----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:34:19]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.267477511263928 0.000000000000000 0.000000000000000 b 0.000000000000000 15.900716860000003 0.000000000000000 c -3.577112242311685 0.000000000000000 9.998067662728896 Atomic positions (fractional): *1 K 0.24784469253137 0.43216457383688 0.41731679148455 39.098 2 K 0.75215530746863 0.93216457383688 0.08268320851545 39.098 *3 K 0.26097470388862 0.05771722185902 0.57850487374614 39.098 *4 K 0.29987394654542 0.83547057847785 0.08836470585545 39.098 5 K 0.26097470388862 0.44228277814098 0.07850487374614 39.098 6 K 0.24784469253137 0.06783542616312 0.91731679148455 39.098 7 K 0.29987394654542 0.66452942152215 0.58836470585545 39.098 8 K 0.70012605345458 0.33547057847785 0.41163529414455 39.098 9 K 0.73902529611138 0.94228277814098 0.42149512625386 39.098 10 K 0.75215530746863 0.56783542616312 0.58268320851545 39.098 *11 K 0.78381749406199 0.34493852094278 0.10939971968550 39.098 12 K 0.73902529611138 0.55771722185902 0.92149512625386 39.098 13 K 0.21618250593801 0.65506147905722 0.89060028031450 39.098 *14 K 0.77017006932928 0.36992222764378 0.76485471263368 39.098 15 K 0.77017006932928 0.13007777235622 0.26485471263368 39.098 16 K 0.21618250593801 0.84493852094278 0.39060028031450 39.098 17 K 0.22982993067072 0.63007777235622 0.23514528736631 39.098 18 K 0.70012605345458 0.16452942152215 0.91163529414455 39.098 19 K 0.22982993067072 0.86992222764378 0.73514528736632 39.098 20 K 0.78381749406199 0.15506147905722 0.60939971968550 39.098 *21 Li 0.29607186567976 0.27941652845052 0.89527921407875 6.941 22 Li 0.70392813432024 0.77941652845052 0.60472078592125 6.941 23 Li 0.29607186567976 0.22058347154948 0.39527921407875 6.941 24 Li 0.70392813432024 0.72058347154948 0.10472078592125 6.941 *25 Ge 0.26596985390156 0.05420716367045 0.25499449682152 72.640 26 Ge 0.73403014609844 0.55420716367044 0.24500550317848 72.640 *27 Ge 0.76921176195980 0.76591965629358 0.88810862579020 72.640 28 Ge 0.73403014609844 0.94579283632956 0.74500550317848 72.640 29 Ge 0.26596985390156 0.44579283632956 0.75499449682152 72.640 30 Ge 0.23078823804021 0.23408034370642 0.11189137420980 72.640 31 Ge 0.23078823804021 0.26591965629358 0.61189137420980 72.640 32 Ge 0.76921176195980 0.73408034370642 0.38810862579020 72.640 *33 O 0.06479987929300 0.99889078805457 0.30493860595338 15.999 *34 O 0.45010859103053 0.11285824702298 0.38856343439245 15.999 *35 O 0.73399196779786 0.70229217071041 0.74845876728594 15.999 *36 O 0.96553062814991 0.71932990019113 0.03182135422800 15.999 *37 O 0.52348097272277 0.71724839268648 0.42975205473126 15.999 38 O 0.47651902727723 0.28275160731352 0.57024794526874 15.999 39 O 0.26600803220214 0.29770782928959 0.25154123271406 15.999 40 O 0.26600803220214 0.20229217071041 0.75154123271406 15.999 41 O 0.06479987929300 0.50110921194543 0.80493860595338 15.999 42 O 0.93520012070700 0.49889078805457 0.19506139404662 15.999 43 O 0.03446937185009 0.21932990019113 0.46817864577200 15.999 44 O 0.47651902727723 0.21724839268648 0.07024794526874 15.999 *45 O 0.90009107418889 0.63308053958795 0.36953863447772 15.999 46 O 0.54989140896947 0.88714175297702 0.61143656560755 15.999 47 O 0.54989140896947 0.61285824702298 0.11143656560755 15.999 48 O 0.45010859103053 0.38714175297702 0.88856343439245 15.999 49 O 0.52348097272277 0.78275160731352 0.92975205473126 15.999 *50 O 0.41419530167070 0.50768553383812 0.67510956603257 15.999 51 O 0.41419530167070 0.99231446616188 0.17510956603257 15.999 52 O 0.93520012070700 0.00110921194542 0.69506139404662 15.999 53 O 0.09990892581111 0.36691946041205 0.63046136552228 15.999 54 O 0.96553062814991 0.78067009980887 0.53182135422800 15.999 55 O 0.58580469832930 0.00768553383812 0.82489043396743 15.999 56 O 0.73399196779786 0.79770782928959 0.24845876728594 15.999 57 O 0.90009107418889 0.86691946041205 0.86953863447772 15.999 58 O 0.09990892581111 0.13308053958795 0.13046136552228 15.999 59 O 0.03446937185009 0.28067009980887 0.96817864577200 15.999 60 O 0.58580469832930 0.49231446616188 0.32489043396743 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.267477511263928 0.000000000000000 0.000000000000000 b 0.000000000000000 15.900716860000003 0.000000000000000 c -3.577112242311685 0.000000000000000 9.998067662728896 Atomic positions (fractional): *1 K 0.24784469253137 0.43216457383688 0.41731679148455 39.098 > 1 2 K 0.75215530746863 0.93216457383688 0.08268320851545 39.098 > 2 *3 K 0.26097470388862 0.05771722185902 0.57850487374614 39.098 > 3 *4 K 0.29987394654542 0.83547057847785 0.08836470585545 39.098 > 4 5 K 0.26097470388862 0.44228277814098 0.07850487374614 39.098 > 5 6 K 0.24784469253137 0.06783542616312 0.91731679148455 39.098 > 6 7 K 0.29987394654542 0.66452942152215 0.58836470585545 39.098 > 7 8 K 0.70012605345458 0.33547057847785 0.41163529414455 39.098 > 8 9 K 0.73902529611138 0.94228277814098 0.42149512625386 39.098 > 9 10 K 0.75215530746863 0.56783542616312 0.58268320851545 39.098 > 10 *11 K 0.78381749406199 0.34493852094278 0.10939971968550 39.098 > 11 12 K 0.73902529611138 0.55771722185902 0.92149512625386 39.098 > 12 13 K 0.21618250593801 0.65506147905722 0.89060028031450 39.098 > 13 *14 K 0.77017006932928 0.36992222764378 0.76485471263368 39.098 > 14 15 K 0.77017006932928 0.13007777235622 0.26485471263368 39.098 > 15 16 K 0.21618250593801 0.84493852094278 0.39060028031450 39.098 > 16 17 K 0.22982993067072 0.63007777235622 0.23514528736631 39.098 > 17 18 K 0.70012605345458 0.16452942152215 0.91163529414455 39.098 > 18 19 K 0.22982993067072 0.86992222764378 0.73514528736632 39.098 > 19 20 K 0.78381749406199 0.15506147905722 0.60939971968550 39.098 > 20 *21 Li 0.29607186567976 0.27941652845052 0.89527921407875 6.941 > 21 22 Li 0.70392813432024 0.77941652845052 0.60472078592125 6.941 > 22 23 Li 0.29607186567976 0.22058347154948 0.39527921407875 6.941 > 23 24 Li 0.70392813432024 0.72058347154948 0.10472078592125 6.941 > 24 *25 Ge 0.26596985390156 0.05420716367045 0.25499449682152 72.640 > 25 26 Ge 0.73403014609844 0.55420716367044 0.24500550317848 72.640 > 26 *27 Ge 0.76921176195980 0.76591965629358 0.88810862579020 72.640 > 27 28 Ge 0.73403014609844 0.94579283632956 0.74500550317848 72.640 > 28 29 Ge 0.26596985390156 0.44579283632956 0.75499449682152 72.640 > 29 30 Ge 0.23078823804021 0.23408034370642 0.11189137420980 72.640 > 30 31 Ge 0.23078823804021 0.26591965629358 0.61189137420980 72.640 > 31 32 Ge 0.76921176195980 0.73408034370642 0.38810862579020 72.640 > 32 *33 O 0.06479987929300 0.99889078805457 0.30493860595338 15.999 > 33 *34 O 0.45010859103053 0.11285824702298 0.38856343439245 15.999 > 34 *35 O 0.73399196779786 0.70229217071041 0.74845876728594 15.999 > 35 *36 O 0.96553062814991 0.71932990019113 0.03182135422800 15.999 > 36 *37 O 0.52348097272277 0.71724839268648 0.42975205473126 15.999 > 37 38 O 0.47651902727723 0.28275160731352 0.57024794526874 15.999 > 38 39 O 0.26600803220214 0.29770782928959 0.25154123271406 15.999 > 39 40 O 0.26600803220214 0.20229217071041 0.75154123271406 15.999 > 40 41 O 0.06479987929300 0.50110921194543 0.80493860595338 15.999 > 41 42 O 0.93520012070700 0.49889078805457 0.19506139404662 15.999 > 42 43 O 0.03446937185009 0.21932990019113 0.46817864577200 15.999 > 43 44 O 0.47651902727723 0.21724839268648 0.07024794526874 15.999 > 44 *45 O 0.90009107418889 0.63308053958795 0.36953863447772 15.999 > 45 46 O 0.54989140896947 0.88714175297702 0.61143656560755 15.999 > 46 47 O 0.54989140896947 0.61285824702298 0.11143656560755 15.999 > 47 48 O 0.45010859103053 0.38714175297702 0.88856343439245 15.999 > 48 49 O 0.52348097272277 0.78275160731352 0.92975205473126 15.999 > 49 *50 O 0.41419530167070 0.50768553383812 0.67510956603257 15.999 > 50 51 O 0.41419530167070 0.99231446616188 0.17510956603257 15.999 > 51 52 O 0.93520012070700 0.00110921194542 0.69506139404662 15.999 > 52 53 O 0.09990892581111 0.36691946041205 0.63046136552228 15.999 > 53 54 O 0.96553062814991 0.78067009980887 0.53182135422800 15.999 > 54 55 O 0.58580469832930 0.00768553383812 0.82489043396743 15.999 > 55 56 O 0.73399196779786 0.79770782928959 0.24845876728594 15.999 > 56 57 O 0.90009107418889 0.86691946041205 0.86953863447772 15.999 > 57 58 O 0.09990892581111 0.13308053958795 0.13046136552228 15.999 > 58 59 O 0.03446937185009 0.28067009980887 0.96817864577200 15.999 > 59 60 O 0.58580469832930 0.49231446616188 0.32489043396743 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.534955022527855 0.000000000000000 0.000000000000000 b 0.000000000000000 15.900716860000003 0.000000000000000 c -3.577112242311685 0.000000000000000 9.998067662728896 Atomic positions (fractional): *1 K 0.12392234626568 0.43216457383688 0.41731679148455 39.098 > 1 2 K 0.62392234626568 0.43216457383688 0.41731679148455 39.098 > 1 3 K 0.37607765373432 0.93216457383688 0.08268320851545 39.098 > 2 4 K 0.87607765373432 0.93216457383688 0.08268320851545 39.098 > 2 *5 K 0.13048735194431 0.05771722185902 0.57850487374614 39.098 > 3 6 K 0.63048735194431 0.05771722185902 0.57850487374614 39.098 > 3 *7 K 0.14993697327271 0.83547057847785 0.08836470585545 39.098 > 4 8 K 0.64993697327271 0.83547057847785 0.08836470585545 39.098 > 4 9 K 0.13048735194431 0.44228277814098 0.07850487374614 39.098 > 5 10 K 0.63048735194431 0.44228277814098 0.07850487374614 39.098 > 5 11 K 0.12392234626568 0.06783542616312 0.91731679148455 39.098 > 6 12 K 0.62392234626568 0.06783542616312 0.91731679148455 39.098 > 6 13 K 0.14993697327271 0.66452942152215 0.58836470585545 39.098 > 7 14 K 0.64993697327271 0.66452942152215 0.58836470585545 39.098 > 7 15 K 0.35006302672729 0.33547057847785 0.41163529414455 39.098 > 8 16 K 0.85006302672729 0.33547057847785 0.41163529414455 39.098 > 8 17 K 0.36951264805569 0.94228277814098 0.42149512625386 39.098 > 9 18 K 0.86951264805569 0.94228277814098 0.42149512625386 39.098 > 9 19 K 0.37607765373432 0.56783542616312 0.58268320851545 39.098 > 10 20 K 0.87607765373432 0.56783542616312 0.58268320851545 39.098 > 10 *21 K 0.39190874703099 0.34493852094278 0.10939971968550 39.098 > 11 22 K 0.89190874703099 0.34493852094278 0.10939971968550 39.098 > 11 23 K 0.36951264805569 0.55771722185902 0.92149512625386 39.098 > 12 24 K 0.86951264805569 0.55771722185902 0.92149512625386 39.098 > 12 25 K 0.10809125296901 0.65506147905722 0.89060028031450 39.098 > 13 26 K 0.60809125296901 0.65506147905722 0.89060028031450 39.098 > 13 *27 K 0.38508503466464 0.36992222764378 0.76485471263368 39.098 > 14 28 K 0.88508503466464 0.36992222764378 0.76485471263368 39.098 > 14 29 K 0.38508503466464 0.13007777235622 0.26485471263368 39.098 > 15 30 K 0.88508503466464 0.13007777235622 0.26485471263368 39.098 > 15 31 K 0.10809125296901 0.84493852094278 0.39060028031450 39.098 > 16 32 K 0.60809125296901 0.84493852094278 0.39060028031450 39.098 > 16 33 K 0.11491496533536 0.63007777235622 0.23514528736631 39.098 > 17 34 K 0.61491496533536 0.63007777235622 0.23514528736631 39.098 > 17 35 K 0.35006302672729 0.16452942152215 0.91163529414455 39.098 > 18 36 K 0.85006302672729 0.16452942152215 0.91163529414455 39.098 > 18 37 K 0.11491496533536 0.86992222764378 0.73514528736632 39.098 > 19 38 K 0.61491496533536 0.86992222764378 0.73514528736632 39.098 > 19 39 K 0.39190874703099 0.15506147905722 0.60939971968550 39.098 > 20 40 K 0.89190874703099 0.15506147905722 0.60939971968550 39.098 > 20 *41 Li 0.14803593283988 0.27941652845052 0.89527921407875 6.941 > 21 42 Li 0.64803593283988 0.27941652845052 0.89527921407875 6.941 > 21 43 Li 0.35196406716012 0.77941652845052 0.60472078592125 6.941 > 22 44 Li 0.85196406716012 0.77941652845052 0.60472078592125 6.941 > 22 45 Li 0.14803593283988 0.22058347154948 0.39527921407875 6.941 > 23 46 Li 0.64803593283988 0.22058347154948 0.39527921407875 6.941 > 23 47 Li 0.35196406716012 0.72058347154948 0.10472078592125 6.941 > 24 48 Li 0.85196406716012 0.72058347154948 0.10472078592125 6.941 > 24 *49 Ge 0.13298492695078 0.05420716367045 0.25499449682152 72.640 > 25 50 Ge 0.63298492695078 0.05420716367045 0.25499449682152 72.640 > 25 51 Ge 0.36701507304922 0.55420716367044 0.24500550317848 72.640 > 26 52 Ge 0.86701507304922 0.55420716367044 0.24500550317848 72.640 > 26 *53 Ge 0.38460588097990 0.76591965629358 0.88810862579020 72.640 > 27 54 Ge 0.88460588097990 0.76591965629358 0.88810862579020 72.640 > 27 55 Ge 0.36701507304922 0.94579283632956 0.74500550317848 72.640 > 28 56 Ge 0.86701507304922 0.94579283632956 0.74500550317848 72.640 > 28 57 Ge 0.13298492695078 0.44579283632956 0.75499449682152 72.640 > 29 58 Ge 0.63298492695078 0.44579283632956 0.75499449682152 72.640 > 29 59 Ge 0.11539411902010 0.23408034370642 0.11189137420980 72.640 > 30 60 Ge 0.61539411902010 0.23408034370642 0.11189137420980 72.640 > 30 61 Ge 0.11539411902010 0.26591965629358 0.61189137420980 72.640 > 31 62 Ge 0.61539411902010 0.26591965629358 0.61189137420980 72.640 > 31 63 Ge 0.38460588097990 0.73408034370642 0.38810862579020 72.640 > 32 64 Ge 0.88460588097990 0.73408034370642 0.38810862579020 72.640 > 32 *65 O 0.03239993964650 0.99889078805457 0.30493860595338 15.999 > 33 66 O 0.53239993964650 0.99889078805457 0.30493860595338 15.999 > 33 *67 O 0.22505429551527 0.11285824702298 0.38856343439245 15.999 > 34 68 O 0.72505429551527 0.11285824702298 0.38856343439245 15.999 > 34 *69 O 0.36699598389893 0.70229217071041 0.74845876728594 15.999 > 35 70 O 0.86699598389893 0.70229217071041 0.74845876728594 15.999 > 35 *71 O 0.48276531407496 0.71932990019113 0.03182135422800 15.999 > 36 72 O 0.98276531407496 0.71932990019113 0.03182135422800 15.999 > 36 *73 O 0.26174048636138 0.71724839268648 0.42975205473126 15.999 > 37 74 O 0.76174048636138 0.71724839268648 0.42975205473126 15.999 > 37 75 O 0.23825951363862 0.28275160731352 0.57024794526874 15.999 > 38 76 O 0.73825951363862 0.28275160731352 0.57024794526874 15.999 > 38 77 O 0.13300401610107 0.29770782928959 0.25154123271406 15.999 > 39 78 O 0.63300401610107 0.29770782928959 0.25154123271406 15.999 > 39 79 O 0.13300401610107 0.20229217071041 0.75154123271406 15.999 > 40 80 O 0.63300401610107 0.20229217071041 0.75154123271406 15.999 > 40 81 O 0.03239993964650 0.50110921194543 0.80493860595338 15.999 > 41 82 O 0.53239993964650 0.50110921194543 0.80493860595338 15.999 > 41 83 O 0.46760006035350 0.49889078805457 0.19506139404662 15.999 > 42 84 O 0.96760006035350 0.49889078805457 0.19506139404662 15.999 > 42 85 O 0.01723468592504 0.21932990019113 0.46817864577200 15.999 > 43 86 O 0.51723468592504 0.21932990019113 0.46817864577200 15.999 > 43 87 O 0.23825951363862 0.21724839268648 0.07024794526874 15.999 > 44 88 O 0.73825951363862 0.21724839268648 0.07024794526874 15.999 > 44 *89 O 0.45004553709445 0.63308053958795 0.36953863447772 15.999 > 45 90 O 0.95004553709444 0.63308053958795 0.36953863447772 15.999 > 45 91 O 0.27494570448473 0.88714175297702 0.61143656560755 15.999 > 46 92 O 0.77494570448473 0.88714175297702 0.61143656560755 15.999 > 46 93 O 0.27494570448473 0.61285824702298 0.11143656560755 15.999 > 47 94 O 0.77494570448473 0.61285824702298 0.11143656560755 15.999 > 47 95 O 0.22505429551527 0.38714175297702 0.88856343439245 15.999 > 48 96 O 0.72505429551527 0.38714175297702 0.88856343439245 15.999 > 48 97 O 0.26174048636138 0.78275160731352 0.92975205473126 15.999 > 49 98 O 0.76174048636138 0.78275160731352 0.92975205473126 15.999 > 49 *99 O 0.20709765083535 0.50768553383812 0.67510956603257 15.999 > 50 100 O 0.70709765083535 0.50768553383812 0.67510956603257 15.999 > 50 101 O 0.20709765083535 0.99231446616188 0.17510956603257 15.999 > 51 102 O 0.70709765083535 0.99231446616188 0.17510956603257 15.999 > 51 103 O 0.46760006035350 0.00110921194542 0.69506139404662 15.999 > 52 104 O 0.96760006035350 0.00110921194542 0.69506139404662 15.999 > 52 105 O 0.04995446290555 0.36691946041205 0.63046136552228 15.999 > 53 106 O 0.54995446290556 0.36691946041205 0.63046136552228 15.999 > 53 107 O 0.48276531407496 0.78067009980887 0.53182135422800 15.999 > 54 108 O 0.98276531407496 0.78067009980887 0.53182135422800 15.999 > 54 109 O 0.29290234916465 0.00768553383812 0.82489043396743 