583 -0.967 32.572) 32.783 4.666 ( 0.674 6.348 -0.018) 6.384 4.718 ( -0.612 1.851 0.432) 1.997 4.932 ( 0.474 3.193 -7.638) 8.292 4.943 ( 0.265 2.350 -7.241) 7.618 5.061 ( -1.080 2.406 -17.463) 17.661 5.118 ( -1.605 -2.815 -21.624) 21.866 5.969 ( 3.805 5.055 18.099) 19.173 6.088 ( 1.450 -5.841 13.444) 14.730 6.371 ( -1.271 2.583 -1.296) 3.157 6.423 ( -1.538 -1.959 0.620) 2.566 6.789 ( -5.376 2.821 -8.975) 10.836 6.849 ( -6.075 -1.816 -8.476) 10.585 7.051 ( -3.979 2.131 -18.313) 18.861 7.142 ( -5.880 -5.333 -6.647) 10.353 8.824 ( 2.322 6.451 4.757) 8.344 8.967 ( -0.341 -6.825 3.954) 7.895 9.414 ( -2.398 3.402 13.223) 13.862 9.473 ( -2.883 -2.143 14.222) 14.668 10.889 ( 2.007 12.389 -10.325) 16.252 11.087 ( -3.167 4.371 -9.569) 10.987 11.194 ( 1.391 -6.372 -11.567) 13.279 11.340 ( -2.612 -9.265 -9.603) 13.597 13.658 ( 3.755 4.063 11.636) 12.884 13.739 ( 1.323 -3.456 10.784) 11.401 14.074 ( -1.478 2.082 4.930) 5.552 14.119 ( -2.393 -2.270 4.252) 5.382 14.161 ( -0.866 3.717 11.211) 11.843 14.245 ( -2.593 -3.473 10.099) 10.990 14.368 ( 2.981 2.313 -1.087) 3.926 14.411 ( 4.092 -1.335 -2.388) 4.922 14.774 ( -1.374 3.760 -14.619) 15.157 14.858 ( -1.608 -3.352 -12.203) 12.757 14.922 ( 1.303 2.699 -11.610) 11.991 14.987 ( 0.389 -3.220 -11.819) 12.256 15.057 ( 2.097 8.671 -0.159) 8.923 15.172 ( 1.488 4.831 -0.216) 5.060 15.242 ( 0.696 -0.943 7.077) 7.174 15.288 ( 3.933 -11.075 2.693) 12.057 15.537 ( -3.575 4.217 8.199) 9.889 15.576 ( -2.797 4.787 1.730) 5.808 15.619 ( 2.863 -6.051 -1.666) 6.898 15.799 ( -6.807 -11.654 -1.153) 13.545 15.900 ( -6.625 6.966 7.122) 11.964 16.078 ( -7.403 -9.235 1.905) 11.988 16.379 ( -0.880 2.482 -10.198) 10.532 16.414 ( -2.564 -0.989 -10.398) 10.755 16.757 ( 2.055 4.205 1.739) 4.993 16.812 ( 0.732 -0.903 2.084) 2.387 16.845 ( 0.185 2.978 -2.609) 3.963 16.883 ( -0.392 -0.395 -2.089) 2.161 17.027 ( 0.350 0.770 8.709) 8.750 17.038 ( 0.027 -0.164 9.013) 9.014 17.519 ( 0.373 2.162 3.508) 4.137 17.568 ( -1.103 -2.285 2.931) 3.877 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.43 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 3.391 3.416 9.041) 10.242 1.231 ( -2.091 -1.761 8.182) 8.626 1.405 ( 2.348 8.345 8.403) 12.073 1.453 ( -2.053 5.658 10.007) 11.678 1.565 ( 0.641 -4.869 4.306) 6.532 1.578 ( -0.634 -4.846 4.279) 6.496 1.814 ( 3.183 1.510 -5.868) 6.844 1.840 ( 2.485 -0.232 -6.649) 7.102 1.903 ( 1.935 -0.252 -7.264) 7.521 1.938 ( -0.218 -1.357 -3.546) 3.803 2.058 ( 1.569 2.091 0.721) 2.712 2.098 ( -1.196 1.640 1.502) 2.525 2.184 ( 0.399 -1.693 -3.607) 4.004 2.221 ( -2.473 -2.817 -4.990) 6.241 2.276 ( 2.703 -6.527 0.869) 7.118 2.327 ( -1.257 -7.090 3.120) 7.848 2.542 ( -0.984 -0.408 4.106) 4.242 2.559 ( -2.210 -1.959 4.532) 5.410 2.864 ( 3.283 1.245 -1.884) 3.985 2.905 ( -0.553 -2.490 -1.931) 3.199 3.165 ( 8.876 2.776 1.265) 9.386 3.211 ( 7.126 -1.528 -0.656) 7.317 3.320 ( -1.602 0.780 3.468) 3.899 3.338 ( -2.798 -0.621 3.360) 4.417 3.493 ( -0.126 -0.009 0.078) 0.149 3.520 ( -2.402 -1.734 -1.461) 3.303 3.596 ( 3.434 -0.460 -7.406) 8.177 3.618 ( 1.406 -2.308 -6.333) 6.886 3.789 ( -2.327 -1.014 30.833) 30.938 3.795 ( -2.660 -1.664 33.378) 33.525 4.684 ( 0.989 5.038 1.407) 5.324 4.703 ( -0.846 3.374 1.801) 3.917 4.942 ( 0.465 3.199 -7.011) 7.721 4.947 ( 0.039 2.888 -6.519) 7.130 5.052 ( 0.414 0.759 -23.253) 23.269 5.079 ( -1.978 -1.654 -24.421) 24.557 6.062 ( 4.683 3.844 14.446) 15.665 6.115 ( 0.172 -0.830 12.912) 12.939 6.351 ( -0.343 1.948 2.023) 2.829 6.376 ( -2.600 -0.109 4.552) 5.243 6.698 ( -1.870 0.379 -3.176) 3.705 6.733 ( -4.577 -2.175 -4.693) 6.907 7.007 ( -0.316 -1.363 -24.708) 24.748 7.040 ( -3.536 -3.994 -19.491) 20.208 8.881 ( 3.118 2.872 5.700) 7.103 8.940 ( -2.340 -2.521 5.280) 6.301 9.389 ( 0.112 1.532 12.622) 12.715 9.417 ( -2.384 -1.024 12.921) 13.178 10.942 ( 3.207 10.314 -9.740) 14.544 11.015 ( -3.739 7.606 -9.466) 12.706 11.231 ( 2.289 -7.991 -11.204) 13.951 11.284 ( -2.747 -8.746 -10.527) 13.959 13.725 ( 2.481 1.726 9.651) 10.113 13.753 ( -0.204 -0.864 9.094) 9.137 14.055 ( -0.118 1.190 4.168) 4.336 14.073 ( -1.805 -0.643 3.164) 3.700 14.159 ( 0.836 0.621 14.717) 14.754 14.193 ( -2.264 -2.014 14.323) 14.640 14.441 ( 3.575 2.939 -1.104) 4.758 14.476 ( 1.078 0.305 -0.316) 1.164 14.753 ( 0.305 1.044 -13.991) 14.033 14.800 ( -3.454 -2.570 -11.916) 12.670 14.955 ( 1.719 0.587 -11.590) 11.731 14.983 ( -0.834 -1.559 -11.249) 11.388 15.136 ( 5.335 9.383 0.349) 10.799 15.205 ( 1.259 5.054 3.811) 6.454 15.240 ( -0.805 1.870 8.017) 8.272 15.271 ( -5.493 2.466 3.667) 7.049 15.509 ( 3.969 -4.144 -0.362) 5.749 15.586 ( 0.504 -1.343 0.941) 1.716 15.643 ( -2.395 -2.052 -6.965) 7.646 15.659 ( -4.356 -11.151 -2.187) 12.170 15.841 ( 1.746 -2.249 11.571) 11.917 15.935 ( -6.336 -8.982 5.315) 12.210 16.372 ( 0.125 1.471 -12.579) 12.665 16.381 ( -0.829 0.539 -12.459) 12.498 16.785 ( 0.946 2.679 2.580) 3.837 16.805 ( -1.004 0.810 2.634) 2.933 16.849 ( 0.475 2.318 -0.701) 2.468 16.866 ( -1.041 0.827 -0.568) 1.446 17.037 ( 0.471 0.963 8.905) 8.969 17.041 ( 0.102 0.640 8.800) 8.823 17.530 ( 0.703 0.837 3.561) 3.725 17.547 ( -0.915 -0.684 3.380) 3.568 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.000 0.000 -0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 -0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.483 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 -0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 -0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 -0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 -0.000) 0.000 4.843 ( 0.000 0.000 -0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 -0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.724 ( 0.000 0.000 -0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.421 ( 0.000 0.000 0.000) 0.000 9.784 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.715 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 11.535 ( 0.000 0.000 0.000) 0.000 13.585 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 -0.000) 0.000 13.957 ( 0.000 0.000 0.000) 0.000 14.219 ( 0.000 0.000 0.000) 0.000 14.296 ( 0.000 0.000 0.000) 0.000 14.345 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 -0.000) 0.000 14.418 ( 0.000 0.000 0.000) 0.000 14.455 ( 0.000 0.000 0.000) 0.000 14.631 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 -0.000) 0.000 14.878 ( 0.000 0.000 0.000) 0.000 15.293 ( 0.000 0.000 -0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 15.302 ( 0.000 0.000 0.000) 0.000 15.341 ( 0.000 0.000 -0.000) 0.000 15.357 ( 0.000 0.000 -0.000) 0.000 15.473 ( 0.000 0.000 0.000) 0.000 16.012 ( 0.000 0.000 -0.000) 0.000 16.058 ( 0.000 0.000 0.000) 0.000 16.067 ( 0.000 0.000 -0.000) 0.000 16.192 ( 0.000 0.000 -0.000) 0.000 16.215 ( 0.000 0.000 0.000) 0.000 16.442 ( 0.000 0.000 0.000) 0.000 16.700 ( 0.000 0.000 0.000) 0.000 16.735 ( 0.000 0.000 0.000) 0.000 16.788 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 17.072 ( 0.000 0.000 0.000) 0.000 17.186 ( 0.000 0.000 0.000) 0.000 17.478 ( 0.000 0.000 0.000) 0.000 17.714 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 2.108 0.000 -0.000) 2.108 1.198 ( 7.380 0.000 0.000) 7.380 1.290 ( -1.861 0.000 0.000) 1.861 1.442 ( -3.233 0.000 -0.000) 3.233 1.558 ( 7.441 0.000 0.000) 7.441 1.596 ( 1.710 0.000 -0.000) 1.710 1.705 ( -3.751 0.000 0.000) 3.751 1.745 ( -4.823 0.000 0.000) 4.823 1.850 ( 2.258 0.000 -0.000) 2.258 1.954 ( -1.331 0.000 -0.000) 1.331 2.032 ( -2.149 0.000 0.000) 2.149 2.149 ( -2.401 0.000 -0.000) 2.401 2.258 ( 0.625 0.000 -0.000) 0.625 2.310 ( 5.366 0.000 0.000) 5.366 2.448 ( 7.510 0.000 -0.000) 7.510 2.498 ( -1.302 0.000 0.000) 1.302 2.578 ( 3.379 0.000 -0.000) 3.379 2.615 ( 1.592 0.000 0.000) 1.592 2.689 ( -3.348 0.000 -0.000) 3.348 2.768 ( 5.945 0.000 0.000) 5.945 2.944 ( 8.028 0.000 0.000) 8.028 3.150 ( 2.898 0.000 0.000) 2.898 3.218 ( -0.088 0.000 -0.000) 0.088 3.352 ( 5.086 0.000 -0.000) 5.086 3.359 ( 3.271 0.000 0.000) 3.271 3.505 ( -3.557 0.000 -0.000) 3.557 3.589 ( 1.006 0.000 0.000) 1.006 3.682 ( -2.616 0.000 0.000) 2.616 4.371 ( 0.565 0.000 0.000) 0.565 4.457 ( -0.582 0.000 0.000) 0.582 4.507 ( -1.493 0.000 0.000) 1.493 4.548 ( -0.565 0.000 0.000) 0.565 4.666 ( -1.368 0.000 -0.000) 1.368 4.693 ( 0.400 0.000 -0.000) 0.400 4.754 ( -0.538 0.000 -0.000) 0.538 4.816 ( -2.662 0.000 -0.000) 2.662 6.205 ( -2.813 0.000 0.000) 2.813 6.380 ( 1.518 0.000 0.000) 1.518 6.385 ( -7.275 0.000 -0.000) 7.275 6.444 ( 2.412 0.000 0.000) 2.412 6.643 ( -2.416 0.000 -0.000) 2.416 6.751 ( 1.355 0.000 0.000) 1.355 6.958 ( -13.436 0.000 0.000) 13.436 7.365 ( 1.112 0.000 0.000) 1.112 8.668 ( 2.265 0.000 0.000) 2.265 9.330 ( 2.266 0.000 0.000) 2.266 9.370 ( -4.862 0.000 0.000) 4.862 9.758 ( -2.509 0.000 0.000) 2.509 10.400 ( 1.944 0.000 -0.000) 1.944 10.713 ( -0.348 0.000 -0.000) 0.348 11.438 ( -0.749 0.000 -0.000) 0.749 11.498 ( -3.282 0.000 0.000) 3.282 13.611 ( 2.525 0.000 0.000) 2.525 13.948 ( -0.930 0.000 -0.000) 0.930 13.990 ( 3.391 0.000 0.000) 3.391 14.225 ( 0.327 0.000 0.000) 0.327 14.287 ( -0.615 0.000 0.000) 0.615 14.290 ( -1.716 0.000 -0.000) 1.716 14.380 ( -1.935 0.000 0.000) 1.935 14.446 ( 2.662 0.000 -0.000) 2.662 14.547 ( 7.009 0.000 0.000) 7.009 14.594 ( -3.497 0.000 0.000) 3.497 14.653 ( 1.357 0.000 -0.000) 1.357 14.887 ( 0.872 0.000 -0.000) 0.872 15.123 ( -7.578 0.000 0.000) 7.578 15.144 ( -7.303 0.000 -0.000) 7.303 15.342 ( -1.674 0.000 0.000) 1.674 15.406 ( -6.738 0.000 -0.000) 6.738 15.514 ( 10.960 0.000 0.000) 10.960 15.517 ( 10.056 0.000 -0.000) 10.056 15.964 ( -6.028 0.000 -0.000) 6.028 16.014 ( 0.295 0.000 -0.000) 0.295 16.046 ( -0.961 0.000 0.000) 0.961 16.162 ( -4.565 0.000 0.000) 4.565 16.283 ( 5.184 0.000 -0.000) 5.184 16.433 ( -1.283 0.000 0.000) 1.283 16.681 ( -1.858 0.000 0.000) 1.858 16.732 ( -0.336 0.000 0.000) 0.336 16.785 ( -0.351 0.000 0.000) 0.351 16.870 ( -3.450 0.000 0.000) 3.450 17.075 ( 0.306 0.000 0.000) 0.306 17.175 ( -1.025 0.000 0.000) 1.025 17.485 ( 0.661 0.000 -0.000) 0.661 17.695 ( -1.744 0.000 0.000) 1.744 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 4.167 0.000 -0.000) 4.167 1.302 ( 3.113 0.000 0.000) 3.113 1.382 ( 9.573 0.000 0.000) 9.573 1.392 ( -0.990 0.000 -0.000) 0.990 1.615 ( -0.254 0.000 -0.000) 0.254 1.617 ( -4.779 0.000 0.000) 4.779 1.619 ( -6.908 0.000 -0.000) 6.908 1.714 ( 6.702 0.000 0.000) 6.702 1.892 ( 1.853 0.000 -0.000) 1.853 1.918 ( -1.758 0.000 -0.000) 1.758 1.995 ( -1.624 0.000 0.000) 1.624 2.089 ( -3.232 0.000 0.000) 3.232 2.296 ( 2.722 0.000 -0.000) 2.722 2.420 ( 4.804 0.000 0.000) 4.804 2.465 ( -1.878 0.000 0.000) 1.878 2.571 ( 4.580 0.000 -0.000) 4.580 2.629 ( -2.759 0.000 0.000) 2.759 2.648 ( 1.386 0.000 -0.000) 1.386 2.682 ( 6.597 0.000 -0.000) 6.597 2.931 ( 9.088 0.000 0.000) 9.088 3.047 ( -0.377 0.000 0.000) 0.377 3.233 ( 5.003 0.000 -0.000) 5.003 3.259 ( 6.027 0.000 0.000) 6.027 3.406 ( -5.961 0.000 0.000) 5.961 3.446 ( 4.575 0.000 0.000) 4.575 3.513 ( 9.771 0.000 -0.000) 9.771 3.602 ( -5.130 0.000 0.000) 5.130 3.614 ( 1.622 0.000 0.000) 1.622 4.390 ( 1.204 0.000 0.000) 1.204 4.452 ( 0.378 0.000 0.000) 0.378 4.457 ( -3.206 0.000 0.000) 3.206 4.531 ( -1.044 0.000 0.000) 1.044 4.617 ( -3.305 0.000 -0.000) 3.305 4.705 ( 0.773 0.000 -0.000) 0.773 4.729 ( -5.976 0.000 -0.000) 5.976 4.747 ( -0.163 0.000 -0.000) 0.163 6.140 ( -3.136 0.000 -0.000) 3.136 6.229 ( -7.185 0.000 0.000) 7.185 6.368 ( -2.755 0.000 -0.000) 2.755 6.509 ( 3.960 0.000 0.000) 