15.999 > 55 110 O 0.79290234916465 0.00768553383812 0.82489043396743 15.999 > 55 111 O 0.36699598389893 0.79770782928959 0.24845876728594 15.999 > 56 112 O 0.86699598389893 0.79770782928959 0.24845876728594 15.999 > 56 113 O 0.45004553709445 0.86691946041205 0.86953863447772 15.999 > 57 114 O 0.95004553709444 0.86691946041205 0.86953863447772 15.999 > 57 115 O 0.04995446290555 0.13308053958795 0.13046136552228 15.999 > 58 116 O 0.54995446290556 0.13308053958795 0.13046136552228 15.999 > 58 117 O 0.01723468592504 0.28067009980887 0.96817864577200 15.999 > 59 118 O 0.51723468592504 0.28067009980887 0.96817864577200 15.999 > 59 119 O 0.29290234916465 0.49231446616188 0.32489043396743 15.999 > 60 120 O 0.79290234916465 0.49231446616188 0.32489043396743 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7631768 0.0000000 -0.0269233 0.0000000 2.8093328 0.0000000 -0.0268855 0.0000000 2.7797647 -------------------------- Born effective charges -------------------------- 1 K 1.0812971 -0.0181907 -0.0647451 -0.0106190 1.1978536 -0.1172372 -0.0919367 -0.0639109 1.3456690 2 K 1.0812971 0.0181907 -0.0647451 0.0106190 1.1978536 0.1172372 -0.0919367 0.0639109 1.3456690 3 K 1.1029388 -0.0679641 -0.0939535 -0.0441965 1.1861683 -0.1132930 -0.0926256 -0.0630852 1.2096642 4 K 1.2606948 -0.0696194 0.0887228 -0.0419205 1.1696305 0.0779007 0.1632221 0.1203699 1.1748186 5 K 1.1029388 0.0679641 -0.0939535 0.0441965 1.1861683 0.1132930 -0.0926256 0.0630852 1.2096642 6 K 1.0812971 0.0181907 -0.0647451 0.0106190 1.1978536 0.1172372 -0.0919367 0.0639109 1.3456690 7 K 1.2606948 0.0696194 0.0887228 0.0419205 1.1696305 -0.0779007 0.1632221 -0.1203699 1.1748186 8 K 1.2606948 0.0696194 0.0887228 0.0419205 1.1696305 -0.0779007 0.1632221 -0.1203699 1.1748186 9 K 1.1029388 -0.0679641 -0.0939535 -0.0441965 1.1861683 -0.1132930 -0.0926256 -0.0630852 1.2096642 10 K 1.0812971 -0.0181907 -0.0647451 -0.0106190 1.1978536 -0.1172372 -0.0919367 -0.0639109 1.3456690 11 K 1.2371993 -0.0282156 0.1163962 -0.0567592 1.1983108 0.0515622 0.1293731 0.0190444 1.0953013 12 K 1.1029388 0.0679641 -0.0939535 0.0441965 1.1861683 0.1132930 -0.0926256 0.0630852 1.2096642 13 K 1.2371993 -0.0282156 0.1163962 -0.0567592 1.1983108 0.0515622 0.1293731 0.0190444 1.0953013 14 K 1.3976346 0.0457998 0.1106989 -0.0251531 1.0115246 -0.0081890 0.1015751 -0.0321086 1.0489677 15 K 1.3976346 -0.0457998 0.1106989 0.0251531 1.0115246 0.0081890 0.1015751 0.0321086 1.0489677 16 K 1.2371993 0.0282156 0.1163962 0.0567592 1.1983108 -0.0515622 0.1293731 -0.0190444 1.0953013 17 K 1.3976346 0.0457998 0.1106989 -0.0251531 1.0115246 -0.0081890 0.1015751 -0.0321086 1.0489677 18 K 1.2606948 -0.0696194 0.0887228 -0.0419205 1.1696305 0.0779007 0.1632221 0.1203699 1.1748186 19 K 1.3976346 -0.0457998 0.1106989 0.0251531 1.0115246 0.0081890 0.1015751 0.0321086 1.0489677 20 K 1.2371993 0.0282156 0.1163962 0.0567592 1.1983108 -0.0515622 0.1293731 -0.0190444 1.0953013 21 Li 0.7395149 0.0463061 -0.1773130 0.0990250 0.8644467 -0.1079380 -0.1956103 -0.0690335 1.0723065 22 Li 0.7395149 -0.0463061 -0.1773130 -0.0990250 0.8644467 0.1079380 -0.1956103 0.0690335 1.0723065 23 Li 0.7395149 -0.0463061 -0.1773130 -0.0990250 0.8644467 0.1079380 -0.1956103 0.0690335 1.0723065 24 Li 0.7395149 0.0463061 -0.1773130 0.0990250 0.8644467 -0.1079380 -0.1956103 -0.0690335 1.0723065 25 Ge 2.5412675 0.1072064 -0.2140758 -0.1640164 2.9043744 -0.2520209 -0.1177491 -0.0267615 2.5832989 26 Ge 2.5412675 -0.1072064 -0.2140758 0.1640164 2.9043744 0.2520209 -0.1177491 0.0267615 2.5832989 27 Ge 2.4578782 -0.1286056 -0.0648078 0.1323680 2.8575859 -0.1329361 -0.2442443 -0.3796718 2.7320604 28 Ge 2.5412675 0.1072064 -0.2140758 -0.1640164 2.9043744 -0.2520209 -0.1177491 -0.0267615 2.5832989 29 Ge 2.5412675 -0.1072064 -0.2140758 0.1640164 2.9043744 0.2520209 -0.1177491 0.0267615 2.5832989 30 Ge 2.4578782 -0.1286056 -0.0648078 0.1323680 2.8575859 -0.1329361 -0.2442443 -0.3796718 2.7320604 31 Ge 2.4578782 0.1286056 -0.0648078 -0.1323680 2.8575859 0.1329361 -0.2442443 0.3796718 2.7320604 32 Ge 2.4578782 0.1286056 -0.0648078 -0.1323680 2.8575859 0.1329361 -0.2442443 0.3796718 2.7320604 33 O -2.0093055 -0.3272712 0.2124141 -0.4055858 -1.7581343 0.1624904 0.2169348 0.1196713 -1.4757457 34 O -1.5135138 -0.1148415 -0.1603152 -0.0637982 -1.6385789 -0.2414263 -0.1908532 -0.3388826 -1.9483663 35 O -1.3152276 0.0891437 0.1098607 0.0803791 -1.7088160 -0.3307958 0.1145297 -0.2496780 -1.9869645 36 O -1.6760715 0.1816554 -0.2676043 0.1261440 -1.5568231 0.3399353 -0.2216755 0.3568846 -1.9785538 37 O -2.1609060 -0.1530784 0.2039921 -0.0836546 -1.4209243 -0.0659377 0.1988271 -0.0854378 -1.5742671 38 O -2.1609060 -0.1530784 0.2039921 -0.0836546 -1.4209243 -0.0659377 0.1988271 -0.0854378 -1.5742671 39 O -1.3152276 0.0891437 0.1098607 0.0803791 -1.7088160 -0.3307958 0.1145297 -0.2496780 -1.9869645 40 O -1.3152276 -0.0891437 0.1098607 -0.0803791 -1.7088160 0.3307958 0.1145297 0.2496780 -1.9869645 41 O -2.0093055 0.3272712 0.2124141 0.4055858 -1.7581343 -0.1624904 0.2169348 -0.1196713 -1.4757457 42 O -2.0093055 0.3272712 0.2124141 0.4055858 -1.7581343 -0.1624904 0.2169348 -0.1196713 -1.4757457 43 O -1.6760715 -0.1816554 -0.2676043 -0.1261440 -1.5568231 -0.3399353 -0.2216755 -0.3568846 -1.9785538 44 O -2.1609060 0.1530784 0.2039921 0.0836546 -1.4209243 0.0659377 0.1988271 0.0854378 -1.5742671 45 O -1.3963140 0.1330172 -0.0884996 0.1697915 -2.4817649 -0.6436540 -0.0336722 -0.6775957 -1.6853777 46 O -1.5135138 -0.1148415 -0.1603152 -0.0637982 -1.6385789 -0.2414263 -0.1908532 -0.3388826 -1.9483663 47 O -1.5135138 0.1148415 -0.1603152 0.0637982 -1.6385789 0.2414263 -0.1908532 0.3388826 -1.9483663 48 O -1.5135138 0.1148415 -0.1603152 0.0637982 -1.6385789 0.2414263 -0.1908532 0.3388826 -1.9483663 49 O -2.1609060 0.1530784 0.2039921 0.0836546 -1.4209243 0.0659377 0.1988271 0.0854378 -1.5742671 50 O -1.7470869 -0.3195837 0.2892295 -0.4264030 -1.8248533 0.2555344 0.2639050 0.2423913 -1.6128114 51 O -1.7470869 0.3195837 0.2892295 0.4264030 -1.8248533 -0.2555344 0.2639050 -0.2423913 -1.6128114 52 O -2.0093055 -0.3272712 0.2124141 -0.4055858 -1.7581343 0.1624904 0.2169348 0.1196713 -1.4757457 53 O -1.3963140 0.1330172 -0.0884996 0.1697915 -2.4817649 -0.6436540 -0.0336722 -0.6775957 -1.6853777 54 O -1.6760715 -0.1816554 -0.2676043 -0.1261440 -1.5568231 -0.3399353 -0.2216755 -0.3568846 -1.9785538 55 O -1.7470869 0.3195837 0.2892295 0.4264030 -1.8248533 -0.2555344 0.2639050 -0.2423913 -1.6128114 56 O -1.3152276 -0.0891437 0.1098607 -0.0803791 -1.7088160 0.3307958 0.1145297 0.2496780 -1.9869645 57 O -1.3963140 -0.1330172 -0.0884996 -0.1697915 -2.4817649 0.6436540 -0.0336722 0.6775957 -1.6853777 58 O -1.3963140 -0.1330172 -0.0884996 -0.1697915 -2.4817649 0.6436540 -0.0336722 0.6775957 -1.6853777 59 O -1.6760715 0.1816554 -0.2676043 0.1261440 -1.5568231 0.3399353 -0.2216755 0.3568846 -1.9785538 60 O -1.7470869 -0.3195837 0.2892295 -0.4264030 -1.8248533 0.2555344 0.2639050 0.2423913 -1.6128114 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1800 / 1800 (1) 283 eigenvectors found. (1) Complementary block size: 105 (1) Compute compressed projector. (1) Use standard solver. (1) 75 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1800 / 1800 (1) 283 eigenvectors found. (1) Complementary block size: 105 (1) Compute compressed projector. (1) Use standard solver. (1) 75 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 75), data: (1800, 105) @ (105, 75) |-- (300, 283), data: True |-- (500, 472), data: False |-- (500, 20), data: (500, 48) @ (48, 20) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 224), data: True |-- (250, 223), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 75), data: (1800, 105) @ (105, 75) |-- (300, 283), data: True |-- (500, 472), data: False |-- (500, 20), data: (500, 48) @ (48, 20) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 224), data: True |-- (250, 223), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 3.993 Solver_block: 200 / 1840 - Time: 3.633 Solver_block: 300 / 1840 - Time: 3.999 Solver_block: 400 / 1840 - Time: 3.189 Solver_block: 500 / 1840 - Time: 4.228 Solver_block: 600 / 1840 - Time: 3.708 Solver_block: 700 / 1840 - Time: 3.647 Solver_block: 800 / 1840 - Time: 3.430 Solver_block: 900 / 1840 - Time: 3.517 Solver_block: 1000 / 1840 - Time: 4.286 Solver_block: 1100 / 1840 - Time: 4.000 Solver_block: 1200 / 1840 - Time: 3.985 Solver_block: 1300 / 1840 - Time: 3.138 Solver_block: 1400 / 1840 - Time: 3.823 Solver_block: 1500 / 1840 - Time: 3.968 Solver_block: 1600 / 1840 - Time: 3.576 Solver_block: 1700 / 1840 - Time: 3.608 Solver_block: 1800 / 1840 - Time: 3.251 Solver_block: 1840 / 1840 - Time: 1.376 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 71.312 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1800 / 1800 (1) 283 eigenvectors found. (1) Complementary block size: 105 (1) Compute compressed projector. (1) Use standard solver. (1) 75 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1800 / 1800 (1) 283 eigenvectors found. (1) Complementary block size: 105 (1) Compute compressed projector. (1) Use standard solver. (1) 75 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 75), data: (1800, 105) @ (105, 75) |-- (300, 283), data: True |-- (500, 472), data: False |-- (500, 20), data: (500, 48) @ (48, 20) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 224), data: True |-- (250, 223), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 75), data: (1800, 105) @ (105, 75) |-- (300, 283), data: True |-- (500, 472), data: False |-- (500, 20), data: (500, 48) @ (48, 20) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 23), data: (500, 53) @ (53, 23) |-- (250, 224), data: True |-- (250, 223), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), 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 13:37:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:37:35]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.267477511263928 0.000000000000000 0.000000000000000 b 0.000000000000000 15.900716860000003 0.000000000000000 c -3.577112242311685 0.000000000000000 9.998067662728896 Atomic positions (fractional): 1 K 0.24784469253137 0.43216457383688 0.41731679148455 39.098 2 K 0.75215530746863 0.93216457383688 0.08268320851545 39.098 3 K 0.26097470388862 0.05771722185902 0.57850487374614 39.098 4 K 0.29987394654542 0.83547057847785 0.08836470585545 39.098 5 K 0.26097470388862 0.44228277814098 0.07850487374614 39.098 6 K 0.24784469253137 0.06783542616312 0.91731679148455 39.098 7 K 0.29987394654542 0.66452942152215 0.58836470585545 39.098 8 K 0.70012605345458 0.33547057847785 0.41163529414455 39.098 9 K 0.73902529611138 0.94228277814098 0.42149512625386 39.098 10 K 0.75215530746863 0.56783542616312 0.58268320851545 39.098 11 K 0.78381749406199 0.34493852094278 0.10939971968550 39.098 12 K 0.73902529611138 0.55771722185902 0.92149512625386 39.098 13 K 0.21618250593801 0.65506147905722 0.89060028031450 39.098 14 K 0.77017006932928 0.36992222764378 0.76485471263368 39.098 15 K 0.77017006932928 0.13007777235622 0.26485471263368 39.098 16 K 0.21618250593801 0.84493852094278 0.39060028031450 39.098 17 K 0.22982993067072 0.63007777235622 0.23514528736631 39.098 18 K 0.70012605345458 0.16452942152215 0.91163529414455 39.098 19 K 0.22982993067072 0.86992222764378 0.73514528736632 39.098 20 K 0.78381749406199 0.15506147905722 0.60939971968550 39.098 21 Li 0.29607186567976 0.27941652845052 0.89527921407875 6.941 22 Li 0.70392813432024 0.77941652845052 0.60472078592125 6.941 23 Li 0.29607186567976 0.22058347154948 0.39527921407875 6.941 24 Li 0.70392813432024 0.72058347154948 0.10472078592125 6.941 25 Ge 0.26596985390156 0.05420716367045 0.25499449682152 72.640 26 Ge 0.73403014609844 0.55420716367044 0.24500550317848 72.640 27 Ge 0.76921176195980 0.76591965629358 0.88810862579020 72.640 28 Ge 0.73403014609844 0.94579283632956 0.74500550317848 72.640 29 Ge 0.26596985390156 0.44579283632956 0.75499449682152 72.640 30 Ge 0.23078823804021 0.23408034370642 0.11189137420980 72.640 31 Ge 0.23078823804021 0.26591965629358 0.61189137420980 72.640 32 Ge 0.76921176195980 0.73408034370642 0.38810862579020 72.640 33 O 0.06479987929300 0.99889078805457 0.30493860595338 15.999 34 O 0.45010859103053 0.11285824702298 0.38856343439245 15.999 35 O 0.73399196779786 0.70229217071041 0.74845876728594 15.999 36 O 0.96553062814991 0.71932990019113 0.03182135422800 15.999 37 O 0.52348097272277 0.71724839268648 0.42975205473126 15.999 38 O 0.47651902727723 0.28275160731352 0.57024794526874 15.999 39 O 0.26600803220214 0.29770782928959 0.25154123271406 15.999 40 O 0.26600803220214 0.20229217071041 0.75154123271406 15.999 41 O 0.06479987929300 0.50110921194543 0.80493860595338 15.999 42 O 0.93520012070700 0.49889078805457 0.19506139404662 15.999 43 O 0.03446937185009 0.21932990019113 0.46817864577200 15.999 44 O 0.47651902727723 0.21724839268648 0.07024794526874 15.999 45 O 0.90009107418889 0.63308053958795 0.36953863447772 15.999 46 O 0.54989140896947 0.88714175297702 0.61143656560755 15.999 47 O 0.54989140896947 0.61285824702298 0.11143656560755 15.999 48 O 0.45010859103053 0.38714175297702 0.88856343439245 15.999 49 O 0.52348097272277 0.78275160731352 0.92975205473126 15.999 50 O 0.41419530167070 0.50768553383812 0.67510956603257 15.999 51 O 0.41419530167070 0.99231446616188 0.17510956603257 15.999 52 O 0.93520012070700 0.00110921194542 0.69506139404662 15.999 53 O 0.09990892581111 0.36691946041205 0.63046136552228 15.999 54 O 0.96553062814991 0.78067009980887 0.53182135422800 15.999 55 O 0.58580469832930 0.00768553383812 0.82489043396743 15.999 56 O 0.73399196779786 0.79770782928959 0.24845876728594 15.999 57 O 0.90009107418889 0.86691946041205 0.86953863447772 15.999 58 O 0.09990892581111 0.13308053958795 0.13046136552228 15.999 59 O 0.03446937185009 0.28067009980887 0.96817864577200 15.999 60 O 0.58580469832930 0.49231446616188 0.32489043396743 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.534955022527855 0.000000000000000 0.000000000000000 b 0.000000000000000 15.900716860000003 0.000000000000000 c -3.577112242311685 0.000000000000000 9.998067662728896 Atomic positions (fractional): 1 K 0.12392234626568 0.43216457383688 0.41731679148455 39.098 > 1 2 K 0.62392234626568 0.43216457383688 0.41731679148455 39.098 > 1 3 K 0.37607765373432 0.93216457383688 0.08268320851545 39.098 > 3 4 K 0.87607765373432 0.93216457383688 0.08268320851545 39.098 > 3 5 K 0.13048735194431 0.05771722185902 0.57850487374614 39.098 > 5 6 K 0.63048735194431 0.05771722185902 0.57850487374614 39.098 > 5 7 K 0.14993697327271 0.83547057847785 0.08836470585545 39.098 > 7 8 K 0.64993697327271 0.83547057847785 0.08836470585545 39.098 > 7 9 K 0.13048735194431 0.44228277814098 0.07850487374614 39.098 > 9 10 K 0.63048735194431 0.44228277814098 0.07850487374614 39.098 > 9 11 K 0.12392234626568 0.06783542616312 0.91731679148455 39.098 > 11 12 K 0.62392234626568 0.06783542616312 0.91731679148455 39.098 > 11 13 K 0.14993697327271 0.66452942152215 0.58836470585545 39.098 > 13 14 K 0.64993697327271 0.66452942152215 0.58836470585545 39.098 > 13 15 K 0.35006302672729 0.33547057847785 0.41163529414455 39.098 > 15 16 K 0.85006302672729 0.33547057847785 0.41163529414455 39.098 > 15 17 K 0.36951264805569 0.94228277814098 0.42149512625386 39.098 > 17 18 K 0.86951264805569 0.94228277814098 0.42149512625386 39.098 > 17 19 K 0.37607765373432 0.56783542616312 0.58268320851545 39.098 > 19 20 K 0.87607765373432 0.56783542616312 0.58268320851545 39.098 > 19 21 K 0.39190874703099 0.34493852094278 0.10939971968550 39.098 > 21 22 K 0.89190874703099 0.34493852094278 0.10939971968550 39.098 > 21 23 K 0.36951264805569 0.55771722185902 0.92149512625386 39.098 > 23 24 K 0.86951264805569 0.55771722185902 0.92149512625386 39.098 > 23 25 K 0.10809125296901 0.65506147905722 0.89060028031450 39.098 > 25 26 K 0.60809125296901 0.65506147905722 0.89060028031450 39.098 > 25 27 K 0.38508503466464 0.36992222764378 0.76485471263368 39.098 > 27 28 K 0.88508503466464 0.36992222764378 0.76485471263368 39.098 > 27 29 K 0.38508503466464 0.13007777235622 0.26485471263368 39.098 > 29 30 K 