3.960 6.671 ( -13.657 0.000 0.000) 13.657 6.675 ( 6.641 0.000 -0.000) 6.641 6.751 ( -1.500 0.000 0.000) 1.500 7.308 ( -6.543 0.000 0.000) 6.543 8.744 ( 5.284 0.000 0.000) 5.284 9.233 ( -8.129 0.000 0.000) 8.129 9.395 ( 3.926 0.000 0.000) 3.926 9.687 ( -4.311 0.000 0.000) 4.311 10.458 ( 3.677 0.000 0.000) 3.677 10.693 ( -1.815 0.000 -0.000) 1.815 11.416 ( -1.337 0.000 -0.000) 1.337 11.425 ( -3.258 0.000 0.000) 3.258 13.683 ( 4.360 0.000 0.000) 4.360 13.918 ( -2.041 0.000 -0.000) 2.041 14.043 ( 1.427 0.000 -0.000) 1.427 14.205 ( -2.619 0.000 0.000) 2.619 14.297 ( 1.873 0.000 0.000) 1.873 14.331 ( 5.532 0.000 -0.000) 5.532 14.346 ( -1.255 0.000 0.000) 1.255 14.481 ( 1.307 0.000 -0.000) 1.307 14.499 ( -5.477 0.000 0.000) 5.477 14.692 ( 2.268 0.000 -0.000) 2.268 14.721 ( 9.670 0.000 0.000) 9.670 14.909 ( 1.149 0.000 0.000) 1.149 14.990 ( -5.472 0.000 0.000) 5.472 15.024 ( -4.273 0.000 -0.000) 4.273 15.204 ( -12.347 0.000 0.000) 12.347 15.277 ( -5.007 0.000 0.000) 5.007 15.726 ( 9.342 0.000 -1.497) 9.462 15.726 ( 9.514 0.000 1.497) 9.631 15.874 ( -2.739 0.000 -0.000) 2.739 16.030 ( 1.444 0.000 -0.000) 1.444 16.039 ( 1.252 0.000 0.000) 1.252 16.062 ( -4.580 0.000 0.000) 4.580 16.353 ( 0.943 0.000 -0.000) 0.943 16.376 ( -4.479 0.000 0.000) 4.479 16.639 ( -1.390 0.000 0.000) 1.390 16.719 ( -0.894 0.000 0.000) 0.894 16.767 ( -1.609 0.000 0.000) 1.609 16.784 ( -4.397 0.000 -0.000) 4.397 17.085 ( 0.624 0.000 0.000) 0.624 17.149 ( -1.413 0.000 0.000) 1.413 17.506 ( 1.468 0.000 -0.000) 1.468 17.649 ( -2.620 0.000 0.000) 2.620 ======================= Grid point 146 (52/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 5.703 0.000 -0.000) 5.703 1.400 ( 5.823 0.000 0.000) 5.823 1.406 ( 1.135 0.000 -0.000) 1.135 1.484 ( -5.042 0.000 -0.000) 5.042 1.497 ( -1.565 0.000 -0.000) 1.565 1.516 ( -4.781 0.000 0.000) 4.781 1.638 ( 5.413 0.000 0.000) 5.413 1.753 ( -3.583 0.000 0.000) 3.583 1.927 ( 1.668 0.000 -0.000) 1.668 1.937 ( 3.945 0.000 -0.000) 3.945 1.961 ( -1.696 0.000 0.000) 1.696 2.020 ( -3.671 0.000 0.000) 3.671 2.359 ( 3.201 0.000 -0.000) 3.201 2.419 ( -2.647 0.000 0.000) 2.647 2.504 ( 3.585 0.000 0.000) 3.585 2.571 ( -3.021 0.000 0.000) 3.021 2.640 ( 2.263 0.000 0.000) 2.263 2.663 ( -0.061 0.000 0.000) 0.061 2.828 ( 7.303 0.000 -0.000) 7.303 2.967 ( -6.004 0.000 0.000) 6.004 3.111 ( 8.302 0.000 0.000) 8.302 3.270 ( -7.277 0.000 0.000) 7.277 3.349 ( 6.270 0.000 -0.000) 6.270 3.404 ( 6.398 0.000 0.000) 6.398 3.481 ( -6.474 0.000 -0.000) 6.474 3.489 ( -1.369 0.000 0.000) 1.369 3.673 ( 3.753 0.000 0.000) 3.753 3.683 ( 4.618 0.000 0.000) 4.618 4.411 ( -0.225 0.000 0.000) 0.225 4.414 ( 0.823 0.000 -0.000) 0.823 4.479 ( 2.371 0.000 0.000) 2.371 4.514 ( 0.021 0.000 -0.000) 0.021 4.543 ( -3.624 0.000 0.000) 3.624 4.586 ( -6.974 0.000 0.000) 6.974 4.723 ( 0.952 0.000 0.000) 0.952 4.740 ( -0.620 0.000 -0.000) 0.620 6.095 ( -0.903 0.000 -0.000) 0.903 6.118 ( -3.339 0.000 0.000) 3.339 6.337 ( 1.114 0.000 0.000) 1.114 6.436 ( -8.609 0.000 0.000) 8.609 6.600 ( 4.749 0.000 0.000) 4.749 6.693 ( -3.984 0.000 -0.000) 3.984 6.875 ( 11.754 0.000 0.000) 11.754 7.119 ( -11.373 0.000 0.000) 11.373 8.880 ( 7.833 0.000 0.000) 7.833 9.054 ( -9.012 0.000 0.000) 9.012 9.486 ( 4.896 0.000 0.000) 4.896 9.589 ( -5.095 0.000 0.000) 5.095 10.544 ( 4.596 0.000 0.000) 4.596 10.634 ( -3.877 0.000 -0.000) 3.877 11.382 ( -0.753 0.000 0.000) 0.753 11.389 ( -1.093 0.000 0.000) 1.093 13.779 ( 4.700 0.000 0.000) 4.700 13.863 ( -3.422 0.000 -0.000) 3.422 14.074 ( 2.205 0.000 -0.000) 2.205 14.136 ( -3.602 0.000 0.000) 3.602 14.339 ( 0.923 0.000 -0.000) 0.923 14.349 ( 2.858 0.000 0.000) 2.858 14.393 ( -4.286 0.000 0.000) 4.286 14.396 ( -0.895 0.000 0.000) 0.895 14.587 ( 9.668 0.000 0.000) 9.668 14.725 ( -0.628 0.000 -0.000) 0.628 14.901 ( -2.898 0.000 -0.000) 2.898 14.910 ( 6.250 0.000 0.000) 6.250 14.929 ( 0.676 0.000 0.000) 0.676 14.952 ( -10.069 0.000 -0.000) 10.069 14.984 ( 2.251 0.000 0.000) 2.251 15.137 ( -8.388 0.000 -0.000) 8.388 15.829 ( 1.656 0.000 -0.000) 1.656 15.843 ( -0.579 0.000 -0.000) 0.579 15.901 ( 6.177 0.000 0.000) 6.177 15.985 ( -3.200 0.000 0.000) 3.200 16.096 ( 5.801 0.000 -0.000) 5.801 16.136 ( 7.803 0.000 0.000) 7.803 16.248 ( -7.755 0.000 0.000) 7.755 16.295 ( -6.361 0.000 0.000) 6.361 16.653 ( 2.598 0.000 0.000) 2.598 16.702 ( -0.451 0.000 0.000) 0.451 16.715 ( -1.977 0.000 -0.000) 1.977 16.718 ( -3.104 0.000 -0.000) 3.104 17.100 ( 0.896 0.000 0.000) 0.896 17.121 ( -1.192 0.000 0.000) 1.192 17.544 ( 2.196 0.000 -0.000) 2.196 17.594 ( -2.648 0.000 0.000) 2.648 ======================= Grid point 154 (53/60) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 2.668 0.000) 2.668 1.176 ( 0.000 3.776 -0.000) 3.776 1.372 ( 0.000 3.054 -0.000) 3.054 1.483 ( 0.000 2.176 0.000) 2.176 1.506 ( 0.000 -4.697 0.000) 4.697 1.510 ( 0.000 2.715 -0.000) 2.715 1.711 ( 0.000 -4.276 0.000) 4.276 1.781 ( 0.000 -1.598 0.000) 1.598 1.793 ( 0.000 -1.041 0.000) 1.041 2.075 ( 0.000 8.031 0.000) 8.031 2.095 ( 0.000 0.913 0.000) 0.913 2.163 ( 0.000 -0.911 -0.000) 0.911 2.192 ( 0.000 -8.866 0.000) 8.866 2.229 ( 0.000 -0.988 -0.000) 0.988 2.295 ( 0.000 -1.181 0.000) 1.181 2.498 ( 0.000 -3.453 -0.000) 3.453 2.515 ( 0.000 1.039 0.000) 1.039 2.569 ( 0.000 -1.219 0.000) 1.219 2.690 ( 0.000 -1.569 0.000) 1.569 2.729 ( 0.000 -6.941 -0.000) 6.941 2.773 ( 0.000 -0.653 0.000) 0.653 2.965 ( 0.000 -11.347 0.000) 11.347 3.185 ( 0.000 -0.243 0.000) 0.243 3.291 ( 0.000 -1.375 0.000) 1.375 3.383 ( 0.000 2.101 0.000) 2.101 3.463 ( 0.000 -8.099 0.000) 8.099 3.617 ( 0.000 4.430 0.000) 4.430 3.703 ( 0.000 -0.276 0.000) 0.276 4.352 ( 0.000 1.414 0.000) 1.414 4.480 ( 0.000 2.060 0.000) 2.060 4.596 ( 0.000 1.797 -0.000) 