0.88508503466464 0.13007777235622 0.26485471263368 39.098 > 29 31 K 0.10809125296901 0.84493852094278 0.39060028031450 39.098 > 31 32 K 0.60809125296901 0.84493852094278 0.39060028031450 39.098 > 31 33 K 0.11491496533536 0.63007777235622 0.23514528736631 39.098 > 33 34 K 0.61491496533536 0.63007777235622 0.23514528736631 39.098 > 33 35 K 0.35006302672729 0.16452942152215 0.91163529414455 39.098 > 35 36 K 0.85006302672729 0.16452942152215 0.91163529414455 39.098 > 35 37 K 0.11491496533536 0.86992222764378 0.73514528736632 39.098 > 37 38 K 0.61491496533536 0.86992222764378 0.73514528736632 39.098 > 37 39 K 0.39190874703099 0.15506147905722 0.60939971968550 39.098 > 39 40 K 0.89190874703099 0.15506147905722 0.60939971968550 39.098 > 39 41 Li 0.14803593283988 0.27941652845052 0.89527921407875 6.941 > 41 42 Li 0.64803593283988 0.27941652845052 0.89527921407875 6.941 > 41 43 Li 0.35196406716012 0.77941652845052 0.60472078592125 6.941 > 43 44 Li 0.85196406716012 0.77941652845052 0.60472078592125 6.941 > 43 45 Li 0.14803593283988 0.22058347154948 0.39527921407875 6.941 > 45 46 Li 0.64803593283988 0.22058347154948 0.39527921407875 6.941 > 45 47 Li 0.35196406716012 0.72058347154948 0.10472078592125 6.941 > 47 48 Li 0.85196406716012 0.72058347154948 0.10472078592125 6.941 > 47 49 Ge 0.13298492695078 0.05420716367045 0.25499449682152 72.640 > 49 50 Ge 0.63298492695078 0.05420716367045 0.25499449682152 72.640 > 49 51 Ge 0.36701507304922 0.55420716367044 0.24500550317848 72.640 > 51 52 Ge 0.86701507304922 0.55420716367044 0.24500550317848 72.640 > 51 53 Ge 0.38460588097990 0.76591965629358 0.88810862579020 72.640 > 53 54 Ge 0.88460588097990 0.76591965629358 0.88810862579020 72.640 > 53 55 Ge 0.36701507304922 0.94579283632956 0.74500550317848 72.640 > 55 56 Ge 0.86701507304922 0.94579283632956 0.74500550317848 72.640 > 55 57 Ge 0.13298492695078 0.44579283632956 0.75499449682152 72.640 > 57 58 Ge 0.63298492695078 0.44579283632956 0.75499449682152 72.640 > 57 59 Ge 0.11539411902010 0.23408034370642 0.11189137420980 72.640 > 59 60 Ge 0.61539411902010 0.23408034370642 0.11189137420980 72.640 > 59 61 Ge 0.11539411902010 0.26591965629358 0.61189137420980 72.640 > 61 62 Ge 0.61539411902010 0.26591965629358 0.61189137420980 72.640 > 61 63 Ge 0.38460588097990 0.73408034370642 0.38810862579020 72.640 > 63 64 Ge 0.88460588097990 0.73408034370642 0.38810862579020 72.640 > 63 65 O 0.03239993964650 0.99889078805457 0.30493860595338 15.999 > 65 66 O 0.53239993964650 0.99889078805457 0.30493860595338 15.999 > 65 67 O 0.22505429551527 0.11285824702298 0.38856343439245 15.999 > 67 68 O 0.72505429551527 0.11285824702298 0.38856343439245 15.999 > 67 69 O 0.36699598389893 0.70229217071041 0.74845876728594 15.999 > 69 70 O 0.86699598389893 0.70229217071041 0.74845876728594 15.999 > 69 71 O 0.48276531407496 0.71932990019113 0.03182135422800 15.999 > 71 72 O 0.98276531407496 0.71932990019113 0.03182135422800 15.999 > 71 73 O 0.26174048636138 0.71724839268648 0.42975205473126 15.999 > 73 74 O 0.76174048636138 0.71724839268648 0.42975205473126 15.999 > 73 75 O 0.23825951363862 0.28275160731352 0.57024794526874 15.999 > 75 76 O 0.73825951363862 0.28275160731352 0.57024794526874 15.999 > 75 77 O 0.13300401610107 0.29770782928959 0.25154123271406 15.999 > 77 78 O 0.63300401610107 0.29770782928959 0.25154123271406 15.999 > 77 79 O 0.13300401610107 0.20229217071041 0.75154123271406 15.999 > 79 80 O 0.63300401610107 0.20229217071041 0.75154123271406 15.999 > 79 81 O 0.03239993964650 0.50110921194543 0.80493860595338 15.999 > 81 82 O 0.53239993964650 0.50110921194543 0.80493860595338 15.999 > 81 83 O 0.46760006035350 0.49889078805457 0.19506139404662 15.999 > 83 84 O 0.96760006035350 0.49889078805457 0.19506139404662 15.999 > 83 85 O 0.01723468592504 0.21932990019113 0.46817864577200 15.999 > 85 86 O 0.51723468592504 0.21932990019113 0.46817864577200 15.999 > 85 87 O 0.23825951363862 0.21724839268648 0.07024794526874 15.999 > 87 88 O 0.73825951363862 0.21724839268648 0.07024794526874 15.999 > 87 89 O 0.45004553709445 0.63308053958795 0.36953863447772 15.999 > 89 90 O 0.95004553709444 0.63308053958795 0.36953863447772 15.999 > 89 91 O 0.27494570448473 0.88714175297702 0.61143656560755 15.999 > 91 92 O 0.77494570448473 0.88714175297702 0.61143656560755 15.999 > 91 93 O 0.27494570448473 0.61285824702298 0.11143656560755 15.999 > 93 94 O 0.77494570448473 0.61285824702298 0.11143656560755 15.999 > 93 95 O 0.22505429551527 0.38714175297702 0.88856343439245 15.999 > 95 96 O 0.72505429551527 0.38714175297702 0.88856343439245 15.999 > 95 97 O 0.26174048636138 0.78275160731352 0.92975205473126 15.999 > 97 98 O 0.76174048636138 0.78275160731352 0.92975205473126 15.999 > 97 99 O 0.20709765083535 0.50768553383812 0.67510956603257 15.999 > 99 100 O 0.70709765083535 0.50768553383812 0.67510956603257 15.999 > 99 101 O 0.20709765083535 0.99231446616188 0.17510956603257 15.999 > 101 102 O 0.70709765083535 0.99231446616188 0.17510956603257 15.999 > 101 103 O 0.46760006035350 0.00110921194542 0.69506139404662 15.999 > 103 104 O 0.96760006035350 0.00110921194542 0.69506139404662 15.999 > 103 105 O 0.04995446290555 0.36691946041205 0.63046136552228 15.999 > 105 106 O 0.54995446290556 0.36691946041205 0.63046136552228 15.999 > 105 107 O 0.48276531407496 0.78067009980887 0.53182135422800 15.999 > 107 108 O 0.98276531407496 0.78067009980887 0.53182135422800 15.999 > 107 109 O 0.29290234916465 0.00768553383812 0.82489043396743 15.999 > 109 110 O 0.79290234916465 0.00768553383812 0.82489043396743 15.999 > 109 111 O 0.36699598389893 0.79770782928959 0.24845876728594 15.999 > 111 112 O 0.86699598389893 0.79770782928959 0.24845876728594 15.999 > 111 113 O 0.45004553709445 0.86691946041205 0.86953863447772 15.999 > 113 114 O 0.95004553709444 0.86691946041205 0.86953863447772 15.999 > 113 115 O 0.04995446290555 0.13308053958795 0.13046136552228 15.999 > 115 116 O 0.54995446290556 0.13308053958795 0.13046136552228 15.999 > 115 117 O 0.01723468592504 0.28067009980887 0.96817864577200 15.999 > 117 118 O 0.51723468592504 0.28067009980887 0.96817864577200 15.999 > 117 119 O 0.29290234916465 0.49231446616188 0.32489043396743 15.999 > 119 120 O 0.79290234916465 0.49231446616188 0.32489043396743 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7631768 0.0000000 -0.0269233 0.0000000 2.8093328 0.0000000 -0.0268855 0.0000000 2.7797647 -------------------------- Born effective charges -------------------------- 1 K 1.0812971 -0.0181907 -0.0647451 -0.0106190 1.1978536 -0.1172372 -0.0919367 -0.0639109 1.3456690 2 K 1.0812971 0.0181907 -0.0647451 0.0106190 1.1978536 0.1172372 -0.0919367 0.0639109 1.3456690 3 K 1.1029388 -0.0679641 -0.0939535 -0.0441965 1.1861683 -0.1132930 -0.0926256 -0.0630852 1.2096642 4 K 1.2606948 -0.0696194 0.0887228 -0.0419205 1.1696305 0.0779007 0.1632221 0.1203699 1.1748186 5 K 1.1029388 0.0679641 -0.0939535 0.0441965 1.1861683 0.1132930 -0.0926256 0.0630852 1.2096642 6 K 1.0812971 0.0181907 -0.0647451 0.0106190 1.1978536 0.1172372 -0.0919367 0.0639109 1.3456690 7 K 1.2606948 0.0696194 0.0887228 0.0419205 1.1696305 -0.0779007 0.1632221 -0.1203699 1.1748186 8 K 1.2606948 0.0696194 0.0887228 0.0419205 1.1696305 -0.0779007 0.1632221 -0.1203699 1.1748186 9 K 1.1029388 -0.0679641 -0.0939535 -0.0441965 1.1861683 -0.1132930 -0.0926256 -0.0630852 1.2096642 10 K 1.0812971 -0.0181907 -0.0647451 -0.0106190 1.1978536 -0.1172372 -0.0919367 -0.0639109 1.3456690 11 K 1.2371993 -0.0282156 0.1163962 -0.0567592 1.1983108 0.0515622 0.1293731 0.0190444 1.0953013 12 K 1.1029388 0.0679641 -0.0939535 0.0441965 1.1861683 0.1132930 -0.0926256 0.0630852 1.2096642 13 K 1.2371993 -0.0282156 0.1163962 -0.0567592 1.1983108 0.0515622 0.1293731 0.0190444 1.0953013 14 K 1.3976346 0.0457998 0.1106989 -0.0251531 1.0115246 -0.0081890 0.1015751 -0.0321086 1.0489677 15 K 1.3976346 -0.0457998 0.1106989 0.0251531 1.0115246 0.0081890 0.1015751 0.0321086 1.0489677 16 K 1.2371993 0.0282156 0.1163962 0.0567592 1.1983108 -0.0515622 0.1293731 -0.0190444 1.0953013 17 K 1.3976346 0.0457998 0.1106989 -0.0251531 1.0115246 -0.0081890 0.1015751 -0.0321086 1.0489677 18 K 1.2606948 -0.0696194 0.0887228 -0.0419205 1.1696305 0.0779007 0.1632221 0.1203699 1.1748186 19 K 1.3976346 -0.0457998 0.1106989 0.0251531 1.0115246 0.0081890 0.1015751 0.0321086 1.0489677 20 K 1.2371993 0.0282156 0.1163962 0.0567592 1.1983108 -0.0515622 0.1293731 -0.0190444 1.0953013 21 Li 0.7395149 0.0463061 -0.1773130 0.0990250 0.8644467 -0.1079380 -0.1956103 -0.0690335 1.0723065 22 Li 0.7395149 -0.0463061 -0.1773130 -0.0990250 0.8644467 0.1079380 -0.1956103 0.0690335 1.0723065 23 Li 0.7395149 -0.0463061 -0.1773130 -0.0990250 0.8644467 0.1079380 -0.1956103 0.0690335 1.0723065 24 Li 0.7395149 0.0463061 -0.1773130 0.0990250 0.8644467 -0.1079380 -0.1956103 -0.0690335 1.0723065 25 Ge 2.5412675 0.1072064 -0.2140758 -0.1640164 2.9043744 -0.2520209 -0.1177491 -0.0267615 2.5832989 26 Ge 2.5412675 -0.1072064 -0.2140758 0.1640164 2.9043744 0.2520209 -0.1177491 0.0267615 2.5832989 27 Ge 2.4578782 -0.1286056 -0.0648078 0.1323680 2.8575859 -0.1329361 -0.2442443 -0.3796718 2.7320604 28 Ge 2.5412675 0.1072064 -0.2140758 -0.1640164 2.9043744 -0.2520209 -0.1177491 -0.0267615 2.5832989 29 Ge 2.5412675 -0.1072064 -0.2140758 0.1640164 2.9043744 0.2520209 -0.1177491 0.0267615 2.5832989 30 Ge 2.4578782 -0.1286056 -0.0648078 0.1323680 2.8575859 -0.1329361 -0.2442443 -0.3796718 2.7320604 31 Ge 2.4578782 0.1286056 -0.0648078 -0.1323680 2.8575859 0.1329361 -0.2442443 0.3796718 2.7320604 32 Ge 2.4578782 0.1286056 -0.0648078 -0.1323680 2.8575859 0.1329361 -0.2442443 0.3796718 2.7320604 33 O -2.0093055 -0.3272712 0.2124141 -0.4055858 -1.7581343 0.1624904 0.2169348 0.1196713 -1.4757457 34 O -1.5135138 -0.1148415 -0.1603152 -0.0637982 -1.6385789 -0.2414263 -0.1908532 -0.3388826 -1.9483663 35 O -1.3152276 0.0891437 0.1098607 0.0803791 -1.7088160 -0.3307958 0.1145297 -0.2496780 -1.9869645 36 O -1.6760715 0.1816554 -0.2676043 0.1261440 -1.5568231 0.3399353 -0.2216755 0.3568846 -1.9785538 37 O -2.1609060 -0.1530784 0.2039921 -0.0836546 -1.4209243 -0.0659377 0.1988271 -0.0854378 -1.5742671 38 O -2.1609060 -0.1530784 0.2039921 -0.0836546 -1.4209243 -0.0659377 0.1988271 -0.0854378 -1.5742671 39 O -1.3152276 0.0891437 0.1098607 0.0803791 -1.7088160 -0.3307958 0.1145297 -0.2496780 -1.9869645 40 O -1.3152276 -0.0891437 0.1098607 -0.0803791 -1.7088160 0.3307958 0.1145297 0.2496780 -1.9869645 41 O -2.0093055 0.3272712 0.2124141 0.4055858 -1.7581343 -0.1624904 0.2169348 -0.1196713 -1.4757457 42 O -2.0093055 0.3272712 0.2124141 0.4055858 -1.7581343 -0.1624904 0.2169348 -0.1196713 -1.4757457 43 O -1.6760715 -0.1816554 -0.2676043 -0.1261440 -1.5568231 -0.3399353 -0.2216755 -0.3568846 -1.9785538 44 O -2.1609060 0.1530784 0.2039921 0.0836546 -1.4209243 0.0659377 0.1988271 0.0854378 -1.5742671 45 O -1.3963140 0.1330172 -0.0884996 0.1697915 -2.4817649 -0.6436540 -0.0336722 -0.6775957 -1.6853777 46 O -1.5135138 -0.1148415 -0.1603152 -0.0637982 -1.6385789 -0.2414263 -0.1908532 -0.3388826 -1.9483663 47 O -1.5135138 0.1148415 -0.1603152 0.0637982 -1.6385789 0.2414263 -0.1908532 0.3388826 -1.9483663 48 O -1.5135138 0.1148415 -0.1603152 0.0637982 -1.6385789 0.2414263 -0.1908532 0.3388826 -1.9483663 49 O -2.1609060 0.1530784 0.2039921 0.0836546 -1.4209243 0.0659377 0.1988271 0.0854378 -1.5742671 50 O -1.7470869 -0.3195837 0.2892295 -0.4264030 -1.8248533 0.2555344 0.2639050 0.2423913 -1.6128114 51 O -1.7470869 0.3195837 0.2892295 0.4264030 -1.8248533 -0.2555344 0.2639050 -0.2423913 -1.6128114 52 O -2.0093055 -0.3272712 0.2124141 -0.4055858 -1.7581343 0.1624904 0.2169348 0.1196713 -1.4757457 53 O -1.3963140 0.1330172 -0.0884996 0.1697915 -2.4817649 -0.6436540 -0.0336722 -0.6775957 -1.6853777 54 O -1.6760715 -0.1816554 -0.2676043 -0.1261440 -1.5568231 -0.3399353 -0.2216755 -0.3568846 -1.9785538 55 O -1.7470869 0.3195837 0.2892295 0.4264030 -1.8248533 -0.2555344 0.2639050 -0.2423913 -1.6128114 56 O -1.3152276 -0.0891437 0.1098607 -0.0803791 -1.7088160 0.3307958 0.1145297 0.2496780 -1.9869645 57 O -1.3963140 -0.1330172 -0.0884996 -0.1697915 -2.4817649 0.6436540 -0.0336722 0.6775957 -1.6853777 58 O -1.3963140 -0.1330172 -0.0884996 -0.1697915 -2.4817649 0.6436540 -0.0336722 0.6775957 -1.6853777 59 O -1.6760715 0.1816554 -0.2676043 0.1261440 -1.5568231 0.3399353 -0.2216755 0.3568846 -1.9785538 60 O -1.7470869 -0.3195837 0.2892295 -0.4264030 -1.8248533 0.2555344 0.2639050 0.2423913 -1.6128114 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 7, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 21, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 27, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 41, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 53, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 67, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 69, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 71, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 89, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 99, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:38:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:38:59]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.267477511263928 0.000000000000000 0.000000000000000 b 0.000000000000000 15.900716860000003 0.000000000000000 c -3.577112242311685 0.000000000000000 9.998067662728896 Atomic positions (fractional): 1 K 0.24784469253137 0.43216457383688 0.41731679148455 39.098 2 K 0.75215530746863 0.93216457383688 0.08268320851545 39.098 3 K 0.26097470388862 0.05771722185902 0.57850487374614 39.098 4 K 0.29987394654542 0.83547057847785 0.08836470585545 39.098 5 K 0.26097470388862 0.44228277814098 0.07850487374614 39.098 6 K 0.24784469253137 0.06783542616312 0.91731679148455 39.098 7 K 0.29987394654542 0.66452942152215 0.58836470585545 39.098 8 K 0.70012605345458 0.33547057847785 0.41163529414455 39.098 9 K 0.73902529611138 0.94228277814098 0.42149512625386 39.098 10 K 0.75215530746863 0.56783542616312 0.58268320851545 39.098 11 K 0.78381749406199 0.34493852094278 0.10939971968550 39.098 12 K 0.73902529611138 0.55771722185902 0.92149512625386 39.098 13 K 0.21618250593801 0.65506147905722 0.89060028031450 39.098 14 K 0.77017006932928 0.36992222764378 0.76485471263368 39.098 15 K 0.77017006932928 0.13007777235622 0.26485471263368 39.098 16 K 0.21618250593801 0.84493852094278 0.39060028031450 39.098 17 K 0.22982993067072 0.63007777235622 0.23514528736631 39.098 18 K 0.70012605345458 0.16452942152215 0.91163529414455 39.098 19 K 0.22982993067072 0.86992222764378 0.73514528736632 39.098 20 K 0.78381749406199 0.15506147905722 0.60939971968550 39.098 21 Li 0.29607186567976 0.27941652845052 0.89527921407875 6.941 22 Li 0.70392813432024 0.77941652845052 0.60472078592125 6.941 23 Li 0.29607186567976 0.22058347154948 0.39527921407875 6.941 24 Li 0.70392813432024 0.72058347154948 0.10472078592125 6.941 25 Ge 0.26596985390156 0.05420716367045 0.25499449682152 72.640 26 Ge 0.73403014609844 0.55420716367044 0.24500550317848 72.640 27 Ge 0.76921176195980 0.76591965629358 0.88810862579020 72.640 28 Ge 0.73403014609844 0.94579283632956 0.74500550317848 72.640 29 Ge 0.26596985390156 0.44579283632956 0.75499449682152 72.640 30 Ge 0.23078823804021 0.23408034370642 0.11189137420980 72.640 31 Ge 0.23078823804021 0.26591965629358 0.61189137420980 72.640 32 Ge 0.76921176195980 0.73408034370642 0.38810862579020 72.640 33 O 0.06479987929300 0.99889078805457 0.30493860595338 15.999 34 O 0.45010859103053 0.11285824702298 0.38856343439245 15.999 35 O 0.73399196779786 0.70229217071041 0.74845876728594 15.999 36 O 0.96553062814991 0.71932990019113 0.03182135422800 15.999 37 O 0.52348097272277 0.71724839268648 0.42975205473126 15.999 38 O 0.47651902727723 0.28275160731352 0.57024794526874 15.999 39 O 0.26600803220214 0.29770782928959 0.25154123271406 15.999 40 O 0.26600803220214 0.20229217071041 0.75154123271406 15.999 41 O 0.06479987929300 0.50110921194543 0.80493860595338 15.999 42 O 0.93520012070700 0.49889078805457 0.19506139404662 15.999 43 O 0.03446937185009 0.21932990019113 0.46817864577200 15.999 44 O 0.47651902727723 0.21724839268648 0.07024794526874 15.999 45 O 0.90009107418889 0.63308053958795 0.36953863447772 15.999 46 O 0.54989140896947 0.88714175297702 0.61143656560755 15.999 47 O 0.54989140896947 0.61285824702298 0.11143656560755 15.999 48 O 0.45010859103053 0.38714175297702 0.88856343439245 15.999 49 O 0.52348097272277 0.78275160731352 0.92975205473126 15.999 50 O 0.41419530167070 0.50768553383812 0.67510956603257 15.999 51 O 0.41419530167070 0.99231446616188 0.17510956603257 15.999 52 O 0.93520012070700 0.00110921194542 0.69506139404662 15.999 53 O 0.09990892581111 0.36691946041205 0.63046136552228 15.999 54 O 0.96553062814991 0.78067009980887 0.53182135422800 15.999 55 O 0.58580469832930 0.00768553383812 0.82489043396743 15.999 56 O 0.73399196779786 0.79770782928959 0.24845876728594 15.999 57 O 0.90009107418889 0.86691946041205 0.86953863447772 15.999 58 O 0.09990892581111 0.13308053958795 0.13046136552228 15.999 59 O 0.03446937185009 0.28067009980887 0.96817864577200 15.999 60 O 0.58580469832930 0.49231446616188 0.32489043396743 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.534955022527855 0.000000000000000 0.000000000000000 b 0.000000000000000 15.900716860000003 0.000000000000000 c -3.577112242311685 0.000000000000000 9.998067662728896 Atomic positions (fractional): 1 K 0.12392234626568 0.43216457383688 0.41731679148455 39.098 > 1 2 K 0.62392234626568 0.43216457383688 0.41731679148455 39.098 > 1 3 K 0.37607765373432 0.93216457383688 0.08268320851545 39.098 > 3 4 K 0.87607765373432 0.93216457383688 0.08268320851545 39.098 > 3 5 K 0.13048735194431 0.05771722185902 0.57850487374614 39.098 > 5 6 K 0.63048735194431 0.05771722185902 0.57850487374614 39.098 > 5 7 K 0.14993697327271 0.83547057847785 0.08836470585545 39.098 > 7 8 K 0.64993697327271 0.83547057847785 0.08836470585545 39.098 > 7 9 K 0.13048735194431 0.44228277814098 0.07850487374614 39.098 > 9 10 K 0.63048735194431 0.44228277814098 0.07850487374614 39.098 > 9 11 K 0.12392234626568 0.06783542616312 0.91731679148455 39.098 > 11 12 K 0.62392234626568 0.06783542616312 0.91731679148455 39.098 > 11 13 K 0.14993697327271 0.66452942152215 0.58836470585545 39.098 > 13 14 K 0.64993697327271 0.66452942152215 0.58836470585545 39.098 > 13 15 K 0.35006302672729 0.33547057847785 0.41163529414455 39.098 > 15 16 K 0.85006302672729 0.33547057847785 0.41163529414455 39.098 > 15 17 K 0.36951264805569 0.94228277814098 0.42149512625386 39.098 > 17 18 K 0.86951264805569 0.94228277814098 0.42149512625386 39.098 > 17 19 K 0.37607765373432 0.56783542616312 0.58268320851545 39.098 > 19 20 K 0.87607765373432 0.56783542616312 0.58268320851545 39.098 > 19 21 K 0.39190874703099 0.34493852094278 0.10939971968550 39.098 > 21 22 K 0.89190874703099 0.34493852094278 0.10939971968550 39.098 > 21 23 K 0.36951264805569 0.55771722185902 0.92149512625386 39.098 > 23 24 K 0.86951264805569 0.55771722185902 0.92149512625386 39.098 > 23 25 K 0.10809125296901 0.65506147905722 0.89060028031450 39.098 > 25 26 K 0.60809125296901 0.65506147905722 0.89060028031450 39.098 > 25 27 K 0.38508503466464 0.36992222764378 0.76485471263368 39.098 > 27 28 K 0.88508503466464 0.36992222764378 0.76485471263368 39.098 > 27 29 K 0.38508503466464 0.13007777235622 0.26485471263368 39.098 > 29 30 K 0.88508503466464 0.13007777235622 0.26485471263368 39.098 > 29 31 K 0.10809125296901 0.84493852094278 0.39060028031450 39.098 > 31 32 K 0.60809125296901 0.84493852094278 0.39060028031450 39.098 > 31 33 K 0.11491496533536 0.63007777235622 0.23514528736631 39.098 > 33 34 K 0.61491496533536 0.63007777235622 0.23514528736631 39.098 > 33 35 K 0.35006302672729 0.16452942152215 0.91163529414455 39.098 > 35 36 K 0.85006302672729 0.16452942152215 0.91163529414455 39.098 > 35 37 K 0.11491496533536 0.86992222764378 0.73514528736632 39.098 > 37 38 K 0.61491496533536 0.86992222764378 0.73514528736632 39.098 > 37 39 K 0.39190874703099 0.15506147905722 0.60939971968550 39.098 > 39 40 K 0.89190874703099 0.15506147905722 0.60939971968550 39.098 > 39 41 Li 0.14803593283988 0.27941652845052 0.89527921407875 6.941 > 41 42 Li 0.64803593283988 0.27941652845052 0.89527921407875 6.941 > 41 43 Li 0.35196406716012 0.77941652845052 0.60472078592125 6.941 > 43 44 Li 0.85196406716012 0.77941652845052 0.60472078592125 6.941 > 43 45 Li 0.14803593283988 0.22058347154948 0.39527921407875 6.941 > 45 46 Li 0.64803593283988 0.22058347154948 0.39527921407875 6.941 > 45 47 Li 0.35196406716012 0.72058347154948 0.10472078592125 6.941 > 47 48 Li 0.85196406716012 0.72058347154948 0.10472078592125 6.941 > 47 49 Ge 0.13298492695078 0.05420716367045 0.25499449682152 72.640 > 49 50 Ge 0.63298492695078 0.05420716367045 0.25499449682152 72.640 > 49 51 Ge 0.36701507304922 0.55420716367044 0.24500550317848 72.640 > 51 52 Ge 0.86701507304922 0.55420716367044 0.24500550317848 72.640 > 51 53 Ge 0.38460588097990 0.76591965629358 0.88810862579020 72.640 > 53 54 Ge 0.88460588097990 0.76591965629358 0.88810862579020 72.640 > 53 55 Ge 0.36701507304922 0.94579283632956 0.74500550317848 72.640 > 55 56 Ge 0.86701507304922 0.94579283632956 0.74500550317848 72.640 > 55 57 Ge 0.13298492695078 0.44579283632956 0.75499449682152 72.640 > 57 58 Ge 0.63298492695078 0.44579283632956 0.75499449682152 72.640 > 57 59 Ge 0.11539411902010 0.23408034370642 0.11189137420980 72.640 > 59 60 Ge 0.61539411902010 0.23408034370642 0.11189137420980 72.640 > 59 61 Ge 0.11539411902010 0.26591965629358 0.61189137420980 72.640 > 61 62 Ge 0.61539411902010 0.26591965629358 0.61189137420980 72.640 > 61 63 Ge 0.38460588097990 0.73408034370642 0.38810862579020 72.640 > 63 64 Ge 0.88460588097990 0.73408034370642 0.38810862579020 72.640 > 63 65 O 0.03239993964650 0.99889078805457 0.30493860595338 15.999 > 65 66 O 0.53239993964650 0.99889078805457 0.30493860595338 15.999 > 65 67 O 0.22505429551527 0.11285824702298 0.38856343439245 15.999 > 67 68 O 0.72505429551527 0.11285824702298 0.38856343439245 15.999 > 67 69 O 0.36699598389893 0.70229217071041 0.74845876728594 15.999 > 69 70 O 0.86699598389893 0.70229217071041 0.74845876728594 15.999 > 69 71 O 0.48276531407496 0.71932990019113 0.03182135422800 15.999 > 71 72 O 0.98276531407496 0.71932990019113 0.03182135422800 15.999 > 71 73 O 0.26174048636138 0.71724839268648 0.42975205473126 15.999 > 73 74 O 0.76174048636138 0.71724839268648 0.42975205473126 15.999 > 73 75 O 0.23825951363862 0.28275160731352 0.57024794526874 15.999 > 75 76 O 0.73825951363862 0.28275160731352 0.57024794526874 15.999 > 75 77 O 0.13300401610107 0.29770782928959 0.25154123271406 15.999 > 77 78 O 0.63300401610107 0.29770782928959 0.25154123271406 15.999 > 77 79 O 0.13300401610107 0.20229217071041 0.75154123271406 15.999 > 79 80 O 0.63300401610107 0.20229217071041 0.75154123271406 15.999 > 79 81 O 0.03239993964650 0.50110921194543 0.80493860595338 15.999 > 81 82 O 0.53239993964650 0.50110921194543 0.80493860595338 15.999 > 81 83 O 0.46760006035350 0.49889078805457 0.19506139404662 15.999 > 83 84 O 0.96760006035350 0.49889078805457 0.19506139404662 15.999 > 83 85 O 0.01723468592504 0.21932990019113 0.46817864577200 15.999 > 85 86 O 0.51723468592504 0.21932990019113 0.46817864577200 15.999 > 85 87 O 0.23825951363862 0.21724839268648 0.07024794526874 15.999 > 87 88 O 0.73825951363862 0.21724839268648 0.07024794526874 15.999 > 87 89 O 0.45004553709445 0.63308053958795 0.36953863447772 15.999 > 89 90 O 0.95004553709444 0.63308053958795 0.36953863447772 15.999 > 89 91 O 0.27494570448473 0.88714175297702 0.61143656560755 15.999 > 91 92 O 0.77494570448473 0.88714175297702 0.61143656560755 15.999 > 91 93 O 0.27494570448473 0.61285824702298 0.11143656560755 15.999 > 93 94 O 0.77494570448473 0.61285824702298 0.11143656560755 15.999 > 93 95 O 0.22505429551527 0.38714175297702 0.88856343439245 15.999 > 95 96 O 0.72505429551527 0.38714175297702 0.88856343439245 15.999 > 95 97 O 0.26174048636138 0.78275160731352 0.92975205473126 15.999 > 97 98 O 0.76174048636138 0.78275160731352 0.92975205473126 15.999 > 97 99 O 0.20709765083535 0.50768553383812 0.67510956603257 15.999 > 99 100 O 0.70709765083535 0.50768553383812 0.67510956603257 15.999 > 99 101 O 0.20709765083535 0.99231446616188 0.17510956603257 15.999 > 101 102 O 0.70709765083535 0.99231446616188 0.17510956603257 15.999 > 101 103 O 0.46760006035350 0.00110921194542 0.69506139404662 15.999 > 103 104 O 0.96760006035350 0.00110921194542 0.69506139404662 15.999 > 103 105 O 0.04995446290555 0.36691946041205 0.63046136552228 15.999 > 105 106 O 0.54995446290556 0.36691946041205 0.63046136552228 15.999 > 105 107 O 0.48276531407496 0.78067009980887 0.53182135422800 15.999 > 107 108 O 0.98276531407496 0.78067009980887 0.53182135422800 15.999 > 107 109 O 0.29290234916465 0.00768553383812 0.82489043396743 15.999 > 109 110 O 0.79290234916465 0.00768553383812 0.82489043396743 15.999 > 109 111 O 0.36699598389893 0.79770782928959 0.24845876728594 15.999 > 111 112 O 0.86699598389893 0.79770782928959 0.24845876728594 15.999 > 111 113 O 0.45004553709445 0.86691946041205 0.86953863447772 15.999 > 113 114 O 0.95004553709444 0.86691946041205 0.86953863447772 15.999 > 113 115 O 0.04995446290555 0.13308053958795 0.13046136552228 15.999 > 115 116 O 0.54995446290556 0.13308053958795 0.13046136552228 15.999 > 115 117 O 0.01723468592504 0.28067009980887 0.96817864577200 15.999 > 117 118 O 0.51723468592504 0.28067009980887 0.96817864577200 15.999 > 117 119 O 0.29290234916465 0.49231446616188 0.32489043396743 15.999 > 119 120 O 0.79290234916465 0.49231446616188 0.32489043396743 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7631768 0.0000000 -0.0269233 0.0000000 2.8093328 0.0000000 -0.0268855 0.0000000 2.7797647 -------------------------- Born effective charges -------------------------- 1 K 1.0812971 -0.0181907 -0.0647451 -0.0106190 1.1978536 -0.1172372 -0.0919367 -0.0639109 1.3456690 2 K 1.0812971 0.0181907 -0.0647451 0.0106190 1.1978536 0.1172372 -0.0919367 0.0639109 1.3456690 3 K 1.1029388 -0.0679641 -0.0939535 -0.0441965 1.1861683 -0.1132930 -0.0926256 -0.0630852 1.2096642 4 K 1.2606948 -0.0696194 0.0887228 -0.0419205 1.1696305 0.0779007 0.1632221 0.1203699 1.1748186 5 K 1.1029388 0.0679641 -0.0939535 0.0441965 1.1861683 0.1132930 -0.0926256 0.0630852 1.2096642 6 K 1.0812971 0.0181907 -0.0647451 0.0106190 1.1978536 0.1172372 -0.0919367 0.0639109 1.3456690 7 K 1.2606948 0.0696194 0.0887228 0.0419205 1.1696305 -0.0779007 0.1632221 -0.1203699 1.1748186 8 K 1.2606948 0.0696194 0.0887228 0.0419205 1.1696305 -0.0779007 0.1632221 -0.1203699 1.1748186 9 K 1.1029388 -0.0679641 -0.0939535 -0.0441965 1.1861683 -0.1132930 -0.0926256 -0.0630852 1.2096642 10 K 1.0812971 -0.0181907 -0.0647451 -0.0106190 1.1978536 -0.1172372 -0.0919367 -0.0639109 1.3456690 11 K 1.2371993 -0.0282156 0.1163962 -0.0567592 1.1983108 0.0515622 0.1293731 0.0190444 1.0953013 12 K 1.1029388 0.0679641 -0.0939535 0.0441965 1.1861683 0.1132930 -0.0926256 0.0630852 1.2096642 13 K 1.2371993 -0.0282156 0.1163962 -0.0567592 1.1983108 0.0515622 0.1293731 0.0190444 1.0953013 14 K 1.3976346 0.0457998 0.1106989 -0.0251531 1.0115246 -0.0081890 0.1015751 -0.0321086 1.0489677 15 K 1.3976346 -0.0457998 0.1106989 0.0251531 1.0115246 0.0081890 0.1015751 0.0321086 1.0489677 16 K 1.2371993 0.0282156 0.1163962 0.0567592 1.1983108 -0.0515622 0.1293731 -0.0190444 1.0953013 17 K 1.3976346 0.0457998 0.1106989 -0.0251531 1.0115246 -0.0081890 0.1015751 -0.0321086 1.0489677 18 K 1.2606948 -0.0696194 0.0887228 -0.0419205 1.1696305 0.0779007 0.1632221 0.1203699 1.1748186 19 K 1.3976346 -0.0457998 0.1106989 0.0251531 1.0115246 0.0081890 0.1015751 0.0321086 1.0489677 20 K 1.2371993 0.0282156 0.1163962 0.0567592 1.1983108 -0.0515622 0.1293731 -0.0190444 1.0953013 21 Li 0.7395149 0.0463061 -0.1773130 0.0990250 0.8644467 -0.1079380 -0.1956103 -0.0690335 1.0723065 22 Li 0.7395149 -0.0463061 -0.1773130 -0.0990250 0.8644467 0.1079380 -0.1956103 0.0690335 1.0723065 23 Li 0.7395149 -0.0463061 -0.1773130 -0.0990250 0.8644467 0.1079380 -0.1956103 0.0690335 1.0723065 24 Li 0.7395149 0.0463061 -0.1773130 0.0990250 0.8644467 -0.1079380 -0.1956103 -0.0690335 1.0723065 25 Ge 2.5412675 0.1072064 -0.2140758 -0.1640164 2.9043744 -0.2520209 -0.1177491 -0.0267615 2.5832989 26 Ge 2.5412675 -0.1072064 -0.2140758 0.1640164 2.9043744 0.2520209 -0.1177491 0.0267615 2.5832989 27 Ge 2.4578782 -0.1286056 -0.0648078 0.1323680 2.8575859 -0.1329361 -0.2442443 -0.3796718 2.7320604 28 Ge 2.5412675 0.1072064 -0.2140758 -0.1640164 2.9043744 -0.2520209 -0.1177491 -0.0267615 2.5832989 29 Ge 2.5412675 -0.1072064 -0.2140758 0.1640164 2.9043744 0.2520209 -0.1177491 0.0267615 2.5832989 30 Ge 2.4578782 -0.1286056 -0.0648078 0.1323680 2.8575859 -0.1329361 -0.2442443 -0.3796718 2.7320604 31 Ge 2.4578782 0.1286056 -0.0648078 -0.1323680 2.8575859 0.1329361 -0.2442443 0.3796718 2.7320604 32 Ge 2.4578782 0.1286056 -0.0648078 -0.1323680 2.8575859 0.1329361 -0.2442443 0.3796718 2.7320604 33 O -2.0093055 -0.3272712 0.2124141 -0.4055858 -1.7581343 0.1624904 0.2169348 0.1196713 -1.4757457 34 O -1.5135138 -0.1148415 -0.1603152 -0.0637982 -1.6385789 -0.2414263 -0.1908532 -0.3388826 -1.9483663 35 O -1.3152276 0.0891437 0.1098607 0.0803791 -1.7088160 -0.3307958 0.1145297 -0.2496780 -1.9869645 36 O -1.6760715 0.1816554 -0.2676043 0.1261440 -1.5568231 0.3399353 -0.2216755 0.3568846 -1.9785538 37 O -2.1609060 -0.1530784 0.2039921 -0.0836546 -1.4209243 -0.0659377 0.1988271 -0.0854378 -1.5742671 38 O -2.1609060 -0.1530784 0.2039921 -0.0836546 -1.4209243 -0.0659377 0.1988271 -0.0854378 -1.5742671 39 O -1.3152276 0.0891437 0.1098607 0.0803791 -1.7088160 -0.3307958 0.1145297 -0.2496780 -1.9869645 40 O -1.3152276 -0.0891437 0.1098607 -0.0803791 -1.7088160 0.3307958 0.1145297 0.2496780 -1.9869645 41 O -2.0093055 0.3272712 0.2124141 0.4055858 -1.7581343 -0.1624904 0.2169348 -0.1196713 -1.4757457 42 O -2.0093055 0.3272712 0.2124141 0.4055858 -1.7581343 -0.1624904 0.2169348 -0.1196713 -1.4757457 43 O -1.6760715 -0.1816554 -0.2676043 -0.1261440 -1.5568231 -0.3399353 -0.2216755 -0.3568846 -1.9785538 44 O -2.1609060 0.1530784 0.2039921 0.0836546 -1.4209243 0.0659377 0.1988271 0.0854378 -1.5742671 45 O -1.3963140 0.1330172 -0.0884996 0.1697915 -2.4817649 -0.6436540 -0.0336722 -0.6775957 -1.6853777 46 O -1.5135138 -0.1148415 -0.1603152 -0.0637982 -1.6385789 -0.2414263 -0.1908532 -0.3388826 -1.9483663 47 O -1.5135138 0.1148415 -0.1603152 0.0637982 -1.6385789 0.2414263 -0.1908532 0.3388826 -1.9483663 48 O -1.5135138 0.1148415 -0.1603152 0.0637982 -1.6385789 0.2414263 -0.1908532 0.3388826 -1.9483663 49 O -2.1609060 0.1530784 0.2039921 0.0836546 -1.4209243 0.0659377 0.1988271 0.0854378 -1.5742671 50 O -1.7470869 -0.3195837 0.2892295 -0.4264030 -1.8248533 0.2555344 0.2639050 0.2423913 -1.6128114 51 O -1.7470869 0.3195837 0.2892295 0.4264030 -1.8248533 -0.2555344 0.2639050 -0.2423913 -1.6128114 52 O -2.0093055 -0.3272712 0.2124141 -0.4055858 -1.7581343 0.1624904 0.2169348 0.1196713 -1.4757457 53 O -1.3963140 0.1330172 -0.0884996 0.1697915 -2.4817649 -0.6436540 -0.0336722 -0.6775957 -1.6853777 54 O -1.6760715 -0.1816554 -0.2676043 -0.1261440 -1.5568231 -0.3399353 -0.2216755 -0.3568846 -1.9785538 55 O -1.7470869 0.3195837 0.2892295 0.4264030 -1.8248533 -0.2555344 0.2639050 -0.2423913 -1.6128114 56 O -1.3152276 -0.0891437 0.1098607 -0.0803791 -1.7088160 0.3307958 0.1145297 0.2496780 -1.9869645 57 O -1.3963140 -0.1330172 -0.0884996 -0.1697915 -2.4817649 0.6436540 -0.0336722 0.6775957 -1.6853777 58 O -1.3963140 -0.1330172 -0.0884996 -0.1697915 -2.4817649 0.6436540 -0.0336722 0.6775957 -1.6853777 59 O -1.6760715 0.1816554 -0.2676043 0.1261440 -1.5568231 0.3399353 -0.2216755 0.3568846 -1.9785538 60 O -1.7470869 -0.3195837 0.2892295 -0.4264030 -1.8248533 0.2555344 0.2639050 0.2423913 -1.6128114 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (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 ... [ 8 3 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 311, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.543 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.878 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.768 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.298 