1.797 4.639 ( 0.000 8.007 0.000) 8.007 4.720 ( 0.000 -1.318 -0.000) 1.318 4.757 ( 0.000 5.918 0.000) 5.918 4.776 ( 0.000 4.346 -0.000) 4.346 4.847 ( 0.000 0.639 -0.000) 0.639 6.235 ( 0.000 -0.122 0.000) 0.122 6.341 ( 0.000 -1.146 -0.000) 1.146 6.346 ( 0.000 -3.930 0.000) 3.930 6.549 ( 0.000 4.323 0.000) 4.323 6.576 ( 0.000 -7.934 0.000) 7.934 6.718 ( 0.000 -0.691 -0.000) 0.691 7.212 ( 0.000 4.821 0.000) 4.821 7.320 ( 0.000 0.788 0.000) 0.788 8.687 ( 0.000 3.951 0.000) 3.951 9.175 ( 0.000 -8.480 0.000) 8.480 9.529 ( 0.000 6.311 0.000) 6.311 9.774 ( 0.000 -1.098 0.000) 1.098 10.472 ( 0.000 8.443 0.000) 8.443 10.813 ( 0.000 8.831 0.000) 8.831 11.315 ( 0.000 -10.739 0.000) 10.739 11.494 ( 0.000 -4.991 0.000) 4.991 13.640 ( 0.000 4.901 0.000) 4.901 13.950 ( 0.000 -1.068 -0.000) 1.068 13.969 ( 0.000 1.953 -0.000) 1.953 14.182 ( 0.000 -3.040 0.000) 3.040 14.288 ( 0.000 0.277 0.000) 0.277 14.371 ( 0.000 -1.408 -0.000) 1.408 14.433 ( 0.000 6.625 0.000) 6.625 14.441 ( 0.000 1.890 0.000) 1.890 14.444 ( 0.000 -0.659 -0.000) 0.659 14.629 ( 0.000 -0.002 0.000) 0.002 14.660 ( 0.000 1.653 -0.000) 1.653 14.850 ( 0.000 -2.948 0.000) 2.948 15.196 ( 0.000 -6.169 0.000) 6.169 15.201 ( 0.000 -4.791 -0.000) 4.791 15.247 ( 0.000 -5.009 -0.000) 5.009 15.260 ( 0.000 -2.858 0.000) 2.858 15.531 ( 0.000 8.285 -0.000) 8.285 15.588 ( 0.000 7.387 0.000) 7.387 15.930 ( 0.000 -5.538 -0.000) 5.538 15.955 ( 0.000 -6.099 0.000) 6.099 16.096 ( 0.000 2.766 -0.000) 2.766 16.267 ( 0.000 3.167 0.000) 3.167 16.296 ( 0.000 5.315 0.000) 5.315 16.443 ( 0.000 -0.011 0.000) 0.011 16.691 ( 0.000 -0.483 0.000) 0.483 16.742 ( 0.000 0.669 0.000) 0.669 16.776 ( 0.000 -1.118 0.000) 1.118 16.879 ( 0.000 -2.482 0.000) 2.482 17.079 ( 0.000 0.723 0.000) 0.723 17.173 ( 0.000 -1.204 0.000) 1.204 17.495 ( 0.000 1.632 0.000) 1.632 17.687 ( 0.000 -2.427 0.000) 2.427 ======================= Grid point 156 (54/60) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 1.834 3.517 -0.000) 3.967 1.201 ( 4.247 1.159 0.000) 4.403 1.363 ( 1.586 5.871 0.000) 6.081 1.474 ( -2.874 3.116 -0.000) 4.239 1.510 ( 2.376 -4.712 0.000) 5.277 1.592 ( 6.391 0.665 0.000) 6.425 1.666 ( -3.586 -3.599 0.000) 5.081 1.736 ( -4.185 -0.474 -0.000) 4.211 1.815 ( 1.800 -2.743 0.000) 3.281 2.043 ( -2.594 6.371 -0.000) 6.879 2.062 ( -2.347 1.120 0.000) 2.601 2.154 ( -0.908 1.137 0.000) 1.455 2.197 ( 0.807 -7.107 -0.000) 7.153 2.282 ( 3.914 -2.653 0.000) 4.728 2.327 ( 1.928 -5.456 -0.000) 5.787 2.518 ( 1.798 -4.266 0.000) 4.630 2.531 ( 1.405 0.805 -0.000) 1.620 2.642 ( 2.961 2.065 0.000) 3.610 2.681 ( -0.587 -1.540 -0.000) 1.648 2.724 ( 6.425 -3.449 -0.000) 7.293 2.901 ( 7.698 -4.121 0.000) 8.732 3.012 ( 4.326 -9.741 -0.000) 10.658 3.193 ( 0.546 -1.225 -0.000) 1.341 3.301 ( 1.980 -1.913 0.000) 2.753 3.417 ( 3.646 0.348 0.000) 3.662 3.495 ( 2.396 -5.316 -0.000) 5.831 3.577 ( -3.686 4.308 -0.000) 5.669 3.675 ( -2.827 -0.451 0.000) 2.863 4.358 ( 0.551 1.388 0.000) 1.493 4.468 ( -0.938 1.660 0.000) 1.906 4.591 ( -0.518 1.799 -0.000) 1.872 4.627 ( -1.124 8.077 0.000) 8.155 4.692 ( -2.680 -1.291 -0.000) 2.975 4.754 ( 0.050 5.416 0.000) 5.417 4.785 ( 0.595 4.456 -0.000) 4.495 4.822 ( -2.478 0.892 -0.000) 2.633 6.205 ( -2.513 0.315 0.000) 2.532 6.358 ( 0.221 -2.480 0.000) 2.490 6.360 ( 1.239 -1.408 -0.000) 1.875 6.490 ( -4.020 3.909 -0.000) 5.607 6.554 ( -1.042 -6.661 -0.000) 6.742 6.732 ( 0.400 -1.808 -0.000) 1.852 7.040 ( -12.656 6.189 0.000) 14.089 7.349 ( -0.881 -1.681 0.000) 1.898 8.709 ( 2.190 3.901 0.000) 4.474 9.178 ( 0.020 -8.369 0.000) 8.369 9.501 ( -2.365 6.434 0.000) 6.855 9.747 ( -2.558 -1.151 0.000) 2.805 10.490 ( 1.817 8.302 -0.000) 8.499 10.807 ( -0.673 8.511 -0.000) 8.538 11.308 ( -0.643 -10.373 -0.000) 10.393 11.463 ( -2.711 -4.687 0.000) 5.414 13.664 ( 2.252 4.639 0.000) 5.157 13.940 ( -0.931 -0.971 -0.000) 1.345 14.004 ( 2.776 1.326 0.000) 3.077 14.179 ( -0.373 -3.108 0.000) 3.131 14.282 ( 0.039 0.555 0.000) 0.557 14.339 ( -1.213 1.128 -0.000) 1.656 14.400 ( -1.758 1.557 0.000) 2.349 14.476 ( 2.269 3.969 -0.000) 4.572 14.521 ( 4.148 -2.016 0.000) 4.612 14.610 ( -0.919 1.475 0.000) 1.738 14.676 ( 1.445 1.685 -0.000) 2.220 14.869 ( 1.707 -2.269 -0.000) 2.839 15.073 ( -6.294 -3.066 0.000) 7.001 15.113 ( -4.843 -1.217 -0.000) 4.993 15.333 ( 2.789 -2.293 -0.000) 3.611 15.385 ( 6.557 -5.944 0.000) 8.850 15.541 ( -3.801 5.378 0.000) 6.586 15.548 ( 2.182 3.556 -0.000) 4.173 15.912 ( -3.528 -4.336 -0.000) 5.590 15.926 ( -0.474 -5.793 0.000) 5.812 16.050 ( -2.590 1.700 -0.000) 3.098 16.240 ( -4.455 4.632 0.000) 6.426 16.304 ( 1.577 -0.501 -0.000) 1.655 16.420 ( -2.686 -1.284 0.000) 2.977 16.670 ( -0.962 0.692 0.000) 1.185 16.739 ( -0.168 1.063 0.000) 1.076 16.801 ( 1.571 0.535 0.000) 1.659 16.868 ( -1.146 -0.454 0.000) 1.233 17.084 ( 0.405 0.785 0.000) 0.884 17.165 ( -0.722 -0.928 0.000) 1.176 17.501 ( 0.559 1.521 -0.000) 1.620 17.671 ( -1.424 -2.122 0.000) 2.556 ======================= Grid point 158 (55/60) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 3.611 2.677 -0.000) 4.495 1.283 ( 4.313 0.240 0.000) 4.320 1.428 ( -0.995 3.376 -0.000) 3.519 1.471 ( 6.541 5.771 0.000) 8.723 1.556 ( 2.625 -3.574 -0.000) 4.435 1.578 ( -4.991 -2.725 0.000) 5.686 1.637 ( -5.126 1.294 -0.000) 5.287 1.728 ( 6.258 0.415 0.000) 6.272 1.855 ( 2.121 -3.368 0.000) 3.981 1.987 ( -2.697 5.065 -0.000) 5.739 2.012 ( -2.589 0.403 0.000) 2.620 2.112 ( -3.140 2.746 0.000) 4.171 2.225 ( 1.886 -7.259 -0.000) 7.500 2.347 ( -0.191 -7.287 0.000) 7.289 2.364 ( 4.009 -5.414 0.000) 6.737 2.545 ( -0.039 -5.566 0.000) 5.566 2.569 ( 2.317 -0.194 -0.000) 2.325 2.660 ( 0.241 -0.334 0.000) 0.412 2.717 ( 3.954 1.628 -0.000) 4.276 2.927 ( 10.925 0.097 0.000) 10.925 2.998 ( 0.074 -4.737 0.000) 4.738 3.128 ( 6.643 -6.583 0.000) 9.352 3.247 ( 6.058 -0.770 0.000) 6.107 3.393 ( 6.562 -4.366 0.000) 7.881 3.475 ( -6.034 3.900 -0.000) 7.185 3.528 ( 5.188 0.253 -0.000) 5.194 3.536 ( 2.476 -4.352 0.000) 5.007 3.589 ( -5.517 -0.940 0.000) 5.596 4.372 ( 0.885 1.393 0.000) 1.650 4.453 ( -0.192 0.541 0.000) 0.574 4.569 ( -1.885 3.095 0.000) 3.624 4.601 ( -0.982 7.183 0.000) 7.250 4.620 ( -4.134 -1.392 -0.000) 4.362 4.743 ( -5.174 2.090 0.000) 5.581 4.760 ( 0.549 4.791 -0.000) 4.823 4.793 ( 0.117 4.323 -0.000) 4.324 6.153 ( -2.072 1.947 0.000) 2.843 6.297 ( -5.538 5.029 0.000) 7.480 6.355 ( -1.308 -0.403 -0.000) 1.368 6.476 ( 2.582 -2.736 0.000) 3.762 6.605 ( 6.403 -5.183 -0.000) 8.238 6.714 ( -2.228 -3.425 0.000) 4.086 6.759 ( -13.686 6.600 0.000) 15.195 7.256 ( -7.962 -4.846 0.000) 9.320 8.780 ( 4.756 3.319 0.000) 5.800 9.151 ( -3.390 -5.996 0.000) 6.888 9.464 ( -0.321 4.764 0.000) 4.775 9.675 ( -4.237 -1.142 0.000) 4.388 10.545 ( 3.459 7.920 -0.000) 8.642 10.780 ( -2.190 7.819 -0.000) 8.120 11.294 ( -0.465 -9.013 0.000) 9.025 11.399 ( -3.303 -4.562 0.000) 5.633 13.726 ( 3.712 3.758 0.000) 5.282 13.912 ( -1.780 -0.610 -0.000) 1.882 14.046 ( 1.025 0.375 0.000) 1.091 14.163 ( -1.523 -2.834 0.000) 3.218 14.307 ( 2.373 0.911 0.000) 2.542 14.367 ( 4.578 1.273 -0.000) 4.752 14.368 ( -1.157 1.821 0.000) 2.158 14.499 ( -0.040 2.693 -0.000) 2.693 14.507 ( -3.923 0.345 0.000) 3.938 14.696 ( 7.526 -1.379 0.000) 7.651 14.711 ( 1.493 0.764 -0.000) 1.677 14.906 ( 1.455 -1.864 -0.000) 2.365 14.964 ( -4.053 0.195 0.000) 4.057 15.040 ( -1.776 2.898 -0.000) 3.399 15.316 ( -10.636 8.622 0.000) 13.692 15.319 ( -4.111 3.491 -0.000) 5.393 15.601 ( 7.305 -10.807 0.000) 13.045 15.638 ( 6.231 -6.872 -0.000) 9.276 15.849 ( -2.455 -3.010 -0.000) 3.884 15.909 ( -1.278 -6.764 0.000) 6.883 16.021 ( 0.107 -0.095 -0.000) 0.143 16.157 ( -2.804 3.908 0.000) 4.810 16.289 ( -3.118 -6.371 0.000) 7.093 16.332 ( -5.548 -3.462 0.000) 6.539 16.677 ( 1.703 4.468 0.000) 4.782 16.737 ( 0.030 2.583 0.000) 2.583 16.817 ( -0.255 2.639 0.000) 2.651 16.831 ( -2.389 2.622 -0.000) 3.547 17.095 ( 0.728 0.960 0.000) 1.205 17.147 ( -0.952 -0.204 0.000) 0.974 17.519 ( 1.229 1.172 -0.000) 1.698 17.634 ( -2.105 -1.333 0.000) 2.491 ======================= Grid point 160 (56/60) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 4.956 1.236 0.000) 5.108 1.388 ( 5.541 -0.184 0.000) 5.544 1.428 ( -1.282 1.318 -0.000) 1.839 1.484 ( -1.816 1.028 -0.000) 2.087 1.486 ( -3.407 -1.209 0.000) 3.615 1.537 ( -4.445 2.290 0.000) 5.000 1.688 ( 7.790 4.522 -0.000) 9.008 1.797 ( -1.339 2.239 0.000) 2.609 1.903 ( 2.524 -2.517 0.000) 3.565 1.957 ( -2.738 -0.979 -0.000) 2.908 1.963 ( 1.737 3.047 0.000) 3.508 2.036 ( -4.124 1.910 0.000) 4.545 2.271 ( 2.506 -7.815 -0.000) 8.207 2.321 ( -2.111 -7.812 0.000) 8.092 2.443 ( 3.691 -5.840 0.000) 6.908 2.512 ( -2.839 -5.401 0.000) 6.102 2.620 ( 2.334 -1.128 -0.000) 2.593 2.654 ( -0.954 -1.085 0.000) 1.445 2.823 ( 5.803 -0.277 -0.000) 5.809 2.936 ( -4.918 -2.748 0.000) 5.633 3.133 ( 8.991 1.791 0.000) 9.168 3.249 ( 2.001 -1.667 0.000) 2.604 3.361 ( -2.076 1.197 -0.000) 2.396 3.394 ( 6.832 -0.659 0.000) 6.864 3.458 ( -6.933 -1.680 -0.000) 7.134 3.490 ( -1.328 0.146 0.000) 1.336 3.566 ( 5.053 -7.109 0.000) 8.722 3.627 ( 1.125 -4.447 0.000) 4.587 4.413 ( 3.810 1.979 0.000) 4.294 4.471 ( 2.067 -0.777 -0.000) 2.208 4.511 ( -4.174 2.764 0.000) 5.006 4.535 ( -3.916 -1.453 -0.000) 4.176 4.593 ( 0.298 6.519 0.000) 6.526 4.633 ( -4.313 5.547 0.000) 7.026 4.775 ( 0.777 4.408 -0.000) 4.476 4.789 ( -0.538 4.220 -0.000) 4.254 6.137 ( 0.815 4.277 0.000) 4.354 6.190 ( -4.260 5.945 0.000) 7.314 6.364 ( 3.174 2.874 0.000) 4.282 6.500 ( -10.002 5.667 0.000) 11.496 6.553 ( 4.506 -4.299 0.000) 6.228 6.645 ( -4.233 -4.322 -0.000) 6.050 6.804 ( 11.344 -6.305 0.000) 12.978 7.047 ( -11.806 -6.441 0.000) 13.449 8.899 ( 6.689 1.709 0.000) 6.904 9.041 ( -6.788 -1.306 0.000) 6.913 9.499 ( 3.316 1.153 0.000) 3.511 9.583 ( -4.604 -0.622 0.000) 4.646 10.627 ( 4.431 7.474 0.000) 8.689 10.716 ( -3.987 7.349 -0.000) 8.361 11.299 ( 1.080 -6.983 0.000) 7.066 11.337 ( -2.556 -5.390 0.000) 5.966 13.804 ( 3.635 2.089 0.000) 4.192 13.868 ( -2.605 0.329 -0.000) 2.626 14.068 ( 1.614 -0.449 -0.000) 1.675 14.115 ( -2.774 -1.654 0.000) 3.229 14.366 ( 1.236 2.394 -0.000) 2.694 14.371 ( 3.572 1.871 0.000) 4.033 14.421 ( -3.918 2.457 -0.000) 4.624 14.434 ( -1.584 3.027 0.000) 3.417 14.548 ( 7.379 -2.645 0.000) 7.838 14.690 ( -4.644 -3.438 -0.000) 5.778 14.840 ( 5.586 -4.038 0.000) 6.893 14.908 ( -1.434 -3.128 0.000) 3.441 14.946 ( 3.320 6.820 0.000) 7.585 15.063 ( 4.250 6.443 -0.000) 7.719 15.090 ( -10.050 9.627 0.000) 13.917 15.193 ( -7.360 5.359 0.000) 9.104 15.728 ( 4.709 -9.497 -0.000) 10.600 15.771 ( 6.032 -10.673 0.000) 12.260 15.800 ( -2.692 -5.303 -0.000) 5.947 15.866 ( -3.213 -9.041 0.000) 9.595 16.071 ( 4.787 -3.236 -0.000) 5.779 16.144 ( 1.584 2.095 0.000) 2.627 16.190 ( -6.023 -7.132 0.000) 9.335 16.217 ( -5.159 -1.892 -0.000) 5.495 16.729 ( 3.088 5.459 -0.000) 6.272 16.745 ( 0.960 3.884 0.000) 4.000 16.780 ( -2.331 4.088 0.000) 4.706 16.789 ( -2.390 4.327 -0.000) 4.943 17.112 ( 0.814 1.009 0.000) 1.296 17.128 ( -0.836 0.594 0.000) 1.025 17.550 ( 1.786 0.547 0.000) 1.868 17.590 ( -2.112 -0.343 0.000) 2.139 ======================= Grid point 168 (57/60) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.000 5.059 0.000) 5.059 1.319 ( 0.000 9.946 -0.000) 9.946 1.350 ( 0.000 -5.708 0.000) 5.708 1.495 ( 0.000 3.389 -0.000) 3.389 1.527 ( 0.000 0.944 0.000) 0.944 1.554 ( 0.000 -9.344 0.000) 9.344 1.610 ( 0.000 4.938 0.000) 4.938 1.734 ( 0.000 -4.904 0.000) 4.904 1.784 ( 0.000 2.658 0.000) 2.658 