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.420 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.623 ( 0.000 0.000 0.000) 0.000 9.686 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.710 ( 0.000 0.000 0.000) 0.000 9.788 ( 0.000 0.000 0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 10.058 ( 0.000 0.000 0.000) 0.000 10.142 ( 0.000 0.000 0.000) 0.000 10.184 ( 0.000 0.000 0.000) 0.000 10.479 ( 0.000 0.000 0.000) 0.000 10.697 ( 0.000 0.000 0.000) 0.000 10.963 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.167 ( 0.000 0.000 0.000) 0.000 11.174 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 12.342 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 13.856 ( 0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 14.006 ( 0.000 0.000 0.000) 0.000 14.233 ( 0.000 0.000 0.000) 0.000 14.564 ( 0.000 0.000 0.000) 0.000 14.604 ( 0.000 0.000 0.000) 0.000 14.697 ( 0.000 0.000 0.000) 0.000 14.723 ( 0.000 0.000 0.000) 0.000 15.681 ( 0.000 0.000 0.000) 0.000 15.704 ( 0.000 0.000 0.000) 0.000 16.081 ( 0.000 0.000 0.000) 0.000 16.135 ( 0.000 0.000 0.000) 0.000 18.695 ( 0.000 0.000 0.000) 0.000 18.704 ( 0.000 0.000 0.000) 0.000 18.996 ( 0.000 0.000 0.000) 0.000 19.511 ( 0.000 0.000 0.000) 0.000 20.414 ( 0.000 0.000 0.000) 0.000 20.439 ( 0.000 0.000 0.000) 0.000 20.588 ( 0.000 0.000 0.000) 0.000 20.636 ( 0.000 0.000 0.000) 0.000 20.662 ( 0.000 0.000 0.000) 0.000 20.707 ( 0.000 0.000 0.000) 0.000 20.732 ( 0.000 0.000 0.000) 0.000 20.742 ( 0.000 0.000 0.000) 0.000 21.034 ( 0.000 0.000 0.000) 0.000 21.042 ( 0.000 0.000 0.000) 0.000 21.134 ( 0.000 0.000 0.000) 0.000 21.355 ( 0.000 0.000 0.000) 0.000 21.375 ( 0.000 0.000 0.000) 0.000 21.462 ( 0.000 0.000 0.000) 0.000 21.478 ( 0.000 0.000 0.000) 0.000 21.482 ( 0.000 0.000 0.000) 0.000 21.485 ( 0.000 0.000 0.000) 0.000 21.611 ( 0.000 0.000 0.000) 0.000 21.695 ( 0.000 0.000 0.000) 0.000 21.782 ( 0.000 0.000 0.000) 0.000 21.802 ( 0.000 0.000 0.000) 0.000 21.824 ( 0.000 0.000 0.000) 0.000 22.410 ( 0.000 0.000 0.000) 0.000 22.701 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 24.337 0.000 -0.657) 24.346 0.510 ( 21.794 0.000 10.108) 24.024 1.090 ( 38.782 0.000 18.219) 42.848 1.257 ( 16.320 0.000 0.246) 16.322 1.298 ( 6.769 0.000 -3.611) 7.672 1.556 ( 4.308 0.000 3.336) 5.449 1.603 ( 6.042 0.000 -1.882) 6.328 1.660 ( 11.068 0.000 5.733) 12.465 1.807 ( 10.501 0.000 1.721) 10.641 1.971 ( 2.656 0.000 1.263) 2.941 2.009 ( 0.265 0.000 -12.913) 12.916 2.176 ( -0.338 0.000 -16.183) 16.187 2.435 ( 9.417 0.000 -2.535) 9.752 2.504 ( -1.195 0.000 -1.521) 1.934 2.567 ( 2.593 0.000 -1.239) 2.873 2.585 ( -4.498 0.000 -2.095) 4.962 2.602 ( 6.737 0.000 -0.146) 6.739 2.685 ( -2.750 0.000 3.792) 4.684 2.785 ( 2.616 0.000 -3.000) 3.980 2.801 ( -0.597 0.000 0.923) 1.100 2.832 ( -0.960 0.000 1.877) 2.108 2.883 ( 0.433 0.000 1.820) 1.871 2.920 ( -1.124 0.000 1.472) 1.852 2.932 ( 3.550 0.000 6.203) 7.147 2.954 ( -0.473 0.000 6.000) 6.018 2.994 ( -2.390 0.000 0.250) 2.403 3.064 ( 1.219 0.000 1.114) 1.652 3.151 ( -5.677 0.000 -5.443) 7.865 3.173 ( 0.359 0.000 1.433) 1.477 3.217 ( -5.512 0.000 2.743) 6.156 3.235 ( 3.161 0.000 2.398) 3.968 3.299 ( 2.572 0.000 -0.428) 2.607 3.314 ( -4.436 0.000 -0.080) 4.436 3.349 ( 0.696 0.000 2.167) 2.276 3.365 ( -0.906 0.000 -0.574) 1.072 3.431 ( 0.470 0.000 -1.681) 1.746 3.433 ( -5.763 0.000 -7.276) 9.282 3.445 ( 2.957 0.000 0.155) 2.961 3.483 ( -2.223 0.000 1.373) 2.613 3.548 ( -0.833 0.000 -3.465) 3.564 3.563 ( -0.671 0.000 -1.581) 1.718 3.596 ( -0.497 0.000 3.401) 3.437 3.624 ( 6.858 0.000 -1.712) 7.069 3.641 ( 4.384 0.000 0.537) 4.417 3.695 ( 2.210 0.000 5.195) 5.645 3.762 ( -0.900 0.000 3.591) 3.702 3.858 ( 4.314 0.000 -2.166) 4.827 3.893 ( -0.193 0.000 -9.451) 9.453 3.927 ( -2.466 0.000 -3.499) 4.280 3.981 ( -2.347 0.000 -4.315) 4.912 4.008 ( -7.344 0.000 2.225) 7.673 4.090 ( -4.776 0.000 0.642) 4.819 4.109 ( -5.443 0.000 4.483) 7.051 4.123 ( 0.423 0.000 3.480) 3.505 4.229 ( 4.452 0.000 -8.046) 9.195 4.285 ( -3.542 0.000 -1.069) 3.700 4.337 ( -3.789 0.000 0.190) 3.794 4.377 ( 2.778 0.000 1.398) 3.110 4.393 ( 3.717 0.000 -1.746) 4.106 4.423 ( -1.914 0.000 -3.272) 3.790 4.425 ( -1.898 0.000 -2.478) 3.121 4.541 ( -3.819 0.000 4.570) 5.956 4.552 ( 1.574 0.000 5.013) 5.254 4.636 ( -2.803 0.000 -1.195) 3.047 4.695 ( -1.916 0.000 -2.515) 3.162 4.699 ( -5.193 0.000 -3.061) 6.028 4.787 ( 5.244 0.000 1.518) 5.460 4.806 ( -0.866 0.000 -0.748) 1.144 4.854 ( -3.744 0.000 3.036) 4.820 4.906 ( -3.169 0.000 0.800) 3.268 4.910 ( 6.088 0.000 -1.738) 6.331 5.024 ( -1.456 0.000 0.286) 1.484 5.025 ( 1.915 0.000 1.436) 2.393 5.063 ( -1.626 0.000 3.388) 3.758 5.088 ( 3.394 0.000 1.247) 3.615 5.142 ( 3.208 0.000 0.312) 3.223 5.176 ( -3.262 0.000 1.871) 3.761 5.179 ( 0.806 0.000 2.043) 2.196 5.277 ( 5.242 0.000 0.771) 5.299 5.287 ( 0.413 0.000 4.149) 4.170 5.399 ( 0.455 0.000 -1.151) 1.238 5.420 ( -4.444 0.000 -5.185) 6.829 5.456 ( -0.662 0.000 0.647) 0.925 5.526 ( -2.299 0.000 0.118) 2.302 5.748 ( 0.204 0.000 3.788) 3.793 5.755 ( -1.705 0.000 -2.845) 3.317 5.882 ( 1.127 0.000 0.831) 1.400 5.914 ( -7.267 0.000 1.121) 7.353 5.969 ( -2.546 0.000 0.107) 2.548 5.981 ( -2.239 0.000 -1.222) 2.550 6.064 ( -0.520 0.000 1.324) 1.422 6.147 ( 1.783 0.000 0.490) 1.849 6.283 ( -1.728 0.000 1.203) 2.105 6.325 ( -0.173 0.000 0.949) 0.965 6.351 ( -0.726 0.000 2.266) 2.380 6.494 ( 0.250 0.000 -16.878) 16.880 6.918 ( -4.254 0.000 0.913) 4.351 6.975 ( -0.578 0.000 0.426) 0.718 7.121 ( -2.011 0.000 3.197) 3.777 7.197 ( 2.533 0.000 -3.250) 4.120 7.398 ( 0.844 0.000 2.470) 2.610 7.426 ( -0.282 0.000 0.677) 0.734 7.650 ( -2.377 0.000 0.633) 2.460 7.722 ( -3.459 0.000 -0.601) 3.511 7.847 ( -3.231 0.000 -0.149) 3.234 7.869 ( -1.636 0.000 -1.593) 2.283 7.914 ( 1.956 0.000 3.049) 3.623 7.979 ( 0.448 0.000 -0.459) 0.641 8.507 ( 1.478 0.000 0.003) 1.478 8.791 ( 1.643 0.000 0.991) 1.919 8.867 ( 1.158 0.000 -11.830) 11.886 9.107 ( -2.047 0.000 0.324) 2.073 9.167 ( -1.829 0.000 -2.459) 3.065 9.334 ( 0.891 0.000 -3.365) 3.481 9.377 ( -3.439 0.000 3.039) 4.589 9.453 ( -1.055 0.000 3.060) 3.237 9.476 ( -8.884 0.000 30.690) 31.950 9.580 ( 0.949 0.000 -2.122) 2.325 9.592 ( -2.135 0.000 -1.472) 2.593 9.626 ( -3.857 0.000 0.055) 3.857 9.657 ( -2.449 0.000 -1.502) 2.873 9.701 ( -1.197 0.000 0.880) 1.486 9.833 ( 2.416 0.000 1.207) 2.700 9.979 ( 0.469 0.000 1.222) 1.309 10.065 ( 1.072 0.000 -1.771) 2.070 10.140 ( 0.303 0.000 -1.370) 1.403 10.182 ( 0.019 0.000 -0.390) 0.391 10.431 ( -5.887 0.000 3.010) 6.612 10.724 ( 0.834 0.000 5.445) 5.509 11.002 ( 3.118 0.000 2.985) 4.316 11.060 ( 3.073 0.000 -6.393) 7.093 11.167 ( 4.352 0.000 3.950) 5.877 11.190 ( 4.917 0.000 -8.329) 9.672 11.219 ( 3.784 0.000 2.020) 4.290 11.415 ( -3.075 0.000 -3.074) 4.347 11.714 ( 4.495 0.000 3.702) 5.823 11.762 ( -1.081 0.000 -1.030) 1.493 11.926 ( 4.169 0.000 -12.949) 13.603 12.326 ( -1.381 0.000 0.044) 1.382 12.363 ( -0.182 0.000 0.334) 0.381 13.854 ( -0.390 0.000 0.594) 0.710 13.981 ( 0.525 0.000 -0.012) 0.525 14.016 ( 0.101 0.000 1.320) 1.324 14.166 ( -5.098 0.000 -1.594) 5.341 14.601 ( 2.610 0.000 0.520) 2.661 14.705 ( 1.057 0.000 -0.393) 1.128 14.765 ( 4.076 0.000 -0.975) 4.191 15.109 ( -0.483 0.000 -0.550) 0.731 15.682 ( 0.138 0.000 -0.034) 0.142 15.710 ( -2.679 0.000 7.021) 7.514 16.073 ( -0.507 0.000 -0.658) 0.831 16.116 ( -2.014 0.000 0.850) 2.185 18.687 ( -0.967 0.000 0.682) 1.183 18.690 ( -1.542 0.000 0.540) 1.633 18.972 ( -9.800 0.000 9.285) 13.500 19.355 ( -13.356 0.000 -0.720) 13.376 20.445 ( 1.556 0.000 1.961) 2.504 20.535 ( -1.564 0.000 3.021) 3.402 20.566 ( -1.537 0.000 -0.099) 1.540 20.614 ( -3.237 0.000 -0.209) 3.244 20.695 ( 2.453 0.000 -3.064) 3.925 20.726 ( 5.862 0.000 3.573) 6.865 20.893 ( 8.238 0.000 -5.399) 9.850 21.035 ( 2.384 0.000 -1.985) 3.102 21.071 ( 0.862 0.000 2.146) 2.312 21.126 ( -1.368 0.000 1.823) 2.279 21.192 ( 2.993 0.000 -5.823) 6.547 21.376 ( -1.288 0.000 3.992) 4.195 21.415 ( 2.400 0.000 -4.531) 5.128 21.451 ( -0.223 0.000 -0.707) 0.742 21.489 ( 0.989 0.000 -0.175) 1.004 21.497 ( 1.175 0.000 -0.092) 1.178 21.552 ( 3.850 0.000 -9.981) 10.698 21.718 ( 1.285 0.000 2.471) 2.785 21.762 ( 1.644 0.000 -5.225) 5.478 21.800 ( 1.162 0.000 2.319) 2.594 21.861 ( 1.921 0.000 3.046) 3.601 22.345 ( -1.128 0.000 -3.733) 3.900 22.393 ( -1.550 0.000 -0.058) 1.551 22.676 ( -2.822 0.000 0.878) 2.955 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 22.294 0.000 -1.718) 22.360 1.004 ( 20.643 0.000 8.737) 22.416 1.348 ( 6.795 0.000 -1.224) 6.904 1.429 ( 9.444 0.000 -5.849) 11.108 1.722 ( 5.265 0.000 0.594) 5.298 1.729 ( 8.033 0.000 1.020) 8.098 1.939 ( 4.021 0.000 -13.130) 13.732 1.988 ( 15.217 0.000 7.276) 16.867 2.044 ( 7.647 0.000 3.554) 8.433 2.049 ( 9.010 0.000 -0.082) 9.011 2.129 ( 33.040 0.000 13.622) 35.738 2.139 ( 10.733 0.000 -13.294) 17.086 2.367 ( -9.295 0.000 0.420) 9.304 2.518 ( -0.644 0.000 -0.594) 0.877 2.570 ( -5.933 0.000 -1.299) 6.074 2.594 ( 1.381 0.000 1.238) 1.855 2.667 ( 5.728 0.000 -0.605) 5.760 2.730 ( 3.021 0.000 -5.849) 6.583 2.755 ( 0.609 0.000 1.014) 1.183 2.785 ( -3.951 0.000 3.625) 5.362 2.824 ( 1.167 0.000 -1.710) 2.070 2.875 ( -5.317 0.000 -3.001) 6.105 2.890 ( 2.691 0.000 -1.740) 3.205 2.896 ( -1.427 0.000 -2.079) 2.522 2.968 ( -0.053 0.000 -0.433) 0.436 2.997 ( -0.444 0.000 -0.234) 0.502 3.090 ( -2.370 0.000 1.393) 2.750 3.135 ( -3.783 0.000 5.664) 6.812 3.175 ( -7.137 0.000 0.070) 7.138 3.187 ( 2.654 0.000 4.813) 5.496 3.206 ( 0.892 0.000 1.358) 1.625 3.287 ( 0.801 0.000 -2.307) 2.442 3.306 ( 0.807 0.000 -2.347) 2.482 3.357 ( -2.593 0.000 2.311) 3.473 3.404 ( -1.812 0.000 -1.197) 2.171 3.416 ( 7.079 0.000 3.659) 7.969 3.427 ( -0.070 0.000 2.345) 2.346 3.471 ( -0.974 0.000 4.192) 4.304 3.484 ( -0.053 0.000 -1.562) 1.563 3.535 ( 5.773 0.000 4.509) 7.325 3.596 ( 3.390 0.000 1.394) 3.666 3.608 ( -0.319 0.000 2.370) 2.391 3.651 ( -4.831 0.000 0.220) 4.836 3.651 ( -3.558 0.000 -6.893) 7.757 3.735 ( 1.031 0.000 -2.093) 2.333 3.775 ( -5.392 0.000 2.302) 5.863 3.787 ( 1.402 0.000 5.158) 5.345 3.849 ( 0.364 0.000 2.819) 2.842 3.913 ( -1.640 0.000 -1.995) 2.582 3.944 ( -1.578 0.000 1.287) 2.037 3.977 ( 1.957 0.000 -0.285) 1.977 3.994 ( -0.424 0.000 2.674) 2.707 4.092 ( 5.513 0.000 -5.464) 7.762 4.175 ( 1.163 0.000 5.665) 5.784 4.208 ( 0.687 0.000 -10.791) 10.813 4.208 ( -2.229 0.000 -6.218) 6.605 4.288 ( 2.463 0.000 -0.579) 2.530 4.384 ( 1.462 0.000 -4.100) 4.353 4.409 ( 3.805 0.000 -4.638) 5.998 4.420 ( -1.324 0.000 1.038) 1.682 4.487 ( 2.372 0.000 -0.136) 2.376 4.518 ( -2.234 0.000 4.376) 4.913 4.586 ( -2.206 0.000 -1.657) 2.759 4.596 ( -0.346 0.000 -0.039) 0.348 4.597 ( -1.405 0.000 -1.416) 1.995 4.657 ( 0.965 0.000 0.163) 0.979 4.712 ( -5.674 0.000 -1.524) 5.875 4.814 ( -1.764 0.000 -0.811) 1.942 4.829 ( -4.111 0.000 8.226) 9.196 4.879 ( 0.176 0.000 -0.458) 0.491 4.929 ( -3.858 0.000 0.549) 3.897 4.984 ( -7.339 0.000 -1.899) 7.580 5.018 ( -2.088 0.000 3.560) 4.127 5.060 ( -0.472 0.000 -0.950) 1.060 5.077 ( -1.361 0.000 -0.128) 1.367 5.144 ( 1.645 0.000 2.395) 2.905 5.220 ( -0.642 0.000 -0.230) 0.682 5.229 ( 2.217 0.000 2.291) 3.188 5.300 ( 0.085 0.000 1.009) 1.013 5.338 ( -2.559 0.000 0.627) 2.635 5.384 ( 3.125 0.000 -2.651) 4.098 5.420 ( 3.397 0.000 -1.602) 3.756 5.450 ( -0.894 0.000 2.115) 2.296 5.485 ( -0.177 0.000 0.774) 0.794 5.712 ( -1.435 0.000 -0.905) 1.696 5.744 ( -4.344 0.000 0.631) 4.390 5.763 ( -4.335 0.000 -2.837) 5.181 5.870 ( -1.261 0.000 -1.991) 2.357 5.919 ( -2.705 0.000 -1.518) 3.102 5.921 ( -3.338 0.000 1.162) 3.534 6.046 ( -1.848 0.000 1.088) 2.144 6.153 ( -2.515 0.000 -2.602) 3.618 6.253 ( -2.088 0.000 0.919) 2.281 6.312 ( -4.936 0.000 -2.193) 5.401 6.341 ( 0.616 0.000 3.298) 3.355 6.364 ( -2.132 0.000 -4.677) 5.140 6.825 ( -4.362 0.000 -0.924) 4.459 6.966 ( -0.610 0.000 0.481) 0.777 7.112 ( -1.163 0.000 2.740) 2.976 7.216 ( 1.498 0.000 -2.482) 2.899 7.430 ( 0.067 0.000 1.565) 1.567 7.441 ( 0.645 0.000 4.141) 4.191 7.586 ( -4.248 0.000 0.924) 4.347 7.627 ( -5.029 0.000 -1.024) 5.132 7.774 ( -3.480 0.000 -0.361) 3.499 7.817 ( -1.799 0.000 -2.645) 3.199 7.973 ( 0.993 0.000 3.070) 3.227 8.005 ( 3.518 0.000 -2.052) 4.073 8.543 ( 2.238 0.000 -0.385) 2.271 8.793 ( -2.409 0.000 -4.447) 5.058 8.834 ( 1.700 0.000 0.748) 1.857 9.058 ( -2.533 0.000 -0.244) 2.545 9.119 ( -0.512 0.000 -3.606) 3.642 9.314 ( -3.481 0.000 -0.325) 3.496 9.326 ( 1.064 0.000 -3.903) 4.046 9.460 ( -0.614 0.000 3.024) 3.086 9.519 ( -4.635 0.000 18.305) 18.883 9.533 ( -2.294 0.000 -0.868) 2.453 9.578 ( 0.485 0.000 -2.087) 2.142 9.585 ( 0.163 0.000 -0.157) 0.227 9.610 ( 0.016 0.000 -3.792) 3.792 9.686 ( -1.834 0.000 4.044) 4.440 9.879 ( 1.607 0.000 0.519) 1.689 9.937 ( -5.045 0.000 -1.327) 5.217 10.056 ( -0.435 0.000 -3.458) 3.486 10.136 ( 0.541 0.000 -2.310) 2.373 10.195 ( 1.284 0.000 1.291) 1.820 10.361 ( -2.542 0.000 2.653) 3.674 10.806 ( 1.605 0.000 10.022) 10.150 11.062 ( 1.729 0.000 -4.437) 4.762 11.114 ( 5.380 0.000 0.947) 5.462 11.237 ( 5.277 0.000 -8.494) 10.000 11.295 ( 5.401 0.000 1.946) 5.740 11.325 ( 4.730 0.000 1.898) 5.097 11.378 ( 1.261 0.000 -2.670) 2.953 11.673 ( -5.300 0.000 1.360) 5.472 11.838 ( 3.148 0.000 2.377) 3.945 11.923 ( 2.581 0.000 -5.795) 6.344 12.293 ( -1.912 0.000 0.139) 1.917 12.354 ( -0.884 0.000 0.143) 0.896 13.850 ( -0.485 0.000 0.830) 0.962 13.994 ( 0.778 0.000 -0.070) 0.781 14.028 ( -0.321 0.000 2.207) 2.230 14.043 ( -5.349 0.000 -1.835) 5.655 14.648 ( 2.032 0.000 -0.794) 2.182 14.736 ( 1.814 0.000 0.606) 1.912 14.844 ( 4.220 0.000 -1.628) 4.523 15.090 ( -1.047 0.000 -0.169) 1.061 15.685 ( 0.203 0.000 -0.101) 0.227 15.706 ( -1.326 0.000 3.170) 3.436 16.052 ( -0.881 0.000 -1.276) 1.550 16.080 ( -2.219 0.000 1.630) 2.753 18.655 ( -2.115 0.000 0.607) 2.200 18.671 ( -1.031 0.000 0.912) 1.376 18.828 ( -8.295 0.000 3.245) 8.907 19.063 ( -13.684 0.000 -0.807) 13.708 20.480 ( 0.674 0.000 1.724) 1.851 20.538 ( -0.866 0.000 -1.412) 1.656 20.542 ( 0.320 0.000 1.075) 1.122 20.559 ( -1.547 0.000 -2.183) 2.676 20.739 ( 3.943 0.000 -2.713) 4.786 20.877 ( 6.405 0.000 2.472) 6.865 20.957 ( 2.244 0.000 -3.722) 4.346 21.089 ( 0.856 0.000 0.285) 0.903 21.110 ( 4.281 0.000 -1.236) 4.456 21.110 ( -1.717 0.000 2.640) 3.149 21.217 ( 3.029 0.000 -4.194) 5.173 21.373 ( -2.435 0.000 5.220) 5.760 21.425 ( 0.841 0.000 -1.347) 1.588 21.448 ( 0.298 0.000 -0.216) 0.368 21.514 ( 0.780 0.000 -0.674) 1.031 21.537 ( 2.782 0.000 1.414) 3.121 21.557 ( 2.199 0.000 -4.449) 4.962 21.767 ( 1.850 0.000 -3.323) 3.803 21.774 ( 2.143 0.000 3.304) 3.938 21.862 ( 2.647 0.000 3.552) 4.430 21.929 ( 2.752 0.000 2.494) 3.714 22.280 ( -2.269 0.000 -4.276) 4.840 22.352 ( -2.293 0.000 -0.125) 2.296 22.603 ( -4.764 0.000 0.459) 4.786 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 16.132 0.000 -2.541) 16.331 1.435 ( 16.396 0.000 5.065) 17.161 1.477 ( 5.247 0.000 -0.052) 5.248 1.593 ( 12.698 0.000 -6.054) 14.068 1.750 ( 1.476 0.000 -3.945) 4.212 1.799 ( 1.120 0.000 -6.686) 6.779 2.014 ( 6.873 0.000 -0.700) 6.909 2.057 ( -7.514 0.000 0.302) 7.521 2.205 ( 1.960 0.000 -6.449) 6.740 2.227 ( 2.104 0.000 2.936) 3.612 2.266 ( 4.890 0.000 2.950) 5.710 2.347 ( 4.058 0.000 6.536) 7.693 2.485 ( 6.226 0.000 2.510) 6.713 2.494 ( 2.747 0.000 1.744) 3.254 2.580 ( -1.955 0.000 5.964) 6.276 2.644 ( -2.831 0.000 2.827) 4.001 2.679 ( -0.025 0.000 -2.081) 2.081 2.683 ( -0.891 0.000 -3.926) 4.026 2.730 ( -1.944 0.000 -3.459) 3.968 2.779 ( 1.116 0.000 -1.932) 2.231 2.791 ( -5.900 0.000 1.951) 6.214 2.878 ( -0.107 0.000 0.560) 0.570 2.916 ( 12.042 0.000 3.672) 12.589 2.968 ( 2.966 0.000 -0.338) 2.985 2.991 ( -1.851 0.000 -2.441) 3.063 3.017 ( 2.683 0.000 1.191) 2.936 3.034 ( -1.811 0.000 -0.158) 1.817 3.097 ( 3.806 0.000 -0.949) 3.922 3.120 ( 1.747 0.000 -0.026) 1.747 3.179 ( -4.568 0.000 1.269) 4.741 3.185 ( -5.068 0.000 -2.120) 5.493 3.274 ( -1.843 0.000 -0.727) 1.982 3.277 ( -6.167 0.000 -4.103) 7.407 3.310 ( -2.815 0.000 -3.251) 4.300 3.312 ( 2.285 0.000 0.267) 2.300 3.376 ( -3.326 0.000 3.722) 4.992 3.461 ( -2.337 0.000 -1.719) 2.901 3.493 ( -3.106 0.000 2.900) 4.249 3.552 ( -0.946 0.000 -1.280) 1.591 3.568 ( 2.414 0.000 0.737) 2.524 3.604 ( 5.377 0.000 4.581) 7.064 3.634 ( 0.856 0.000 0.946) 1.276 3.662 ( -1.473 0.000 -2.818) 3.180 3.678 ( -1.226 0.000 1.631) 2.041 3.729 ( 5.463 0.000 6.889) 8.792 3.806 ( 