1.915 ( 0.000 -10.119 0.000) 10.119 2.150 ( 0.000 -0.085 -0.000) 0.085 2.161 ( 0.000 -0.641 -0.000) 0.641 2.185 ( 0.000 2.911 0.000) 2.911 2.243 ( 0.000 -2.810 0.000) 2.810 2.306 ( 0.000 8.092 0.000) 8.092 2.425 ( 0.000 -3.438 -0.000) 3.438 2.562 ( 0.000 2.546 0.000) 2.546 2.574 ( 0.000 1.523 0.000) 1.523 2.605 ( 0.000 -2.617 -0.000) 2.617 2.655 ( 0.000 -0.895 0.000) 0.895 2.677 ( 0.000 -7.348 0.000) 7.348 2.739 ( 0.000 -8.673 0.000) 8.673 3.213 ( 0.000 2.427 0.000) 2.427 3.265 ( 0.000 -1.636 0.000) 1.636 3.346 ( 0.000 -1.482 0.000) 1.482 3.375 ( 0.000 -2.184 0.000) 2.184 3.682 ( 0.000 1.740 0.000) 1.740 3.700 ( 0.000 -0.226 0.000) 0.226 4.444 ( 0.000 6.279 0.000) 6.279 4.554 ( 0.000 4.533 0.000) 4.533 4.567 ( 0.000 -4.350 -0.000) 4.350 4.651 ( 0.000 -4.305 0.000) 4.305 4.792 ( 0.000 5.651 0.000) 5.651 4.858 ( 0.000 -0.600 0.000) 0.600 4.864 ( 0.000 3.200 -0.000) 3.200 4.869 ( 0.000 2.738 -0.000) 2.738 6.241 ( 0.000 0.840 0.000) 0.840 6.276 ( 0.000 -2.552 0.000) 2.552 6.336 ( 0.000 1.369 0.000) 1.369 6.416 ( 0.000 -6.171 0.000) 6.171 6.633 ( 0.000 3.430 0.000) 3.430 6.691 ( 0.000 -1.985 -0.000) 1.985 7.297 ( 0.000 2.822 0.000) 2.822 7.329 ( 0.000 -0.320 0.000) 0.320 8.810 ( 0.000 7.422 0.000) 7.422 8.987 ( 0.000 -8.963 0.000) 8.963 9.650 ( 0.000 4.919 0.000) 4.919 9.733 ( 0.000 -2.882 0.000) 2.882 10.717 ( 0.000 14.103 0.000) 14.103 11.034 ( 0.000 -14.993 0.000) 14.993 11.054 ( 0.000 12.952 0.000) 12.952 11.319 ( 0.000 -11.113 0.000) 11.113 13.769 ( 0.000 6.661 0.000) 6.661 13.893 ( 0.000 -4.502 -0.000) 4.502 14.027 ( 0.000 3.413 -0.000) 3.413 14.106 ( 0.000 -3.861 0.000) 3.861 14.306 ( 0.000 1.233 0.000) 1.233 14.337 ( 0.000 -1.664 -0.000) 1.664 14.447 ( 0.000 1.076 0.000) 1.076 14.468 ( 0.000 -0.109 0.000) 0.109 14.589 ( 0.000 7.088 0.000) 7.088 14.655 ( 0.000 3.123 0.000) 3.123 14.679 ( 0.000 -0.920 -0.000) 0.920 14.754 ( 0.000 -5.461 0.000) 5.461 15.096 ( 0.000 -2.449 0.000) 2.449 15.125 ( 0.000 -4.983 0.000) 4.983 15.157 ( 0.000 0.248 -0.000) 0.248 15.194 ( 0.000 -2.869 -0.000) 2.869 15.689 ( 0.000 6.534 -0.000) 6.534 15.731 ( 0.000 5.882 0.000) 5.882 15.814 ( 0.000 -5.513 -0.000) 5.513 15.841 ( 0.000 -4.880 0.000) 4.880 16.179 ( 0.000 4.731 0.000) 4.731 16.269 ( 0.000 -2.866 0.000) 2.866 16.392 ( 0.000 3.368 0.000) 3.368 16.435 ( 0.000 -0.927 0.000) 0.927 16.701 ( 0.000 1.554 0.000) 1.554 16.742 ( 0.000 -1.962 -0.000) 1.962 16.766 ( 0.000 1.753 0.000) 1.753 16.817 ( 0.000 -2.949 0.000) 2.949 17.103 ( 0.000 1.495 0.000) 1.495 17.139 ( 0.000 -1.792 0.000) 1.792 17.546 ( 0.000 3.118 0.000) 3.118 17.620 ( 0.000 -3.608 0.000) 3.608 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 2.921 4.683 -0.000) 5.519 1.328 ( 0.847 9.224 0.000) 9.263 1.383 ( 2.846 -6.026 -0.000) 6.664 1.509 ( 3.052 6.152 0.000) 6.868 1.539 ( -1.975 -8.680 0.000) 8.902 1.576 ( -2.048 6.177 -0.000) 6.508 1.594 ( 5.289 -1.434 0.000) 5.480 1.713 ( -1.616 -5.394 0.000) 5.631 1.771 ( -1.035 2.711 -0.000) 2.902 1.912 ( -0.293 -10.283 -0.000) 10.287 2.124 ( -2.151 2.072 0.000) 2.986 2.170 ( -1.346 2.982 -0.000) 3.271 2.184 ( 1.773 -3.074 0.000) 3.549 2.240 ( -0.493 -3.569 0.000) 3.603 2.282 ( -2.099 6.891 0.000) 7.203 2.422 ( -0.165 -5.276 0.000) 5.278 2.558 ( 0.885 2.062 -0.000) 2.244 2.622 ( -0.092 -3.731 0.000) 3.732 2.656 ( 4.972 1.137 0.000) 5.100 2.720 ( 9.491 3.548 -0.000) 10.133 2.764 ( 6.387 -7.825 0.000) 10.101 2.828 ( 7.439 -6.891 -0.000) 10.140 3.194 ( -0.268 1.471 0.000) 1.495 3.246 ( -0.556 -3.117 0.000) 3.167 3.399 ( 4.871 0.882 0.000) 4.950 3.440 ( 4.281 -2.107 0.000) 4.772 3.643 ( -3.691 1.918 0.000) 4.160 3.667 ( -3.263 -0.510 0.000) 3.303 4.445 ( 0.032 5.850 0.000) 5.851 4.532 ( -1.954 4.092 0.000) 4.534 4.561 ( -0.558 -4.261 -0.000) 4.297 4.625 ( -2.528 -4.232 -0.000) 4.930 4.781 ( -1.065 5.577 0.000) 5.678 4.842 ( -1.572 -0.202 0.000) 1.585 4.861 ( -0.136 3.450 -0.000) 3.453 4.873 ( 0.198 2.382 -0.000) 2.390 6.231 ( -0.619 2.210 0.000) 2.295 6.292 ( 1.422 -3.338 0.000) 3.628 6.350 ( 1.145 1.063 -0.000) 1.562 6.418 ( 0.749 -5.298 -0.000) 5.350 6.585 ( -4.184 4.655 -0.000) 6.259 6.674 ( -1.871 -3.571 -0.000) 4.032 7.176 ( -9.943 6.132 0.000) 11.682 7.287 ( -5.423 -4.223 0.000) 6.873 8.828 ( 1.743 7.134 0.000) 7.344 8.997 ( 0.871 -8.552 0.000) 8.596 9.622 ( -2.545 4.894 0.000) 5.516 9.705 ( -2.618 -2.915 0.000) 3.918 10.730 ( 1.295 13.718 -0.000) 13.779 11.029 ( -1.087 -3.031 -0.000) 3.220 11.048 ( 0.072 1.095 -0.000) 1.097 11.296 ( -2.133 -10.708 0.000) 10.918 13.784 ( 1.356 6.067 -0.000) 6.217 13.893 ( -0.106 -3.779 -0.000) 3.781 14.046 ( 1.456 2.622 0.000) 2.999 14.110 ( 0.203 -3.270 0.000) 3.277 14.301 ( 0.099 1.180 0.000) 1.184 14.329 ( -0.211 -1.284 -0.000) 1.302 14.434 ( -1.051 1.661 0.000) 1.966 14.475 ( 0.458 -2.177 0.000) 2.225 14.600 ( 0.577 6.235 0.000) 6.262 14.670 ( 1.599 4.390 0.000) 4.672 14.689 ( 0.590 -1.491 -0.000) 1.603 14.781 ( 2.191 -5.480 -0.000) 5.902 15.059 ( -1.200 2.958 0.000) 3.192 15.140 ( -0.398 3.616 -0.000) 3.637 15.202 ( 5.202 -9.359 0.000) 10.707 15.242 ( 3.602 -5.407 -0.000) 6.497 15.660 ( -2.845 6.390 0.000) 6.995 15.684 ( -4.941 6.897 -0.000) 8.484 15.798 ( -1.619 -6.348 0.000) 6.551 15.812 ( -2.722 -5.187 0.000) 5.858 16.118 ( -4.295 4.528 0.000) 6.241 16.230 ( -3.754 -5.427 0.000) 6.599 16.321 ( -5.442 3.127 0.000) 6.277 16.379 ( -5.142 -2.431 0.000) 5.687 16.725 ( 2.455 3.562 0.000) 4.326 16.784 ( 1.481 2.897 -0.000) 3.254 16.787 ( 3.133 -1.916 0.000) 3.672 16.841 ( 1.488 -2.137 0.000) 2.604 17.107 ( 0.387 1.363 0.000) 1.416 17.138 ( -0.078 -1.483 0.000) 1.485 17.547 ( 0.131 2.803 0.000) 2.806 17.613 ( -0.650 -3.178 0.000) 3.244 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 3.810 4.184 0.000) 5.659 1.351 ( 1.316 6.601 0.000) 6.731 1.439 ( 2.080 -5.225 -0.000) 5.624 1.479 ( -3.049 -3.533 0.000) 4.666 1.556 ( -0.219 5.075 -0.000) 5.080 1.631 ( 7.960 6.234 0.000) 10.111 1.674 ( -2.437 -0.735 -0.000) 2.545 1.718 ( 6.110 -1.830 0.000) 6.378 1.766 ( 1.165 -1.417 0.000) 1.834 1.902 ( -0.770 -9.919 -0.000) 9.949 2.078 ( -1.993 4.157 0.000) 4.610 2.140 ( -1.327 1.335 0.000) 1.882 2.195 ( -1.820 -4.153 0.000) 4.534 2.214 ( -2.074 -5.218 0.000) 5.615 2.249 ( 0.114 4.490 -0.000) 4.492 2.411 ( -1.387 -7.384 0.000) 7.513 2.582 ( 1.358 1.447 -0.000) 1.985 2.625 ( 0.354 -2.353 0.000) 2.379 2.760 ( 4.301 3.138 0.000) 5.324 2.866 ( 2.483 -6.604 -0.000) 7.055 2.949 ( 11.795 2.027 0.000) 11.968 3.013 ( 10.062 -4.092 0.000) 10.862 3.246 ( 5.677 0.949 0.000) 5.755 3.294 ( 5.597 -3.791 0.000) 6.760 3.499 ( 3.483 0.205 -0.000) 3.489 3.516 ( 3.119 -1.020 -0.000) 3.282 3.538 ( -6.404 2.094 0.000) 6.737 3.569 ( -6.123 -1.001 0.000) 6.204 4.447 ( 0.295 4.844 0.000) 4.853 4.486 ( -2.151 2.637 -0.000) 3.403 4.545 ( -1.124 -3.763 0.000) 3.928 4.557 ( -3.719 -3.717 -0.000) 5.258 4.752 ( -1.575 5.281 0.000) 5.511 4.796 ( -2.724 1.124 0.000) 2.947 4.861 ( 0.103 3.407 -0.000) 3.408 4.875 ( -0.053 2.158 -0.000) 2.159 6.228 ( 0.586 4.802 0.000) 4.838 6.331 ( 2.236 -3.780 0.000) 4.392 6.379 ( 2.156 2.948 -0.000) 3.652 6.478 ( 5.400 -6.025 0.000) 8.091 6.483 ( -5.202 5.321 -0.000) 7.441 6.613 ( -3.999 -5.883 -0.000) 7.114 6.928 ( -13.450 8.856 0.000) 16.103 7.114 ( -10.969 -8.215 0.000) 13.704 8.879 ( 3.077 5.785 0.000) 6.552 9.013 ( 0.372 -6.697 0.000) 6.707 9.562 ( -2.787 4.194 0.000) 5.036 9.635 ( -3.854 -2.685 0.000) 4.697 10.770 ( 2.587 12.664 -0.000) 12.925 10.984 ( -3.066 7.562 -0.000) 8.160 11.067 ( 1.563 -8.889 -0.000) 9.025 11.239 ( -3.205 -10.014 0.000) 10.514 13.818 ( 1.739 4.223 -0.000) 4.567 13.886 ( -0.604 -2.108 -0.000) 2.193 14.064 ( 0.099 1.422 0.000) 1.425 14.106 ( -0.806 -2.455 0.000) 2.584 14.332 ( 3.092 1.338 0.000) 3.369 14.360 ( 3.767 -1.225 0.000) 3.961 14.417 ( -0.231 2.807 -0.000) 2.817 14.482 ( 0.081 -2.814 -0.000) 2.816 14.591 ( -1.745 4.981 0.000) 5.278 14.683 ( -1.724 -3.302 0.000) 3.725 14.717 ( 2.733 3.683 -0.000) 4.587 14.821 ( 1.221 -5.312 -0.000) 5.451 15.068 ( 2.342 9.416 0.000) 9.703 15.159 ( 2.447 7.660 -0.000) 8.042 15.322 ( 6.357 -13.461 -0.000) 14.887 15.325 ( 3.982 -5.939 0.000) 7.151 15.529 ( -9.511 10.246 -0.000) 13.980 15.576 ( -4.906 4.478 0.000) 6.643 15.732 ( -5.138 -8.023 0.000) 9.527 15.741 ( -4.065 -8.901 0.000) 9.785 16.052 ( -1.740 2.860 -0.000) 3.347 16.144 ( -3.955 -5.977 0.000) 7.168 16.218 ( -3.927 2.173 0.000) 4.488 16.265 ( -5.156 -2.554 -0.000) 5.754 16.781 ( 2.593 4.299 -0.000) 5.021 16.810 ( 0.885 3.443 0.000) 3.555 16.838 ( 1.480 -0.864 0.000) 1.713 16.856 ( -0.160 -0.544 -0.000) 0.567 17.119 ( 0.790 1.122 0.000) 1.372 17.138 ( 0.110 -0.629 0.000) 0.639 17.553 ( 0.433 1.954 0.000) 2.001 17.597 ( -0.856 -2.057 -0.000) 2.228 ======================= Grid point 174 (60/60) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 1.829 2.543 0.000) 3.133 1.410 ( 3.400 2.075 -0.000) 3.983 1.425 ( -2.311 -1.229 0.000) 2.618 1.455 ( -0.711 -1.785 0.000) 1.921 1.569 ( 1.612 6.149 -0.000) 6.357 1.617 ( -2.844 4.159 0.000) 5.039 1.780 ( 5.289 3.009 -0.000) 6.085 1.811 ( 2.206 -0.455 0.000) 2.252 1.814 ( 3.069 -4.647 0.000) 5.569 1.873 ( -2.288 -7.305 -0.000) 7.655 2.062 ( 1.052 6.085 -0.000) 6.175 2.126 ( -4.236 5.153 0.000) 6.671 2.130 ( 0.660 -2.629 -0.000) 2.711 2.165 ( -2.398 -5.325 0.000) 5.840 2.284 ( 2.992 -6.742 0.000) 7.376 2.357 ( -3.655 -8.477 0.000) 9.232 2.610 ( 1.222 0.221 -0.000) 1.242 2.626 ( -0.342 -1.256 0.000) 1.302 2.828 ( 2.636 1.035 0.000) 2.832 2.870 ( -1.334 -2.870 -0.000) 3.165 3.174 ( 9.749 1.943 0.000) 9.941 3.213 ( 8.490 -1.707 0.000) 8.660 3.392 ( 7.265 0.836 0.000) 7.313 3.393 ( -7.112 1.618 -0.000) 7.293 3.425 ( -7.653 -1.447 -0.000) 7.789 3.441 ( 7.194 -4.014 0.000) 8.238 3.503 ( -2.597 1.126 0.000) 2.830 3.545 ( -1.652 -2.937 0.000) 3.370 4.461 ( -0.061 0.218 0.000) 0.226 4.466 ( 1.785 2.605 -0.000) 3.158 4.488 ( -2.667 -2.241 0.000) 3.483 4.511 ( -2.190 -1.468 -0.000) 2.636 4.729 ( -0.387 4.422 0.000) 4.439 4.744 ( -1.919 3.011 0.000) 3.571 4.865 ( 0.284 2.957 -0.000) 2.970 4.871 ( -0.277 2.408 0.000) 2.424 6.262 ( 2.850 6.962 0.000) 7.522 6.335 ( -3.368 6.090 0.000) 6.960 6.437 ( 2.479 -5.126 0.000) 5.694 6.466 ( 6.873 6.756 0.000) 9.638 6.521 ( -4.732 -7.070 -0.000) 8.507 6.635 ( 9.313 -7.956 0.000) 12.249 6.662 ( -11.336 8.409 0.000) 14.115 6.868 ( -12.368 -9.815 0.000) 15.790 8.946 ( 3.302 2.605 0.000) 4.206 9.001 ( -1.754 -2.375 0.000) 2.953 9.530 ( -0.024 1.641 0.000) 1.642 9.562 ( -2.953 -1.318 0.000) 3.233 10.834 ( 3.594 11.162 0.000) 11.726 10.912 ( -3.858 9.477 0.000) 10.232 11.110 ( 2.657 -9.499 0.000) 9.864 11.172 ( -3.274 -9.641 0.000) 10.181 13.848 ( 1.217 1.705 -0.000) 2.095 13.870 ( -0.936 -0.346 -0.000) 0.998 14.064 ( 0.278 0.259 0.000) 0.380 14.081 ( -1.290 -1.318 0.000) 1.845 14.418 ( 4.905 2.404 0.000) 5.462 14.433 ( 1.677 3.442 -0.000) 3.829 14.466 ( 4.825 -1.588 0.000) 5.080 14.469 ( -1.433 0.864 -0.000) 1.674 14.534 ( -2.569 2.806 0.000) 3.805 14.610 ( -5.197 -3.818 0.000) 6.449 14.775 ( 2.830 -0.974 -0.000) 2.993 14.820 ( -1.309 -4.334 0.000) 4.528 15.157 ( 6.322 12.330 0.000) 13.856 15.237 ( 5.024 9.642 -0.000) 10.873 15.319 ( -9.108 10.142 0.000) 13.631 15.342 ( -3.773 6.334 -0.000) 7.372 15.468 ( 6.613 -11.982 0.000) 13.686 15.535 ( 2.830 -8.591 -0.000) 9.045 15.608 ( -6.735 -11.933 0.000) 13.703 15.637 ( -5.762 -11.448 0.000) 12.816 16.045 ( 0.835 0.387 -0.000) 0.920 16.079 ( -2.410 -3.050 0.000) 3.887 16.173 ( -0.605 0.871 0.000) 1.060 16.189 ( -2.196 -0.847 -0.000) 2.353 