3.455 0.000 3.051) 4.609 3.843 ( 0.045 0.000 3.850) 3.850 3.890 ( 2.259 0.000 -1.945) 2.981 3.892 ( 1.781 0.000 5.165) 5.464 3.984 ( 5.183 0.000 0.598) 5.218 4.043 ( 2.910 0.000 -4.404) 5.279 4.078 ( 3.722 0.000 5.822) 6.911 4.151 ( 5.837 0.000 -5.958) 8.341 4.173 ( 2.777 0.000 -1.322) 3.075 4.178 ( 5.337 0.000 -5.636) 7.762 4.292 ( 2.005 0.000 2.200) 2.976 4.368 ( 6.562 0.000 -4.624) 8.027 4.385 ( 1.229 0.000 -0.327) 1.272 4.410 ( -0.999 0.000 4.553) 4.661 4.437 ( 1.069 0.000 -3.560) 3.717 4.497 ( 1.889 0.000 -2.852) 3.421 4.499 ( 0.613 0.000 0.145) 0.630 4.527 ( -2.563 0.000 -3.023) 3.964 4.552 ( -2.445 0.000 0.561) 2.509 4.600 ( -3.668 0.000 1.974) 4.165 4.644 ( 1.773 0.000 -0.897) 1.987 4.657 ( 0.144 0.000 -4.150) 4.153 4.736 ( -8.128 0.000 1.835) 8.332 4.773 ( -9.886 0.000 2.291) 10.148 4.831 ( -2.957 0.000 4.064) 5.026 4.866 ( -1.883 0.000 2.025) 2.765 4.876 ( 0.359 0.000 -1.422) 1.467 4.914 ( -4.804 0.000 0.381) 4.819 5.024 ( -5.501 0.000 -3.145) 6.337 5.113 ( 1.941 0.000 4.787) 5.166 5.140 ( -2.194 0.000 1.040) 2.427 5.179 ( 0.678 0.000 0.060) 0.681 5.265 ( 0.523 0.000 1.888) 1.959 5.271 ( -4.221 0.000 -1.774) 4.579 5.338 ( 3.003 0.000 -1.448) 3.334 5.425 ( 0.808 0.000 -0.421) 0.911 5.436 ( -1.533 0.000 0.039) 1.534 5.438 ( 0.407 0.000 1.212) 1.279 5.544 ( 3.477 0.000 -0.533) 3.518 5.612 ( -3.323 0.000 -3.621) 4.915 5.673 ( -2.110 0.000 -0.432) 2.154 5.714 ( -2.489 0.000 0.063) 2.490 5.830 ( -1.123 0.000 -1.344) 1.751 5.851 ( -3.351 0.000 -2.727) 4.321 5.860 ( -2.854 0.000 0.575) 2.911 5.966 ( -9.854 0.000 -4.342) 10.769 6.016 ( -1.130 0.000 0.076) 1.133 6.215 ( -2.204 0.000 1.115) 2.470 6.219 ( -3.047 0.000 -0.138) 3.050 6.335 ( 0.062 0.000 -1.196) 1.198 6.391 ( 1.544 0.000 2.943) 3.324 6.755 ( -2.005 0.000 -0.176) 2.013 6.959 ( -0.344 0.000 0.255) 0.428 7.108 ( -0.635 0.000 1.260) 1.411 7.224 ( 0.558 0.000 -0.948) 1.101 7.444 ( 0.332 0.000 1.322) 1.363 7.477 ( -0.157 0.000 3.672) 3.675 7.509 ( -3.591 0.000 0.461) 3.620 7.533 ( -3.362 0.000 -0.338) 3.379 7.718 ( -1.471 0.000 -0.867) 1.708 7.768 ( -1.309 0.000 -2.025) 2.412 8.000 ( 0.677 0.000 0.490) 0.835 8.066 ( 2.740 0.000 -0.449) 2.776 8.590 ( 2.701 0.000 -0.286) 2.716 8.717 ( -2.770 0.000 -2.015) 3.425 8.861 ( 0.655 0.000 0.058) 0.657 9.017 ( -1.167 0.000 -0.362) 1.222 9.097 ( 0.335 0.000 -2.277) 2.301 9.249 ( -2.427 0.000 -0.381) 2.457 9.323 ( 0.832 0.000 -2.316) 2.461 9.457 ( -1.350 0.000 1.721) 2.187 9.512 ( 0.974 0.000 -1.999) 2.223 9.556 ( -3.538 0.000 15.318) 15.721 9.576 ( 0.668 0.000 -1.906) 2.020 9.600 ( 3.030 0.000 -7.480) 8.070 9.616 ( 1.647 0.000 1.743) 2.398 9.686 ( -1.255 0.000 4.398) 4.574 9.802 ( -6.069 0.000 -2.283) 6.484 9.911 ( 1.137 0.000 1.078) 1.567 10.005 ( -1.425 0.000 -4.346) 4.574 10.124 ( -0.197 0.000 -1.867) 1.878 10.237 ( 1.331 0.000 1.552) 2.044 10.353 ( -0.352 0.000 1.594) 1.632 10.912 ( 1.094 0.000 10.460) 10.517 11.059 ( 1.632 0.000 -6.107) 6.321 11.213 ( 3.343 0.000 0.988) 3.486 11.269 ( 2.472 0.000 -3.774) 4.511 11.391 ( 3.104 0.000 0.593) 3.161 11.397 ( 1.634 0.000 0.109) 1.637 11.426 ( 5.142 0.000 -4.267) 6.682 11.575 ( -5.462 0.000 2.780) 6.128 11.878 ( 0.469 0.000 0.299) 0.556 11.954 ( 2.327 0.000 -0.872) 2.485 12.257 ( -1.516 0.000 0.042) 1.516 12.335 ( -0.938 0.000 -0.062) 0.940 13.851 ( 0.089 0.000 0.862) 0.866 13.941 ( -3.547 0.000 -1.494) 3.849 14.009 ( 0.777 0.000 -0.348) 0.852 14.032 ( -0.651 0.000 1.826) 1.938 14.674 ( 1.210 0.000 -0.866) 1.488 14.774 ( 1.221 0.000 0.699) 1.407 14.900 ( 2.343 0.000 -1.268) 2.665 15.069 ( -0.911 0.000 -0.027) 0.911 15.688 ( 0.152 0.000 -0.114) 0.190 15.703 ( -0.605 0.000 1.411) 1.535 16.029 ( -0.545 0.000 -0.635) 0.837 16.053 ( -1.392 0.000 0.930) 1.674 18.622 ( -1.374 0.000 0.292) 1.405 18.668 ( 0.415 0.000 0.692) 0.807 18.711 ( -4.686 0.000 1.303) 4.864 18.833 ( -8.604 0.000 -0.527) 8.620 20.502 ( 0.633 0.000 1.055) 1.230 20.510 ( -0.810 0.000 -1.182) 1.433 20.522 ( -0.675 0.000 -1.890) 2.007 20.548 ( -0.236 0.000 0.211) 0.316 20.808 ( 4.042 0.000 -1.272) 4.237 20.953 ( -0.257 0.000 -2.668) 2.680 20.997 ( 4.517 0.000 0.065) 4.518 21.092 ( -0.398 0.000 0.416) 0.576 21.094 ( -1.953 0.000 2.807) 3.420 21.179 ( 2.788 0.000 -0.621) 2.857 21.251 ( 2.782 0.000 -2.957) 4.061 21.354 ( -2.466 0.000 3.572) 4.340 21.433 ( 0.235 0.000 0.414) 0.476 21.456 ( 0.362 0.000 0.070) 0.369 21.520 ( 0.309 0.000 -0.491) 0.580 21.548 ( 0.772 0.000 -2.970) 3.069 21.621 ( 2.387 0.000 2.299) 3.314 21.786 ( 1.525 0.000 -1.355) 2.040 21.842 ( 2.105 0.000 2.602) 3.347 21.938 ( 2.297 0.000 2.507) 3.400 22.007 ( 3.468 0.000 2.387) 4.210 22.197 ( -3.047 0.000 -4.190) 5.180 22.312 ( -1.454 0.000 0.069) 1.456 22.506 ( -4.366 0.000 -0.603) 4.408 ======================= Grid point 4 (5/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 22 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.644 ( -0.000 0.000 -0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.834 ( -0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 -0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 -0.000) 0.000 2.187 ( -0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.337 ( -0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 -0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.621 ( -0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.653 ( -0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 -0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 -0.000) 0.000 2.959 ( -0.000 0.000 -0.000) 0.000 2.997 ( -0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.073 ( -0.000 0.000 -0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 -0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.237 ( -0.000 0.000 -0.000) 0.000 3.292 ( 0.000 0.000 -0.000) 0.000 3.309 ( 0.000 0.000 -0.000) 0.000 3.373 ( -0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.431 ( -0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 -0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.611 ( -0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.714 ( -0.000 0.000 -0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.035 ( -0.000 0.000 -0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.243 ( -0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.407 ( -0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 -0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 -0.000) 0.000 4.526 ( -0.000 0.000 0.000) 0.000 4.529 ( -0.000 0.000 0.000) 0.000 4.554 ( -0.000 0.000 -0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.594 ( -0.000 0.000 0.000) 0.000 4.616 ( -0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 -0.000) 0.000 4.869 ( -0.000 0.000 0.000) 0.000 4.890 ( -0.000 0.000 -0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.175 ( -0.000 0.000 -0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.178 ( -0.000 0.000 -0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.374 ( -0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 -0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 -0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.646 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 6.006 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 -0.000) 0.000 7.744 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 -0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 8.663 ( -0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.094 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 9.324 ( 0.000 0.000 0.000) 0.000 9.448 ( 0.000 0.000 0.000) 0.000 9.518 ( 0.000 0.000 -0.000) 0.000 9.573 ( -0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 -0.000) 0.000 9.627 ( -0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 9.938 ( 0.000 0.000 -0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 -0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.971 ( 0.000 0.000 -0.000) 0.000 11.046 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.413 ( -0.000 0.000 0.000) 0.000 11.424 ( 0.000 0.000 -0.000) 0.000 11.473 ( -0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 -0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.324 ( 0.000 0.000 0.000) 0.000 13.864 ( -0.000 0.000 -0.000) 0.000 13.891 ( 0.000 0.000 0.000) 0.000 14.017 ( -0.000 0.000 0.000) 0.000 14.031 ( 0.000 0.000 -0.000) 0.000 14.683 ( 0.000 0.000 0.000) 0.000 14.789 ( 0.000 0.000 0.000) 0.000 14.919 ( 0.000 0.000 0.000) 0.000 15.059 ( 0.000 0.000 0.000) 0.000 15.689 ( 0.000 0.000 0.000) 0.000 15.702 ( 0.000 0.000 0.000) 0.000 16.022 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 18.609 ( 0.000 0.000 0.000) 0.000 18.668 ( 0.000 0.000 0.000) 0.000 18.709 ( 0.000 0.000 0.000) 0.000 18.710 ( -0.000 0.000 -0.000) 0.000 20.497 ( 0.000 0.000 0.000) 0.000 20.508 ( 0.000 0.000 0.000) 0.000 20.515 ( 0.000 0.000 0.000) 0.000 20.543 ( 0.000 0.000 0.000) 0.000 20.856 ( 0.000 0.000 0.000) 0.000 20.928 ( -0.000 0.000 -0.000) 0.000 21.056 ( -0.000 0.000 0.000) 0.000 21.071 ( 0.000 0.000 -0.000) 0.000 21.088 ( 0.000 0.000 0.000) 0.000 21.205 ( 0.000 0.000 0.000) 0.000 21.273 ( -0.000 0.000 0.000) 0.000 21.338 ( 0.000 0.000 0.000) 0.000 21.437 ( 0.000 0.000 0.000) 0.000 21.460 ( 0.000 0.000 0.000) 0.000 21.521 ( 0.000 0.000 0.000) 0.000 21.545 ( 0.000 0.000 0.000) 0.000 21.654 ( 0.000 0.000 -0.000) 0.000 21.799 ( 0.000 0.000 0.000) 0.000 21.876 ( 0.000 0.000 -0.000) 0.000 21.972 ( 0.000 0.000 0.000) 0.000 22.101 ( 0.000 0.000 0.000) 0.000 22.102 ( -0.000 0.000 -0.000) 0.000 22.300 ( 0.000 0.000 0.000) 0.000 22.452 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/42) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.000 21.747 0.000) 21.747 0.569 ( 0.000 26.672 0.000) 26.672 0.886 ( 0.000 -16.846 0.000) 16.846 1.027 ( 0.000 31.397 0.000) 31.397 1.135 ( 0.000 -6.525 0.000) 6.525 1.292 ( 0.000 5.948 0.000) 5.948 1.454 ( 0.000 -8.228 0.000) 8.228 1.631 ( 0.000 9.230 0.000) 9.230 1.803 ( 0.000 -4.561 0.000) 4.561 2.040 ( 0.000 -42.559 0.000) 42.559 2.051 ( 0.000 14.742 0.000) 14.742 2.255 ( 0.000 -2.038 0.000) 2.038 2.284 ( 0.000 5.676 0.000) 5.676 2.377 ( 0.000 -10.172 0.000) 10.172 2.381 ( 0.000 6.215 0.000) 6.215 2.508 ( 0.000 -1.939 0.000) 1.939 2.534 ( 0.000 1.978 0.000) 1.978 2.666 ( 0.000 -5.393 0.000) 5.393 2.737 ( 0.000 4.408 0.000) 4.408 2.749 ( 0.000 -2.977 0.000) 2.977 2.820 ( 0.000 -0.267 0.000) 0.267 2.859 ( 0.000 7.538 0.000) 7.538 2.876 ( 0.000 6.464 0.000) 6.464 2.935 ( 0.000 -3.826 0.000) 3.826 3.005 ( 0.000 -1.102 0.000) 1.102 3.017 ( 0.000 -3.355 0.000) 3.355 3.045 ( 0.000 -2.309 0.000) 2.309 3.104 ( 0.000 -9.992 0.000) 9.992 3.136 ( 0.000 -2.009 0.000) 2.009 3.186 ( 0.000 -5.302 0.000) 5.302 3.282 ( 0.000 2.060 0.000) 2.060 3.297 ( 0.000 -0.076 0.000) 0.076 3.326 ( 0.000 2.280 0.000) 2.280 3.360 ( 0.000 -3.072 0.000) 3.072 3.382 ( 0.000 -0.138 0.000) 0.138 3.416 ( 0.000 1.836 0.000) 1.836 3.446 ( 0.000 -2.054 0.000) 2.054 3.462 ( 0.000 -0.118 0.000) 0.118 3.524 ( 0.000 5.104 0.000) 5.104 3.585 ( 0.000 -0.731 0.000) 0.731 3.617 ( 0.000 11.405 0.000) 11.405 3.671 ( 0.000 1.723 0.000) 1.723 3.708 ( 0.000 2.353 0.000) 2.353 3.735 ( 0.000 3.649 0.000) 3.649 3.784 ( 0.000 9.951 0.000) 9.951 3.794 ( 0.000 -0.103 0.000) 0.103 3.839 ( 0.000 0.202 0.000) 0.202 3.899 ( 0.000 -2.070 0.000) 2.070 3.949 ( 0.000 -2.576 0.000) 2.576 3.982 ( 0.000 -3.427 0.000) 3.427 3.998 ( 0.000 1.956 0.000) 1.956 4.072 ( 0.000 -1.579 0.000) 1.579 4.214 ( 0.000 -1.438 0.000) 1.438 4.251 ( 0.000 0.213 0.000) 0.213 4.266 ( 0.000 2.603 0.000) 2.603 4.298 ( 0.000 2.478 0.000) 2.478 4.404 ( 0.000 -0.460 0.000) 0.460 4.405 ( 0.000 -2.445 0.000) 2.445 4.436 ( 0.000 4.692 0.000) 4.692 4.466 ( 0.000 -3.338 0.000) 3.338 4.488 ( 0.000 -1.018 0.000) 1.018 4.501 ( 0.000 -0.345 0.000) 0.345 4.523 ( 0.000 -1.104 0.000) 1.104 4.595 ( 0.000 -3.709 0.000) 3.709 4.648 ( 0.000 -2.111 0.000) 2.111 4.661 ( 0.000 -1.830 0.000) 1.830 4.790 ( 0.000 1.954 0.000) 1.954 4.832 ( 0.000 1.830 0.000) 1.830 4.844 ( 0.000 -2.411 0.000) 2.411 4.882 ( 0.000 -2.847 0.000) 2.847 4.980 ( 0.000 3.070 0.000) 3.070 5.044 ( 0.000 -1.956 0.000) 1.956 5.056 ( 0.000 6.261 0.000) 6.261 5.077 ( 0.000 1.004 0.000) 1.004 5.078 ( 0.000 1.978 0.000) 1.978 5.143 ( 0.000 3.884 0.000) 3.884 5.156 ( 0.000 -1.956 0.000) 1.956 5.240 ( 0.000 -3.249 0.000) 3.249 5.258 ( 0.000 5.902 0.000) 5.902 5.318 ( 0.000 0.402 0.000) 0.402 5.331 ( 0.000 -3.711 0.000) 3.711 5.392 ( 0.000 -5.000 0.000) 5.000 5.489 ( 0.000 1.487 0.000) 1.487 5.521 ( 0.000 -1.474 0.000) 1.474 5.638 ( 0.000 7.001 0.000) 7.001 5.757 ( 0.000 -3.567 0.000) 3.567 5.825 ( 0.000 -1.045 0.000) 1.045 5.834 ( 0.000 -1.820 0.000) 1.820 5.986 ( 0.000 -0.574 0.000) 0.574 5.998 ( 0.000 -0.977 0.000) 0.977 6.127 ( 0.000 1.781 0.000) 1.781 6.154 ( 0.000 -0.953 0.000) 0.953 6.262 ( 0.000 0.252 0.000) 0.252 6.289 ( 0.000 -2.205 0.000) 2.205 6.302 ( 0.000 0.665 0.000) 0.665 6.328 ( 0.000 -1.477 0.000) 1.477 6.916 ( 0.000 1.632 0.000) 1.632 6.954 ( 0.000 -1.866 0.000) 1.866 7.170 ( 0.000 0.521 0.000) 0.521 7.175 ( 0.000 -0.014 0.000) 0.014 7.399 ( 0.000 0.923 0.000) 0.923 7.419 ( 0.000 -0.787 0.000) 0.787 7.687 ( 0.000 1.190 0.000) 1.190 7.705 ( 0.000 -0.432 0.000) 0.432 7.871 ( 0.000 -0.195 0.000) 0.195 7.879 ( 0.000 -0.863 0.000) 0.863 7.964 ( 0.000 1.232 0.000) 1.232 7.976 ( 0.000 0.150 0.000) 0.150 8.508 ( 0.000 1.352 0.000) 1.352 8.533 ( 0.000 -0.884 0.000) 0.884 9.020 ( 0.000 2.684 0.000) 2.684 9.089 ( 0.000 -3.215 0.000) 3.215 9.244 ( 0.000 3.710 0.000) 3.710 9.304 ( 0.000 0.227 0.000) 0.227 9.325 ( 0.000 -0.754 0.000) 0.754 9.349 ( 0.000 -4.816 0.000) 4.816 9.493 ( 0.000 3.286 0.000) 3.286 9.575 ( 0.000 -3.887 0.000) 3.887 9.667 ( 0.000 6.704 0.000) 6.704 9.715 ( 0.000 0.821 0.000) 0.821 9.716 ( 0.000 1.031 0.000) 1.031 9.788 ( 0.000 -2.148 0.000) 2.148 9.927 ( 0.000 0.128 0.000) 0.128 10.000 ( 0.000 -4.492 0.000) 4.492 10.169 ( 0.000 1.360 0.000) 1.360 10.182 ( 0.000 -0.195 0.000) 0.195 10.470 ( 0.000 0.034 0.000) 0.034 10.494 ( 0.000 -1.683 0.000) 1.683 10.764 ( 0.000 5.911 0.000) 5.911 10.910 ( 0.000 -6.502 0.000) 6.502 11.085 ( 0.000 1.813 0.000) 1.813 11.153 ( 0.000 -2.623 0.000) 2.623 11.180 ( 0.000 0.111 0.000) 0.111 11.187 ( 0.000 -1.194 0.000) 1.194 11.572 ( 0.000 5.754 0.000) 5.754 11.608 ( 0.000 1.329 0.000) 1.329 11.695 ( 0.000 0.039 0.000) 0.039 11.745 ( 0.000 -3.519 0.000) 3.519 12.348 ( 0.000 0.378 0.000) 0.378 12.357 ( 0.000 -0.365 0.000) 0.365 13.982 ( 0.000 0.599 0.000) 0.599 13.997 ( 0.000 -0.717 0.000) 0.717 14.235 ( 0.000 0.172 0.000) 0.172 14.238 ( 0.000 -0.121 0.000) 0.121 14.608 ( 0.000 0.335 0.000) 0.335 14.615 ( 0.000 -0.244 0.000) 0.244 14.704 ( 0.000 0.552 0.000) 0.552 14.716 ( 0.000 -0.549 0.000) 0.549 15.686 ( 0.000 0.492 0.000) 0.492 15.698 ( 0.000 -0.519 0.000) 0.519 16.150 ( 0.000 1.322 0.000) 1.322 16.181 ( 0.000 -1.374 0.000) 1.374 18.767 ( 0.000 5.640 0.000) 5.640 18.909 ( 0.000 -6.874 0.000) 6.874 19.569 ( 0.000 4.324 0.000) 4.324 19.651 ( 0.000 -2.974 0.000) 2.974 20.420 ( 0.000 0.522 0.000) 0.522 20.433 ( 0.000 -0.567 0.000) 0.567 20.599 ( 0.000 0.941 0.000) 0.941 20.622 ( 0.000 -1.112 0.000) 1.112 20.710 ( 0.000 0.263 0.000) 0.263 20.715 ( 0.000 -0.099 0.000) 0.099 20.740 ( 0.000 0.210 0.000) 0.210 20.743 ( 0.000 -0.016 0.000) 0.016 21.058 ( 0.000 1.555 0.000) 1.555 21.103 ( 0.000 -2.386 0.000) 2.386 21.358 ( 0.000 0.306 0.000) 0.306 21.367 ( 0.000 -0.517 0.000) 0.517 21.468 ( 0.000 0.447 0.000) 0.447 21.476 ( 0.000 -0.260 0.000) 0.260 21.481 ( 0.000 -0.015 0.000) 0.015 21.482 ( 0.000 -0.123 0.000) 0.123 21.597 ( 0.000 1.217 0.000) 1.217 21.611 ( 0.000 -0.146 0.000) 0.146 21.731 ( 0.000 0.766 0.000) 0.766 21.756 ( 0.000 -1.514 0.000) 1.514 21.818 ( 0.000 0.699 0.000) 0.699 21.825 ( 0.000 -0.028 0.000) 0.028 22.632 ( 0.000 1.809 0.000) 1.809 22.677 ( 0.000 -2.013 0.000) 2.013 ======================= Grid point 10 (7/42) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 16.379 16.610 -1.524) 23.377 0.865 ( 16.087 18.599 9.580) 26.391 1.068 ( 12.675 -11.833 -1.288) 17.388 1.253 ( 14.501 -12.642 6.956) 20.457 1.356 ( 8.403 8.743 0.211) 12.128 1.412 ( 22.011 11.716 6.416) 25.748 1.529 ( 9.389 -3.679 -1.276) 10.164 1.699 ( 7.694 10.516 3.002) 13.372 1.811 ( 2.949 -7.060 -5.609) 9.486 2.056 ( 4.133 4.379 1.087) 6.119 2.199 ( 4.256 -3.479 -10.297) 11.672 2.230 ( 10.382 -17.983 