16.824 ( 0.646 2.708 -0.000) 2.784 16.824 ( 1.610 2.924 0.000) 3.338 16.841 ( -1.010 1.191 0.000) 1.561 16.846 ( -0.477 0.855 -0.000) 0.979 17.135 ( 0.584 0.878 0.000) 1.054 17.140 ( -0.002 0.328 0.000) 0.328 17.565 ( 0.680 0.761 0.000) 1.021 17.580 ( -0.795 -0.631 0.000) 1.015 =================== 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 3/23520 10.0 164.056 165.469 193.678 0.000 0.000 -0.000 3/23520 20.0 29.118 29.785 56.524 0.000 0.000 -0.000 3/23520 30.0 13.715 14.091 29.252 0.000 0.000 -0.000 3/23520 40.0 8.840 9.156 19.586 0.000 0.000 -0.000 3/23520 50.0 6.548 6.840 14.884 0.000 0.000 -0.000 3/23520 60.0 5.225 5.501 12.129 0.000 0.000 -0.000 3/23520 70.0 4.362 4.626 10.314 0.000 0.000 -0.000 3/23520 80.0 3.753 4.005 9.018 0.000 0.000 -0.000 3/23520 90.0 3.299 3.540 8.040 0.000 0.000 -0.000 3/23520 100.0 2.945 3.177 7.269 0.000 0.000 -0.000 3/23520 110.0 2.662 2.885 6.644 0.000 0.000 -0.000 3/23520 120.0 2.430 2.645 6.124 0.000 0.000 -0.000 3/23520 130.0 2.237 2.444 5.683 0.000 0.000 -0.000 3/23520 140.0 2.072 2.273 5.304 0.000 0.000 -0.000 3/23520 150.0 1.931 2.125 4.974 0.000 0.000 -0.000 3/23520 160.0 1.808 1.996 4.684 0.000 0.000 -0.000 3/23520 170.0 1.700 1.883 4.427 0.000 0.000 -0.000 3/23520 180.0 1.605 1.782 4.197 0.000 0.000 -0.000 3/23520 190.0 1.520 1.692 3.990 0.000 0.000 -0.000 3/23520 200.0 1.444 1.611 3.803 0.000 0.000 -0.000 3/23520 210.0 1.375 1.538 3.633 0.000 0.000 -0.000 3/23520 220.0 1.313 1.471 3.478 0.000 0.000 -0.000 3/23520 230.0 1.256 1.410 3.335 0.000 0.000 -0.000 3/23520 240.0 1.204 1.353 3.204 0.000 0.000 -0.000 3/23520 250.0 1.156 1.302 3.082 0.000 0.000 -0.000 3/23520 260.0 1.112 1.254 2.970 0.000 0.000 -0.000 3/23520 270.0 1.071 1.209 2.865 0.000 0.000 -0.000 3/23520 280.0 1.033 1.168 2.768 0.000 0.000 -0.000 3/23520 290.0 0.998 1.129 2.677 0.000 0.000 -0.000 3/23520 300.0 0.965 1.093 2.591 0.000 0.000 -0.000 3/23520 310.0 0.934 1.059 2.511 0.000 0.000 -0.000 3/23520 320.0 0.905 1.027 2.436 0.000 0.000 -0.000 3/23520 330.0 0.878 0.997 2.365 0.000 0.000 -0.000 3/23520 340.0 0.852 0.969 2.298 0.000 0.000 -0.000 3/23520 350.0 0.828 0.942 2.235 0.000 0.000 -0.000 3/23520 360.0 0.805 0.917 2.175 0.000 0.000 -0.000 3/23520 370.0 0.784 0.893 2.118 0.000 0.000 -0.000 3/23520 380.0 0.763 0.870 2.064 0.000 0.000 -0.000 3/23520 390.0 0.744 0.848 2.013 0.000 0.000 -0.000 3/23520 400.0 0.726 0.828 1.964 0.000 0.000 -0.000 3/23520 410.0 0.708 0.808 1.918 0.000 0.000 -0.000 3/23520 420.0 0.691 0.790 1.873 0.000 0.000 -0.000 3/23520 430.0 0.675 0.772 1.831 0.000 0.000 -0.000 3/23520 440.0 0.660 0.755 1.790 0.000 0.000 -0.000 3/23520 450.0 0.646 0.738 1.752 0.000 0.000 -0.000 3/23520 460.0 0.632 0.723 1.714 0.000 0.000 -0.000 3/23520 470.0 0.618 0.708 1.679 0.000 0.000 -0.000 3/23520 480.0 0.606 0.693 1.645 0.000 0.000 -0.000 3/23520 490.0 0.593 0.679 1.612 0.000 0.000 -0.000 3/23520 500.0 0.582 0.666 1.580 0.000 0.000 -0.000 3/23520 510.0 0.570 0.653 1.550 0.000 0.000 -0.000 3/23520 520.0 0.559 0.641 1.521 0.000 0.000 -0.000 3/23520 530.0 0.549 0.629 1.493 0.000 0.000 -0.000 3/23520 540.0 0.539 0.618 1.465 0.000 0.000 -0.000 3/23520 550.0 0.529 0.607 1.439 0.000 0.000 -0.000 3/23520 560.0 0.520 0.596 1.414 0.000 0.000 -0.000 3/23520 570.0 0.511 0.586 1.390 0.000 0.000 -0.000 3/23520 580.0 0.502 0.576 1.366 0.000 0.000 -0.000 3/23520 590.0 0.494 0.566 1.343 0.000 0.000 -0.000 3/23520 600.0 0.485 0.557 1.321 0.000 0.000 -0.000 3/23520 610.0 0.477 0.548 1.300 0.000 0.000 -0.000 3/23520 620.0 0.470 0.539 1.279 0.000 0.000 -0.000 3/23520 630.0 0.462 0.531 1.259 0.000 0.000 -0.000 3/23520 640.0 0.455 0.523 1.240 0.000 0.000 -0.000 3/23520 650.0 0.448 0.515 1.221 0.000 0.000 -0.000 3/23520 660.0 0.441 0.507 1.203 0.000 0.000 -0.000 3/23520 670.0 0.435 0.500 1.185 0.000 0.000 -0.000 3/23520 680.0 0.429 0.492 1.168 0.000 0.000 -0.000 3/23520 690.0 0.422 0.485 1.151 0.000 0.000 -0.000 3/23520 700.0 0.416 0.478 1.135 0.000 0.000 -0.000 3/23520 710.0 0.411 0.472 1.119 0.000 0.000 -0.000 3/23520 720.0 0.405 0.465 1.104 0.000 0.000 -0.000 3/23520 730.0 0.399 0.459 1.089 0.000 0.000 -0.000 3/23520 740.0 0.394 0.453 1.074 0.000 0.000 -0.000 3/23520 750.0 0.389 0.447 1.060 0.000 0.000 -0.000 3/23520 760.0 0.384 0.441 1.046 0.000 0.000 -0.000 3/23520 770.0 0.379 0.435 1.033 0.000 0.000 -0.000 3/23520 780.0 0.374 0.430 1.020 0.000 0.000 -0.000 3/23520 790.0 0.369 0.425 1.007 0.000 0.000 -0.000 3/23520 800.0 0.365 0.419 0.995 0.000 0.000 -0.000 3/23520 810.0 0.360 0.414 0.982 0.000 0.000 -0.000 3/23520 820.0 0.356 0.409 0.971 0.000 0.000 -0.000 3/23520 830.0 0.351 0.404 0.959 0.000 0.000 -0.000 3/23520 840.0 0.347 0.400 0.948 0.000 0.000 -0.000 3/23520 850.0 0.343 0.395 0.937 0.000 0.000 -0.000 3/23520 860.0 0.339 0.390 0.926 0.000 0.000 -0.000 3/23520 870.0 0.335 0.386 0.915 0.000 0.000 -0.000 3/23520 880.0 0.332 0.382 0.905 0.000 0.000 -0.000 3/23520 890.0 0.328 0.377 0.895 0.000 0.000 -0.000 3/23520 900.0 0.324 0.373 0.885 0.000 0.000 -0.000 3/23520 910.0 0.321 0.369 0.875 0.000 0.000 -0.000 3/23520 920.0 0.317 0.365 0.866 0.000 0.000 -0.000 3/23520 930.0 0.314 0.361 0.857 0.000 0.000 -0.000 3/23520 940.0 0.310 0.357 0.848 0.000 0.000 -0.000 3/23520 950.0 0.307 0.354 0.839 0.000 0.000 -0.000 3/23520 960.0 0.304 0.350 0.830 0.000 0.000 -0.000 3/23520 970.0 0.301 0.346 0.822 0.000 0.000 -0.000 3/23520 980.0 0.298 0.343 0.813 0.000 0.000 -0.000 3/23520 990.0 0.295 0.339 0.805 0.000 0.000 -0.000 3/23520 1000.0 0.292 0.336 0.797 0.000 0.000 -0.000 3/23520 Thermal conductivity related properties were written into "kappa-m758.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:06:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|