0.052) 20.765 2.285 ( -0.063 11.641 -2.390) 11.884 2.324 ( 5.605 -4.749 -8.094) 10.931 2.485 ( 3.121 -10.092 3.804) 11.228 2.504 ( 2.439 -5.578 -1.969) 6.399 2.677 ( 5.190 3.081 3.129) 6.798 2.716 ( -2.527 6.150 -0.840) 6.702 2.742 ( 1.598 -2.469 -0.588) 2.999 2.759 ( -2.541 4.853 1.564) 5.697 2.791 ( 3.623 2.075 2.845) 5.052 2.829 ( 1.356 -1.996 2.804) 3.699 2.880 ( -5.267 -4.509 3.214) 7.643 2.930 ( -1.845 -1.542 -1.429) 2.797 2.981 ( -1.351 0.060 -3.354) 3.616 3.025 ( 3.114 6.442 2.868) 7.708 3.056 ( -5.062 -6.625 0.433) 8.349 3.084 ( 2.816 -0.410 2.123) 3.550 3.127 ( -1.650 -2.479 0.268) 2.990 3.182 ( -4.010 0.030 -2.231) 4.589 3.210 ( 1.243 -6.237 -1.607) 6.559 3.241 ( -3.589 -2.029 -1.400) 4.354 3.294 ( 0.093 -2.515 -0.455) 2.558 3.316 ( -1.864 -1.749 1.146) 2.801 3.393 ( -0.931 2.520 -2.571) 3.719 3.414 ( -2.072 1.024 -2.258) 3.231 3.461 ( 0.945 2.898 3.287) 4.482 3.480 ( -1.240 0.920 -2.286) 2.759 3.536 ( 2.780 -1.192 -0.379) 3.048 3.547 ( -3.818 -3.840 -0.731) 5.464 3.570 ( 0.001 2.894 4.920) 5.708 3.633 ( -1.879 -3.322 -2.541) 4.585 3.675 ( -4.211 4.945 3.001) 7.155 3.732 ( -1.749 1.574 3.465) 4.188 3.773 ( -1.899 5.631 0.554) 5.969 3.825 ( -1.663 -1.616 1.164) 2.594 3.855 ( 2.815 6.934 -2.835) 8.002 3.912 ( 3.581 3.392 -0.740) 4.987 3.955 ( 1.767 3.470 -4.762) 6.151 3.995 ( 2.013 2.203 -1.106) 3.183 4.035 ( -1.879 -0.474 0.505) 2.002 4.076 ( -3.513 -3.463 1.824) 5.260 4.136 ( -2.039 4.179 -2.650) 5.352 4.195 ( -0.956 1.674 1.799) 2.637 4.219 ( -7.704 0.011 -2.396) 8.068 4.254 ( -0.017 -1.643 -2.459) 2.957 4.306 ( -4.693 1.114 -0.795) 4.888 4.356 ( -0.971 -1.824 0.219) 2.077 4.384 ( 0.400 2.136 -0.829) 2.326 4.467 ( -0.090 0.080 -1.491) 1.496 4.492 ( -0.853 -1.351 -1.516) 2.202 4.497 ( -1.153 -3.592 1.874) 4.212 4.549 ( 1.612 1.068 0.544) 2.009 4.629 ( 2.579 -2.869 1.151) 4.026 4.648 ( -3.120 2.157 0.390) 3.813 4.685 ( -1.357 -2.067 2.159) 3.282 4.762 ( -1.128 1.331 -1.284) 2.166 4.803 ( -1.306 -0.938 -3.285) 3.657 4.884 ( 2.038 0.191 3.067) 3.687 4.906 ( 1.384 -2.732 2.641) 4.045 4.945 ( -3.625 4.523 -1.962) 6.119 5.008 ( 0.120 3.851 -0.826) 3.940 5.031 ( -3.175 -3.675 0.882) 4.937 5.099 ( 2.922 3.148 -1.920) 4.705 5.103 ( 2.549 -1.254 0.626) 2.909 5.149 ( -1.343 1.535 1.674) 2.639 5.164 ( -2.594 -2.401 2.160) 4.143 5.198 ( -0.553 -3.369 -1.221) 3.626 5.243 ( -0.386 6.340 3.769) 7.386 5.353 ( -0.445 -0.820 2.272) 2.456 5.409 ( 3.175 1.252 0.966) 3.547 5.441 ( 2.118 0.466 -1.393) 2.578 5.474 ( -0.190 2.946 -0.466) 2.989 5.539 ( 1.778 -0.872 1.085) 2.258 5.704 ( 1.680 -1.090 3.359) 3.911 5.737 ( 0.286 -1.626 -2.786) 3.238 5.807 ( -1.060 -2.387 -2.217) 3.426 5.851 ( -1.102 -5.418 0.177) 5.532 5.945 ( -1.654 -0.873 -0.644) 1.978 5.953 ( -2.778 -1.299 -0.978) 3.219 6.075 ( -2.656 1.955 -0.640) 3.359 6.125 ( -1.878 -2.265 -0.551) 2.994 6.289 ( -0.799 0.804 0.238) 1.158 6.314 ( -0.048 -1.085 0.221) 1.109 6.341 ( 0.782 -0.100 2.058) 2.204 6.382 ( 3.936 -4.388 -2.441) 6.380 6.896 ( -1.829 0.962 -0.287) 2.086 6.941 ( -1.249 -2.495 0.013) 2.790 7.149 ( -1.322 1.975 1.342) 2.729 7.186 ( 0.727 -1.301 -1.312) 1.985 7.413 ( 0.552 0.966 2.306) 2.561 7.430 ( 0.109 -0.381 1.674) 1.720 7.670 ( -1.851 1.509 0.027) 2.388 7.700 ( -1.451 -1.339 -0.140) 1.980 7.825 ( -2.565 -0.223 -1.014) 2.767 7.837 ( -3.297 -0.895 -0.380) 3.437 7.974 ( 1.270 1.523 -0.382) 2.019 7.984 ( 0.858 0.208 -0.618) 1.078 8.531 ( 1.703 2.193 0.478) 2.818 8.600 ( 3.557 -5.093 1.265) 6.339 8.996 ( -0.882 4.007 -2.393) 4.750 9.076 ( -1.755 -3.311 0.497) 3.781 9.214 ( -0.622 3.781 -4.234) 5.711 9.299 ( 0.108 -3.584 -4.266) 5.573 9.345 ( -0.919 -0.796 6.406) 6.520 9.356 ( -1.035 -1.799 4.975) 5.391 9.497 ( -0.317 2.777 2.131) 3.515 9.562 ( -0.816 -2.792 -0.595) 2.969 9.619 ( -3.090 2.538 -2.370) 4.648 9.650 ( -4.955 -0.344 0.146) 4.969 9.738 ( 0.015 3.501 2.522) 4.314 9.800 ( 0.946 -0.177 1.318) 1.632 9.954 ( 1.365 0.150 0.503) 1.462 10.013 ( 1.949 -3.423 -2.671) 4.759 10.103 ( -10.457 7.899 -4.432) 13.834 10.156 ( -2.376 -0.054 -2.952) 3.790 10.248 ( -6.969 8.723 4.525) 12.047 10.389 ( -7.677 -3.940 3.546) 9.330 10.784 ( 0.601 5.392 4.358) 6.959 10.930 ( 0.766 -7.471 2.470) 7.906 11.062 ( 1.466 1.844 -2.027) 3.108 11.105 ( 2.267 -2.028 -1.014) 3.206 11.226 ( 4.883 0.744 -2.089) 5.363 11.230 ( 5.684 0.435 -3.037) 6.459 11.529 ( -1.848 7.928 -1.776) 8.332 11.686 ( -1.501 -6.183 -1.546) 6.548 11.751 ( 6.068 2.573 1.090) 6.680 11.830 ( 5.792 -4.940 -3.016) 8.189 12.336 ( -1.060 0.881 0.143) 1.386 12.355 ( -0.481 -0.771 0.332) 0.967 13.975 ( -2.150 2.549 -0.501) 3.372 13.997 ( -0.937 0.125 1.650) 1.902 14.036 ( -4.431 5.648 -2.142) 7.492 14.138 ( -6.126 -2.869 -2.025) 7.061 14.627 ( 2.153 2.282 0.172) 3.143 14.680 ( 1.058 -2.206 -0.764) 2.563 14.795 ( 5.879 2.891 1.087) 6.641 14.915 ( 8.478 -9.525 3.895) 13.333 15.686 ( -0.190 0.451 0.644) 0.809 15.698 ( -0.752 -0.664 2.155) 2.377 16.120 ( -2.500 1.178 -1.312) 3.060 16.127 ( -3.054 0.691 0.447) 3.162 18.740 ( -2.566 4.700 0.092) 5.356 18.845 ( -4.541 -3.134 -3.315) 6.437 19.127 ( -23.379 16.419 4.281) 28.887 19.330 ( -17.768 -3.694 -0.564) 18.157 20.466 ( 1.586 1.947 2.345) 3.435 20.512 ( -0.084 -1.925 2.784) 3.386 20.582 ( -1.837 1.274 0.249) 2.249 20.608 ( -3.049 -0.779 0.032) 3.147 20.688 ( 3.262 -0.330 -1.544) 3.624 20.701 ( 6.445 -1.717 1.109) 6.762 20.891 ( 7.908 0.432 -5.101) 9.420 20.933 ( 8.856 -3.944 -5.650) 11.221 21.079 ( 1.333 1.170 1.007) 2.040 21.110 ( 0.396 -1.478 0.474) 1.602 21.311 ( -4.200 5.092 4.620) 8.057 21.366 ( -2.030 -1.018 4.956) 5.452 21.420 ( 1.635 0.780 -5.079) 5.392 21.444 ( -0.265 -0.878 -2.125) 2.314 21.482 ( 0.470 -0.415 -0.355) 0.721 21.484 ( 0.497 -0.485 0.102) 0.702 21.611 ( 5.493 4.645 -9.575) 11.976 21.697 ( 3.262 -2.527 -4.666) 6.229 21.768 ( 1.580 1.245 1.112) 2.299 21.802 ( 1.499 -0.643 0.879) 1.853 21.871 ( 2.560 1.286 4.024) 4.940 21.987 ( 7.646 -12.713 5.854) 15.948 22.574 ( -3.736 4.838 -1.713) 6.348 22.648 ( -2.799 -2.505 0.136) 3.759 ======================= Grid point 11 (8/42) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 18.480 9.128 -1.408) 20.660 1.221 ( 14.044 9.812 6.752) 18.415 1.294 ( 11.474 -1.088 -2.112) 11.718 1.463 ( 9.054 5.763 -5.229) 11.938 1.606 ( 11.356 -10.744 4.071) 16.155 1.703 ( 13.162 -12.630 0.009) 18.241 1.750 ( 4.122 1.985 -0.592) 4.613 1.830 ( 4.655 -5.376 -4.714) 8.532 2.118 ( 13.720 7.034 -7.060) 16.957 2.222 ( 15.190 9.534 5.845) 18.863 2.287 ( 3.956 6.795 -1.066) 7.934 2.317 ( 10.720 7.364 3.182) 13.390 2.381 ( 4.908 -7.726 -6.661) 11.321 2.454 ( 4.929 -2.110 -1.561) 5.584 2.516 ( 3.714 -0.815 4.341) 5.771 2.562 ( -3.368 -0.108 0.755) 3.453 2.671 ( 0.560 0.444 1.240) 1.432 2.712 ( 3.000 -0.331 -1.543) 3.390 2.721 ( -2.688 -1.826 -0.100) 3.251 2.778 ( -3.546 -2.242 1.054) 4.326 2.805 ( 1.528 -5.296 -2.104) 5.900 2.823 ( 1.808 -2.058 1.767) 3.259 2.867 ( 0.277 0.062 -2.545) 2.560 2.916 ( 1.487 0.375 1.369) 2.056 2.963 ( -0.074 -1.256 -0.497) 1.353 2.980 ( -1.836 -3.637 0.523) 4.107 3.045 ( -2.776 0.457 3.436) 4.441 3.114 ( -1.265 -3.889 2.124) 4.608 3.147 ( 1.417 2.081 -2.720) 3.706 3.164 ( -0.558 1.250 3.410) 3.675 3.186 ( -0.758 -3.227 1.260) 3.546 3.224 ( 0.285 -0.796 -2.102) 2.266 3.289 ( -1.502 -0.802 1.228) 2.099 3.334 ( 4.148 -0.758 1.931) 4.638 3.368 ( 0.211 1.102 0.068) 1.124 3.389 ( -1.092 -3.112 1.804) 3.759 3.443 ( -0.649 1.389 0.440) 1.595 3.476 ( -2.648 0.318 3.031) 4.038 3.487 ( 0.355 0.860 -0.125) 0.939 3.556 ( -1.186 2.255 0.981) 2.731 3.580 ( 0.563 -0.096 -1.196) 1.326 3.611 ( -1.213 0.083 0.686) 1.396 3.660 ( 0.872 -9.142 3.473) 9.818 3.675 ( -2.170 -0.668 0.133) 2.274 3.764 ( -6.211 3.955 0.167) 7.365 3.774 ( 0.558 1.144 3.406) 3.636 3.805 ( -5.511 1.486 -2.431) 6.204 3.890 ( -3.848 -2.759 -2.165) 5.206 3.925 ( 1.511 6.082 -1.488) 6.441 3.985 ( -4.470 0.935 -0.398) 4.584 4.032 ( 3.472 2.797 0.215) 4.463 4.048 ( 3.441 1.469 -3.700) 5.262 4.109 ( -1.195 0.168 0.047) 1.208 4.152 ( 4.187 1.874 -1.652) 4.876 4.195 ( -1.829 1.027 1.028) 2.336 4.268 ( 0.990 0.259 -5.807) 5.896 4.300 ( -1.136 2.127 1.564) 2.875 4.316 ( 4.513 3.174 0.462) 5.537 4.407 ( 1.424 -1.352 -2.378) 3.084 4.441 ( 0.363 0.190 -1.701) 1.750 4.477 ( -0.758 -3.090 -0.328) 3.198 4.527 ( 2.650 -3.886 -0.417) 4.722 4.584 ( -0.144 2.332 0.419) 2.374 4.618 ( -0.377 2.229 -0.946) 2.451 4.640 ( -1.371 1.817 0.087) 2.278 4.665 ( 0.855 2.215 2.465) 3.423 4.718 ( -2.274 0.505 -1.784) 2.934 4.755 ( -1.736 -3.233 -3.462) 5.045 4.813 ( -5.158 -1.902 4.279) 6.966 4.864 ( -5.733 -2.918 2.138) 6.779 4.929 ( -3.545 2.449 -0.780) 4.378 4.999 ( -0.245 -1.649 -0.433) 1.722 5.026 ( -1.441 2.666 0.529) 3.077 5.065 ( -3.867 1.150 1.735) 4.392 5.116 ( 0.126 0.303 -2.179) 2.203 5.153 ( 0.264 -4.905 2.230) 5.394 5.163 ( 0.250 0.568 0.332) 0.704 5.192 ( 2.008 -1.146 3.294) 4.025 5.285 ( -2.024 2.283 -0.103) 3.053 5.335 ( -0.532 -1.134 1.342) 1.836 5.426 ( 1.776 2.799 -2.671) 4.257 5.458 ( -0.042 0.522 -0.247) 0.579 5.520 ( 1.822 6.475 0.026) 6.726 5.573 ( 0.830 3.821 1.933) 4.362 5.705 ( -0.671 -0.454 -1.644) 1.833 5.718 ( -3.156 -0.630 1.149) 3.417 5.745 ( -3.310 -1.433 -2.609) 4.451 5.796 ( -1.798 -5.460 -2.572) 6.298 5.885 ( -3.624 -1.132 -0.894) 3.900 5.925 ( -1.696 -2.346 0.243) 2.905 6.021 ( -2.697 -0.745 -0.238) 2.808 6.063 ( -4.098 -3.697 -0.319) 5.528 6.271 ( -0.937 0.865 0.038) 1.275 6.303 ( -1.395 -1.806 0.164) 2.288 6.340 ( -1.749 0.666 -0.489) 1.935 6.356 ( -2.101 -0.519 -1.575) 2.677 6.846 ( -2.470 2.502 -0.256) 3.525 6.920 ( -0.752 -3.708 0.288) 3.795 7.139 ( -0.808 2.257 1.441) 2.797 7.190 ( 0.479 -2.208 -1.068) 2.499 7.443 ( -0.127 0.627 2.638) 2.715 7.446 ( 0.222 0.393 3.689) 3.716 7.611 ( -3.885 1.579 0.135) 4.196 7.630 ( -4.617 -0.094 -0.547) 4.650 7.765 ( -2.957 -0.509 -0.813) 3.108 7.777 ( -1.998 -1.809 -0.663) 2.775 8.003 ( 1.543 1.464 -0.051) 2.127 8.015 ( 2.922 0.356 -1.204) 3.180 8.567 ( 1.786 2.355 -0.332) 2.974 8.647 ( 1.142 -5.635 -0.664) 5.788 8.965 ( -0.973 4.677 -1.304) 4.952 9.032 ( -2.167 -2.135 -0.482) 3.080 9.172 ( -0.651 3.969 -3.301) 5.203 9.262 ( -1.484 -4.190 -2.219) 4.968 9.338 ( -0.824 1.083 0.154) 1.369 9.381 ( -1.320 -3.341 5.562) 6.621 9.509 ( 0.423 1.134 -1.539) 1.958 9.540 ( -2.107 0.390 2.317) 3.156 9.542 ( -1.444 -1.318 -3.625) 4.119 9.573 ( -2.914 -1.667 4.733) 5.803 9.742 ( -0.350 6.434 0.588) 6.471 9.836 ( 0.927 1.396 1.571) 2.297 9.883 ( -6.949 7.314 2.822) 10.476 9.955 ( -3.104 1.686 -1.944) 4.032 10.019 ( 0.129 -2.266 -3.804) 4.429 10.078 ( -0.764 -5.526 -2.715) 6.204 10.242 ( 0.547 3.594 1.851) 4.079 10.321 ( -1.553 -3.403 2.648) 4.583 10.853 ( 1.449 4.216 8.366) 9.480 10.972 ( 1.321 -6.664 3.461) 7.625 11.125 ( 5.148 1.574 -2.563) 5.963 11.174 ( 4.972 -2.879 -3.381) 6.667 11.323 ( 6.459 1.143 -4.011) 7.688 11.339 ( 6.942 -0.141 -4.138) 8.083 11.486 ( -2.092 7.649 1.306) 8.037 11.622 ( -4.175 -4.762 1.016) 6.415 11.849 ( 2.935 1.153 1.063) 3.328 11.889 ( 2.971 -2.427 -2.758) 4.725 12.310 ( -1.576 1.450 0.171) 2.148 12.341 ( -1.089 -1.209 0.165) 1.636 13.904 ( -2.585 4.180 -0.201) 4.919 13.982 ( -2.596 -2.460 -0.131) 3.578 14.016 ( -0.234 0.401 0.186) 0.501 14.035 ( -2.011 -0.880 0.754) 2.321 14.663 ( 1.872 1.410 -0.959) 2.533 14.703 ( 1.775 -2.204 -0.684) 2.912 14.903 ( 3.935 4.711 0.248) 6.143 15.018 ( 1.758 -5.610 0.843) 5.940 15.688 ( -0.053 0.333 0.543) 0.639 15.698 ( -0.696 -0.577 1.920) 2.122 16.067 ( -1.804 0.963 -0.801) 2.196 16.079 ( -2.287 -0.199 0.713) 2.404 18.680 ( -3.061 2.789 0.289) 4.151 18.733 ( -4.254 -0.145 -1.179) 4.416 18.860 ( -9.648 6.271 3.451) 12.014 19.008 ( -13.265 -5.358 -0.002) 14.306 20.496 ( 0.401 1.307 1.578) 2.088 20.524 ( 0.293 -1.158 0.914) 1.504 20.546 ( -1.475 0.404 -1.335) 2.030 20.556 ( -1.556 -0.397 -1.878) 2.471 20.768 ( 4.953 2.743 -1.883) 5.967 20.840 ( 5.739 -3.414 0.399) 6.690 20.966 ( 3.720 1.638 -2.993) 5.048 21.030 ( 4.994 -4.126 -3.922) 7.572 21.107 ( 0.458 1.075 1.490) 1.893 21.123 ( 0.203 0.022 1.570) 1.583 21.285 ( -0.649 4.152 0.598) 4.245 21.353 ( -2.540 -2.040 4.253) 5.358 21.426 ( 0.830 0.278 -1.399) 1.650 21.442 ( 0.898 -1.000 -1.194) 1.798 21.487 ( 0.046 0.237 0.637) 0.681 21.515 ( 1.800 -1.806 1.867) 3.160 21.646 ( 3.481 5.506 -5.603) 8.592 21.731 ( 3.006 -2.402 -3.282) 5.058 21.812 ( 1.652 2.195 2.573) 3.764 21.854 ( 2.242 -1.179 2.989) 3.918 21.953 ( 2.919 2.859 2.345) 4.710 22.085 ( 1.531 -9.820 -0.193) 9.941 22.487 ( -3.768 5.727 -1.519) 7.022 22.575 ( -4.303 -2.745 -0.187) 5.108 ======================= Grid point 12 (9/42) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 13.322 3.583 -2.256) 13.978 1.446 ( 7.189 -2.953 -0.739) 7.807 1.533 ( 11.526 7.614 -1.022) 13.852 1.641 ( 10.484 1.887 -4.615) 11.609 1.766 ( 3.214 -0.010 -8.054) 8.672 1.773 ( 4.147 -2.473 -4.080) 6.321 1.851 ( 6.913 -1.641 4.813) 8.581 2.027 ( 5.629 -12.442 4.187) 14.284 2.197 ( -6.930 5.630 -0.542) 8.945 2.251 ( 2.267 0.319 -0.830) 2.435 2.358 ( 5.181 8.216 1.191) 9.786 2.404 ( -1.148 3.638 1.458) 4.084 2.466 ( -1.453 -0.521 -0.104) 1.547 2.552 ( -2.332 -1.509 3.900) 4.788 2.557 ( 4.529 -3.904 1.017) 6.066 2.578 ( -1.607 -3.306 1.077) 3.831 2.674 ( 4.067 1.956 2.032) 4.950 2.718 ( 1.807 1.713 -3.509) 4.302 2.740 ( 1.684 -1.177 1.008) 2.289 2.809 ( -3.379 -1.479 -0.793) 3.773 2.824 ( -0.017 3.666 -2.023) 4.187 2.881 ( 0.284 4.396 2.136) 4.896 2.896 ( 6.622 0.406 2.019) 6.935 2.927 ( 1.372 -2.484 -0.823) 2.954 2.963 ( 1.224 -4.329 -0.831) 4.575 3.005 ( -0.903 -0.990 1.163) 1.775 3.051 ( 7.332 3.700 0.973) 8.270 3.074 ( -2.112 -0.072 -0.543) 2.182 3.110 ( -3.961 -0.657 -0.921) 4.120 3.168 ( -1.388 2.321 0.266) 2.718 3.188 ( -3.038 -2.673 -1.902) 4.471 3.227 ( 0.658 -5.474 -0.199) 5.517 3.229 ( -5.316 -2.964 -0.266) 6.092 3.312 ( -2.446 -2.595 0.389) 3.587 3.378 ( 0.949 -2.472 3.394) 4.304 3.407 ( -0.904 4.043 1.303) 4.343 3.414 ( -0.389 -0.680 -0.615) 0.996 3.466 ( -0.640 1.210 -0.464) 1.446 3.513 ( -0.798 1.755 -0.604) 2.020 3.523 ( 1.558 0.599 0.390) 1.714 3.582 ( 0.095 -0.560 -0.424) 0.709 3.646 ( -2.994 0.055 1.115) 3.196 3.661 ( -0.729 -0.252 3.326) 3.414 3.699 ( -0.791 -7.705 0.410) 7.756 3.736 ( 4.865 -0.404 4.186) 6.431 3.749 ( 0.173 0.052 0.382) 0.423 3.857 ( 5.298 2.841 3.207) 6.814 3.900 ( 6.986 2.943 2.126) 7.873 3.933 ( 1.961 0.169 -1.378) 2.403 3.992 ( 3.859 -0.393 -0.632) 3.930 4.039 ( 0.608 -1.672 -3.583) 4.000 4.115 ( 0.008 3.913 0.012) 3.913 4.130 ( 3.855 -1.238 1.197) 4.222 4.162 ( -0.354 -1.210 -1.847) 2.236 4.226 ( 4.045 -3.863 -1.863) 5.895 4.252 ( 5.530 0.005 -3.142) 6.360 4.294 ( -1.213 3.602 0.671) 3.859 4.390 ( -0.563 -3.949 -3.225) 5.130 4.459 ( 3.818 0.272 0.246) 3.836 4.464 ( 3.965 4.046 2.804) 6.321 4.479 ( 2.620 0.528 -0.220) 2.681 4.542 ( -2.470 4.317 -3.938) 6.344 4.566 ( -1.081 0.458 0.245) 1.199 4.588 ( -1.696 0.939 1.036) 2.198 4.613 ( -2.343 3.330 -1.610) 4.379 4.651 ( -2.903 -1.214 0.232) 3.155 4.671 ( -2.620 -0.748 -0.933) 2.880 4.700 ( -1.000 -1.483 0.994) 2.046 4.781 ( -1.075 0.016 1.525) 1.866 4.819 ( -0.545 -2.268 2.927) 3.743 4.861 ( -2.496 3.809 -0.841) 4.631 4.920 ( -3.846 2.848 1.367) 4.977 4.951 ( -5.156 1.298 0.570) 5.348 5.014 ( -3.670 -4.956 1.321) 6.307 5.111 ( -0.772 0.962 -3.280) 3.504 5.141 ( -4.709 5.535 -1.839) 7.497 5.183 ( 1.105 -6.223 1.279) 6.449 5.211 ( 1.826 2.547 2.819) 4.215 5.275 ( 2.652 -0.546 3.263) 4.240 5.339 ( -1.013 -5.119 0.664) 5.260 5.434 ( 0.314 1.996 -3.420) 3.973 5.451 ( -0.718 3.050 -0.846) 3.246 5.518 ( -0.847 5.502 -0.722) 5.613 5.588 ( -0.619 2.684 2.071) 3.446 5.623 ( -4.410 1.105 -2.750) 5.314 5.671 ( -2.012 0.041 -0.654) 2.116 5.682 ( -1.384 -1.368 -2.286) 3.002 5.729 ( -3.634 -7.144 -3.087) 8.590 5.803 ( -3.486 -2.069 -0.422) 4.075 5.858 ( -4.461 -5.452 -1.404) 7.183 5.938 ( -3.295 2.857 -0.568) 4.398 6.002 ( -1.768 -2.105 0.084) 2.750 6.235 ( -2.118 2.094 -0.461) 3.014 6.273 ( -0.910 2.548 1.076) 2.912 6.301 ( -0.797 -1.809 -1.015) 2.222 6.352 ( 0.372 -3.074 1.984) 3.677 6.811 ( -0.978 4.674 0.159) 4.778 6.913 ( -0.264 -4.154 0.252) 4.170 7.134 ( -0.494 2.230 0.723) 2.396 7.190 ( 0.055 -2.701 -0.410) 2.733 7.457 ( -0.011 0.951 1.847) 2.077 7.471 ( -0.337 -0.343 2.969) 3.008 7.535 ( -3.388 1.396 0.117) 3.666 7.542 ( -3.267 0.536 0.100) 3.313 7.713 ( -1.400 0.082 -1.052) 1.753 7.738 ( -1.272 -2.022 -0.831) 2.529 8.031 ( 1.211 2.188 -0.288) 2.517 8.063 ( 2.170 -0.637 -0.504) 2.317 8.600 ( 1.753 1.128 -0.454) 2.134 8.649 ( -0.151 -3.660 -1.047) 3.810 8.936 ( -1.089 4.198 -0.554) 4.373 8.998 ( -0.746 -1.751 -0.741) 2.042 9.146 ( -0.166 3.673 -1.788) 4.088 9.216 ( -1.828 -2.687 -0.529) 3.293 9.329 ( 0.214 0.929 -1.017) 1.394 9.385 ( -1.100 -4.296 2.811) 5.251 9.475 ( -0.519 -0.855 -2.478) 2.673 9.508 ( -0.107 -3.553 -1.274) 3.776 9.557 ( 0.253 1.060 2.793) 2.998 9.583 ( 0.229 -0.904 2.083) 2.282 9.746 ( 0.133 6.348 1.494) 6.523 9.802 ( -3.584 3.838 1.713) 5.524 9.835 ( -2.014 4.026 0.777) 4.569 9.901 ( -0.079 -1.069 1.378) 1.746 9.987 ( -0.391 -0.319 -4.724) 4.751 10.062 ( 0.003 -5.328 -2.159) 5.748 10.269 ( 0.785 2.652 1.259) 3.038 10.326 ( 0.059 -2.346 1.388) 2.726 10.944 ( 1.247 2.953 8.213) 8.816 11.020 ( 1.484 -3.566 0.991) 3.987 11.197 ( 3.375 0.103 -1.988) 3.919 11.229 ( 2.634 -2.408 -3.166) 4.771 11.404 ( 4.293 1.009 -4.804) 6.521 11.419 ( 4.360 -0.211 -5.853) 7.302 11.477 ( -0.511 4.510 4.058) 6.088 11.552 ( -3.923 -2.318 3.245) 5.594 11.887 ( 0.835 1.090 0.175) 1.384 11.926 ( 1.725 -2.184 -0.466) 2.821 12.281 ( -1.241 1.896 0.059) 2.266 12.319 ( -0.996 -1.425 -0.004) 1.738 13.870 ( -0.931 1.726 0.232) 1.975 13.914 ( -2.634 -2.102 -0.888) 3.484 14.020 ( 0.241 0.684 0.224) 0.759 14.030 ( -0.427 -0.283 1.303) 1.400 14.689 ( 1.249 1.430 -0.773) 2.050 14.733 ( 1.321 -2.620 -0.262) 2.946 14.956 ( 1.618 4.005 -0.267) 4.328 15.035 ( 0.084 -3.020 0.103) 3.023 15.691 ( 0.021 0.276 0.243) 0.369 15.698 ( -0.343 -0.393 0.992) 1.121 16.036 ( -0.869 0.592 -0.297) 1.093 16.048 ( -1.279 -0.445 0.478) 1.436 18.635 ( -1.597 1.280 0.324) 2.072 18.665 ( -2.140 -1.076 0.258) 2.409 18.740 ( -4.182 2.995 1.056) 5.251 18.805 ( -7.199 -2.562 -0.057) 7.642 20.508 ( -0.698 0.380 -0.388) 0.884 20.512 ( -0.519 0.075 -0.626) 0.816 20.520 ( -0.091 0.163 -0.970) 0.988 20.536 ( 0.069 -0.973 0.367) 1.042 20.840 ( 3.373 2.801 -1.408) 4.605 20.907 ( 1.548 -3.146 -1.627) 3.865 21.024 ( 3.360 2.046 -1.207) 4.115 21.078 ( 1.265 -2.254 -0.436) 2.621 21.119 ( -0.092 1.697 1.133) 2.043 21.145 ( 1.158 -1.111 0.607) 1.716 21.284 ( 0.403 2.120 -0.435) 2.201 21.330 ( -2.061 -1.989 2.476) 3.786 21.430 ( 0.168 0.176 -0.164) 0.294 21.450 ( 0.434 -1.807 -0.622) 1.960 21.496 ( 0.207 2.342 0.886) 2.512 21.566 ( 1.557 -3.856 1.758) 4.515 21.669 ( 1.733 6.537 -2.495) 7.208 21.765 ( 1.952 -2.226 -1.471) 3.306 21.867 ( 1.721 2.143 2.430) 3.669 21.922 ( 2.224 -2.051 2.468) 3.904 22.016 ( 2.144 1.220 1.218) 2.752 22.085 ( -0.483 -5.790 -1.246) 5.942 22.409 ( -2.752 5.251 -1.178) 6.045 22.488 ( -3.596 -2.093 -0.720) 4.223 ======================= Grid point 13 (10/42) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 0.496 0.000) 0.496 1.519 ( 0.000 0.058 0.000) 0.058 1.652 ( -0.000 0.774 0.000) 0.774 1.669 ( 0.000 -1.118 0.000) 1.118 1.830 ( -0.000 -0.246 0.000) 0.246 1.854 ( 0.000 -2.363 0.000) 2.363 1.943 ( 0.000 7.108 0.000) 7.108 2.021 ( -0.000 1.147 -0.000) 1.147 2.164 ( 0.000 -1.809 0.000) 1.809 2.181 ( 0.000 -5.181 0.000) 5.181 2.396 ( 0.000 5.489 -0.000) 5.489 2.429 ( 0.000 2.721 0.000) 2.721 2.496 ( 0.000 -1.572 0.000) 1.572 2.537 ( -0.000 -4.563 0.000) 4.563 2.573 ( 0.000 0.423 0.000) 0.423 2.615 ( 0.000 -1.533 0.000) 1.533 2.694 ( 0.000 3.313 -0.000) 3.313 2.728 ( 0.000 5.273 0.000) 5.273 2.760 ( 0.000 -1.454 0.000) 1.454 2.793 ( 0.000 4.018 0.000) 4.018 2.835 ( 0.000 -3.905 0.000) 3.905 2.867 ( -0.000 3.983 0.000) 3.983 2.928 ( 0.000 -0.664 -0.000) 0.664 2.959 ( 0.000 0.272 0.000) 0.272 2.979 ( -0.000 -10.482 0.000) 10.482 3.017 ( 0.000 -4.405 0.000) 4.405 3.038 ( 0.000 0.608 -0.000) 0.608 3.044 ( -0.000 3.869 -0.000) 3.869 3.071 ( -0.000 0.238 0.000) 0.238 3.145 ( 0.000 -4.726 0.000) 4.726 3.172 ( 0.000 2.979 -0.000) 2.979 3.201 ( 0.000 3.381 0.000) 3.381 3.235 ( 0.000 -2.099 0.000) 2.099 3.274 ( 0.000 0.825 0.000) 0.825 3.380 ( 0.000 5.631 -0.000) 5.631 3.400 ( -0.000 0.639 0.000) 0.639 3.437 ( -0.000 1.995 -0.000) 1.995 3.453 ( 0.000 -0.188 0.000) 0.188 3.510 ( 0.000 -5.547 -0.000) 5.547 3.544 ( 0.000 -2.981 0.000) 2.981 3.554 ( -0.000 -1.884 -0.000) 1.884 3.646 ( 0.000 1.915 -0.000) 1.915 3.663 ( 0.000 0.166 0.000) 0.166 3.677 ( 0.000 -9.697 0.000) 9.697 3.777 ( -0.000 0.071 -0.000) 0.071 3.781 ( 0.000 0.078 0.000) 0.078 3.943 ( -0.000 2.978 -0.000) 2.978 3.952 ( -0.000 3.604 -0.000) 3.604 3.959 ( 0.000 -1.809 0.000) 1.809 4.050 ( 0.000 2.458 0.000) 2.458 4.076 ( 0.000 -5.343 0.000) 5.343 4.134 ( 0.000 -2.251 -0.000) 2.251 4.149 ( -0.000 2.739 0.000) 2.739 4.197 ( 0.000 -0.591 0.000) 0.591 4.265 ( -0.000 2.042 0.000) 2.042 4.310 ( 0.000 -2.961 0.000) 2.961 4.365 ( 0.000 -1.809 0.000) 1.809 4.379 ( 0.000 -1.849 -0.000) 1.849 4.447 ( 0.000 -0.255 0.000) 0.255 4.478 ( -0.000 -0.603 0.000) 0.603 4.504 ( 0.000 2.811 0.000) 2.811 4.531 ( 0.000 0.831 -0.000) 0.831 4.542 ( 0.000 2.451 0.000) 2.451 4.560 ( 0.000 0.668 0.000) 0.668 4.602 ( 0.000 0.324 -0.000) 0.324 4.616 ( -0.000 -0.402 0.000) 0.402 4.651 ( -0.000 3.657 0.000) 3.657 4.675 ( 0.000 4.996 -0.000) 4.996 4.766 ( 0.000 6.107 0.000) 6.107 4.815 ( 0.000 -0.840 0.000) 0.840 4.835 ( 0.000 -2.343 -0.000) 2.343 4.899 ( -0.000 0.536 0.000) 0.536 4.903 ( 0.000 2.639 -0.000) 2.639 4.957 ( -0.000 -5.929 0.000) 5.929 5.035 ( -0.000 8.799 0.000) 8.799 5.120 ( 0.000 -0.242 -0.000) 0.242 5.207 ( -0.000 -6.418 0.000) 6.418 5.250 ( 0.000 -4.385 -0.000) 4.385 5.334 ( 0.000 0.686 0.000) 0.686 5.345 ( 0.000 0.491 0.000) 0.491 5.405 ( 0.000 0.252 0.000) 0.252 5.406 ( -0.000 5.628 -0.000) 5.628 5.509 ( 0.000 3.176 -0.000) 3.176 5.553 ( 0.000 -0.310 0.000) 0.310 5.600 ( 0.000 -1.514 0.000) 1.514 5.636 ( 0.000 -4.936 0.000) 4.936 5.650 ( 0.000 0.543 0.000) 0.543 5.655 ( -0.000 -0.617 -0.000) 0.617 5.765 ( 0.000 -2.641 0.000) 2.641 5.806 ( 0.000 -4.968 0.000) 4.968 5.907 ( 0.000 4.256 0.000) 4.256 5.984 ( 0.000 -2.529 0.000) 2.529 6.213 ( 0.000 3.288 0.000) 3.288 6.269 ( 0.000 4.769 0.000) 4.769 6.291 ( 0.000 -3.432 0.000) 3.432 6.367 ( 0.000 -4.238 0.000) 4.238 6.803 ( 0.000 5.262 0.000) 5.262 6.911 ( 0.000 -4.156 0.000) 4.156 7.131 ( 0.000 2.214 0.000) 2.214 7.188 ( 0.000 -2.863 0.000) 2.863 7.466 ( 0.000 0.703 0.000) 0.703 7.476 ( 0.000 -0.381 0.000) 0.381 7.498 ( 0.000 1.633 0.000) 1.633 7.511 ( 0.000 0.400 -0.000) 0.400 7.696 ( 0.000 0.080 0.000) 0.080 7.721 ( 0.000 -1.819 0.000) 1.819 8.043 ( 0.000 2.538 0.000) 2.538 8.084 ( 0.000 -1.119 0.000) 1.119 8.625 ( 0.000 -0.531 0.000) 0.531 8.634 ( 0.000 -1.533 0.000) 1.533 8.922 ( 0.000 3.946 0.000) 3.946 8.989 ( 0.000 -1.932 0.000) 1.932 9.138 ( 0.000 3.370 0.000) 3.370 9.194 ( 0.000 -1.978 0.000) 1.978 9.328 ( 0.000 0.711 0.000) 0.711 9.382 ( 0.000 -4.271 0.000) 4.271 9.463 ( 0.000 -1.231 0.000) 1.231 9.508 ( 0.000 -5.083 -0.000) 5.083 9.569 ( 0.000 0.945 0.000) 0.945 9.593 ( 0.000 -0.713 0.000) 0.713 9.761 ( -0.000 5.076 -0.000) 5.076 9.763 ( 0.000 3.612 0.000) 3.612 9.818 ( 0.000 6.501 0.000) 6.501 9.923 ( -0.000 -3.558 -0.000) 3.558 9.951 ( 0.000 2.214 0.000) 2.214 10.051 ( 0.000 -5.317 -0.000) 5.317 10.283 ( 0.000 2.224 0.000) 2.224 10.333 ( 0.000 -2.092 0.000) 2.092 10.994 ( 0.000 2.051 0.000) 2.051 11.036 ( 0.000 -1.307 0.000) 1.307 11.231 ( 0.000 -1.221 0.000) 1.221 11.235 ( 0.000 -2.147 -0.000) 2.147 11.424 ( 0.000 0.887 -0.000) 0.887 11.441 ( -0.000 -0.348 0.000) 0.348 11.495 ( 0.000 2.269 0.000) 2.269 11.523 ( 0.000 -0.124 -0.000) 0.124 11.896 ( 0.000 1.418 0.000) 1.418 11.942 ( 0.000 -2.625 0.000) 2.625 12.268 ( 0.000 2.073 0.000) 2.073 12.308 ( 0.000 -1.454 0.000) 1.454 13.866 ( -0.000 0.336 -0.000) 0.336 13.879 ( 0.000 -0.807 0.000) 0.807 14.024 ( -0.000 0.445 0.000) 0.445 14.030 ( 0.000 -0.137 -0.000) 0.137 14.699 ( 0.000 1.520 0.000) 1.520 14.746 ( 0.000 -2.781 0.000) 2.781 14.971 ( 0.000 3.529 0.000) 3.529 15.035 ( 0.000 -2.242 0.000) 2.242 15.692 ( 0.000 0.262 0.000) 0.262 15.699 ( 0.000 -0.317 0.000) 0.317 16.027 ( 0.000 0.430 0.000) 0.430 16.036 ( 0.000 -0.402 0.000) 0.402 18.620 ( 0.000 1.015 0.000) 1.015 18.648 ( 0.000 -1.425 0.000) 1.425 18.715 ( 0.000 0.340 0.000) 0.340 18.717 ( -0.000 0.286 -0.000) 0.286 20.494 ( 0.000 0.034 0.000) 0.034 20.501 ( 0.000 -0.520 0.000) 0.520 20.525 ( 0.000 0.631 -0.000) 0.631 20.537 ( 0.000 -0.492 0.000) 0.492 20.875 ( 0.000 1.479 0.000) 1.479 20.908 ( 0.000 -1.529 0.000) 1.529 21.060 ( 0.000 1.024 -0.000) 1.024 21.083 ( 0.000 -0.078 0.000) 0.078 21.122 ( 0.000 2.181 0.000) 2.181 21.162 ( 0.000 -2.296 0.000) 2.296 21.290 ( -0.000 0.842 0.000) 0.842 21.314 ( 0.000 -1.608 -0.000) 1.608 21.431 ( 0.000 0.072 0.000) 0.072 21.452 ( 0.000 -2.152 0.000) 2.152 21.502 ( 0.000 3.268 0.000) 3.268 21.589 ( 0.000 -4.626 0.000) 4.626 21.678 ( 0.000 7.079 -0.000) 7.079 21.781 ( 0.000 -2.220 0.000) 2.220 21.896 ( 0.000 1.936 0.000) 1.936 21.957 ( 0.000 -2.465 0.000) 2.465 22.052 ( 0.000 -1.966 0.000) 1.966 22.064 ( 0.000 -2.104 0.000) 2.104 22.375 ( 0.000 4.839 0.000) 4.839 22.444 ( 0.000 -1.455 0.000) 1.455 ======================= Grid point 27 (11/42) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 3.830 0.000 22.677) 22.998 0.514 ( 16.542 0.000 25.487) 30.385 0.978 ( -5.121 0.000 42.368) 42.676 1.266 ( -0.687 0.000 13.740) 13.757 1.316 ( -8.791 0.000 8.668) 12.346 1.559 ( -2.745 0.000 3.614) 4.538 1.677 ( -4.556 0.000 9.827) 10.832 1.721 ( -3.176 0.000 17.133) 17.424 1.764 ( -2.153 0.000 6.205) 6.567 1.946 ( 2.411 0.000 1.963) 3.109 1.988 ( -10.546 0.000 -8.544) 13.573 2.136 ( -10.557 0.000 -6.977) 12.655 2.335 ( -6.025 0.000 -2.307) 6.452 2.401 ( 3.470 0.000 -4.260) 5.495 2.468 ( 0.875 0.000 -3.656) 3.759 2.579 ( 1.153 0.000 2.984) 3.199 2.580 ( 0.530 0.000 -4.021) 4.056 2.690 ( 0.741 0.000 -0.837) 1.118 2.779 ( 2.884 0.000 1.086) 3.081 2.781 ( 1.252 0.000 3.064) 3.310 2.874 ( 0.750 0.000 0.651) 0.993 2.892 ( 1.372 0.000 2.186) 2.581 2.956 ( 3.222 0.000 4.167) 5.267 2.961 ( -1.050 0.000 -1.856) 2.132 2.985 ( 3.271 0.000 -3.756) 4.980 3.045 ( -2.474 0.000 1.907) 3.124 3.115 ( 4.513 0.000 -2.248) 5.042 3.179 ( 1.581 0.000 0.931) 1.835 3.190 ( -2.271 0.000 1.163) 2.552 3.218 ( 3.090 0.000 -2.138) 3.758 3.237 ( -2.476 0.000 -3.430) 4.230 3.276 ( 4.596 0.000 -4.085) 6.149 3.284 ( -5.507 0.000 1.426) 5.688 3.304 ( 1.218 0.000 -4.300) 4.469 3.344 ( 3.147 0.000 -0.069) 3.148 3.385 ( -2.377 0.000 0.031) 2.377 3.394 ( -1.090 0.000 -4.418) 4.550 3.432 ( 3.456 0.000 -1.929) 3.958 3.473 ( -7.281 0.000 2.821) 7.809 3.536 ( -4.532 0.000 4.678) 6.513 3.545 ( -2.984 0.000 -1.348) 3.275 3.572 ( 4.185 0.000 5.083) 6.584 3.637 ( -1.892 0.000 1.690) 2.537 3.694 ( 6.509 0.000 -0.586) 6.535 3.698 ( 2.644 0.000 1.408) 2.995 3.762 ( -1.226 0.000 -0.811) 1.470 3.828 ( 1.634 0.000 5.081) 5.338 3.871 ( -3.729 0.000 0.864) 3.827 3.934 ( -1.128 0.000 0.128) 1.135 3.979 ( -2.596 0.000 -5.406) 5.997 4.092 ( 2.123 0.000 -2.313) 3.139 4.096 ( -0.784 0.000 -2.974) 3.076 4.160 ( 2.752 0.000 4.806) 5.538 4.174 ( -3.213 0.000 1.907) 3.736 4.273 ( -2.127 0.000 5.372) 5.778 4.282 ( -4.902 0.000 -4.592) 6.717 4.339 ( 3.568 0.000 2.533) 4.376 4.342 ( 6.644 0.000 -6.503) 9.297 4.411 ( -8.088 0.000 -3.242) 8.714 4.421 ( -3.532 0.000 -6.757) 7.625 4.501 ( -8.840 0.000 -1.098) 8.908 4.611 ( 0.012 0.000 -5.682) 5.682 4.649 ( 2.650 0.000 2.283) 3.498 4.662 ( 5.217 0.000 -0.286) 5.225 4.678 ( 1.914 0.000 -1.227) 2.274 4.689 ( -1.298 0.000 -1.640) 2.091 4.751 ( -5.929 0.000 3.509) 6.889 4.783 ( -0.840 0.000 -3.182) 3.291 4.839 ( -1.417 0.000 1.905) 2.375 4.849 ( 3.725 0.000 -2.256) 4.355 4.948 ( 2.213 0.000 -3.462) 4.109 4.975 ( -1.538 0.000 -0.309) 1.569 5.033 ( 3.219 0.000 4.582) 5.599 5.062 ( 1.560 0.000 -0.803) 1.755 5.112 ( -1.086 0.000 1.768) 2.075 5.162 ( 1.801 0.000 0.120) 1.805 5.193 ( -4.550 0.000 0.911) 4.641 5.208 ( 0.105 0.000 2.717) 2.719 5.301 ( -1.062 0.000 5.515) 5.616 5.322 ( 0.611 0.000 3.686) 3.736 5.397 ( 6.762 0.000 -5.875) 8.957 5.422 ( -2.534 0.000 0.198) 2.542 5.502 ( -2.056 0.000 1.075) 2.320 5.554 ( 1.174 0.000 0.960) 1.516 5.652 ( 24.154 0.000 1.781) 24.220 5.674 ( 1.603 0.000 -11.365) 11.478 5.809 ( 0.950 0.000 -3.830) 3.946 5.813 ( -3.566 0.000 -1.024) 3.710 5.969 ( -1.814 0.000 -5.685) 5.968 5.993 ( -0.514 0.000 -1.630) 1.709 6.013 ( 3.829 0.000 -2.195) 4.413 6.020 ( 2.487 0.000 -1.719) 3.023 6.294 ( 1.607 0.000 0.527) 1.691 6.311 ( -7.428 0.000 1.252) 7.533 6.353 ( -0.586 0.000 1.980) 2.065 6.391 ( 0.906 0.000 2.485) 2.645 6.922 ( 1.275 0.000 -2.367) 2.689 6.993 ( -0.182 0.000 1.400) 1.412 7.064 ( 3.936 0.000 -5.614) 6.857 7.164 ( -1.166 0.000 -1.975) 2.293 7.406 ( 1.319 0.000 2.455) 2.787 7.442 ( 0.003 0.000 1.465) 1.465 7.614 ( 1.783 0.000 -4.215) 4.577 7.685 ( 2.122 0.000 -4.428) 4.911 7.878 ( 0.017 0.000 0.080) 0.082 7.879 ( -1.294 0.000 -0.445) 1.368 7.903 ( -0.374 0.000 1.043) 1.108 7.981 ( 0.304 0.000 -0.558) 0.636 8.600 ( -4.430 0.000 9.917) 10.861 8.665 ( 0.573 0.000 10.111) 10.127 8.824 ( -0.722 0.000 4.893) 4.945 9.117 ( -0.011 0.000 -0.963) 0.963 9.176 ( 2.127 0.000 -2.440) 3.236 9.330 ( -0.862 0.000 -0.003) 0.862 9.360 ( 2.224 0.000 -4.906) 5.386 9.426 ( 3.199 0.000 -5.784) 6.609 9.489 ( 2.867 0.000 -9.090) 9.532 9.545 ( -1.231 0.000 -2.625) 2.900 9.622 ( -0.558 0.000 0.902) 1.060 9.685 ( -0.315 0.000 1.510) 1.543 9.731 ( -1.633 0.000 1.998) 2.580 9.782 ( 6.555 0.000 4.811) 8.131 9.884 ( -1.573 0.000 5.512) 5.732 10.098 ( 0.647 0.000 -1.754) 1.869 10.134 ( -3.294 0.000 6.946) 7.687 10.146 ( 0.444 0.000 -3.412) 3.440 10.315 ( -0.367 0.000 -3.668) 3.687 10.543 ( 4.996 0.000 -1.904) 5.347 10.813 ( -1.145 0.000 6.707) 6.804 10.919 ( 4.064 0.000 -1.239) 4.249 11.017 ( 1.186 0.000 -10.591) 10.658 11.055 ( -4.103 0.000 4.188) 5.863 11.219 ( 0.258 0.000 7.673) 7.678 11.305 ( 5.758 0.000 -8.878) 10.582 11.583 ( -0.204 0.000 -2.851) 2.858 11.655 ( -11.250 0.000 -4.738) 12.207 11.873 ( -8.212 0.000 10.816) 13.580 11.976 ( -18.016 0.000 8.442) 19.896 12.320 ( 0.520 0.000 -2.290) 2.349 12.336 ( 1.756 0.000 -2.482) 3.040 13.877 ( -0.100 0.000 1.948) 1.951 13.971 ( -0.485 0.000 -0.341) 0.593 14.041 ( 0.225 0.000 2.541) 2.551 14.217 ( -1.442 0.000 -1.593) 2.149 14.577 ( 0.613 0.000 1.210) 1.356 14.662 ( 12.821 0.000 -0.901) 12.853 14.698 ( -0.865 0.000 0.087) 0.869 14.720 ( 1.405 0.000 -0.345) 1.447 15.724 ( -1.052 0.000 4.000) 4.136 16.033 ( 1.141 0.000 -4.121) 4.276 16.134 ( -5.512 0.000 -0.469) 5.532 16.137 ( 0.691 0.000 -0.125) 0.703 18.715 ( 0.106 0.000 1.159) 1.164 18.715 ( -0.018 0.000 1.770) 1.770 19.391 ( 2.900 0.000 -3.557) 4.589 19.436 ( 1.590 0.000 -6.316) 6.513 20.438 ( 1.532 0.000 2.281) 2.747 20.523 ( 17.366 0.000 1.377) 17.421 20.587 ( 0.722 0.000 -0.197) 0.749 20.633 ( 0.386 0.000 -0.250) 0.460 20.641 ( 1.177 0.000 -2.125) 2.429 20.680 ( 0.223 0.000 -2.429) 2.440 20.788 ( -10.238 0.000 1.689) 10.377 20.794 ( -13.003 0.000 0.310) 13.007 21.021 ( -1.309 0.000 0.237) 1.330 21.094 ( -0.107 0.000 3.413) 3.415 21.107 ( 3.920 0.000 -2.205) 4.497 21.293 ( 2.832 0.000 -3.809) 4.746 21.451 ( -2.938 0.000 -0.760) 3.035 21.452 ( -0.925 0.000 -0.746) 1.189 21.480 ( 0.567 0.000 0.112) 0.578 21.488 ( -0.443 0.000 0.071) 0.449 21.547 ( -6.523 0.000 5.446) 8.497 21.700 ( 2.312 0.000 0.262) 2.327 21.767 ( -3.914 0.000 0.782) 3.992 21.785 ( 2.158 0.000 0.315) 2.181 21.920 ( -0.658 0.000 8.013) 8.040 22.372 ( 1.259 0.000 -3.777) 3.981 22.608 ( -12.898 0.000 -0.874) 12.928 22.671 ( 2.468 0.000 -2.606) 3.589 ======================= Grid point 28 (12/42) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 14.127 0.000 18.065) 22.933 0.935 ( 5.215 0.000 30.535) 30.977 1.217 ( -0.187 0.000 -3.482) 3.487 1.470 ( 4.662 0.000 18.628) 19.202 1.605 ( 4.629 0.000 0.321) 4.640 1.624 ( 32.301 0.000 30.187) 44.211 1.668 ( 2.184 0.000 -15.592) 15.744 1.772 ( 0.225 0.000 9.910) 9.913 1.884 ( 7.652 0.000 15.153) 16.976 1.892 ( 2.667 0.000 3.992) 4.801 1.940 ( -1.626 0.000 -2.140) 2.687 2.009 ( 0.876 0.000 2.206) 2.374 2.322 ( 9.883 0.000 -6.869) 12.035 2.443 ( 4.376 0.000 -8.727) 9.762 2.465 ( 1.112 0.000 -3.919) 4.074 2.545 ( -1.696 0.000 -1.361) 2.174 2.627 ( 0.880 0.000 1.803) 2.007 2.685 ( -1.227 0.000 1.381) 1.847 2.776 ( -2.623 0.000 -3.272) 4.193 2.803 ( 0.965 0.000 0.819) 1.265 2.866 ( -3.387 0.000 0.663) 3.451 2.921 ( -2.881 0.000 -1.572) 3.282 2.939 ( 1.596 0.000 0.428) 1.653 2.975 ( 0.829 0.000 3.550) 3.645 3.013 ( -1.298 0.000 -0.960) 1.614 3.076 ( -8.885 0.000 -0.581) 8.904 3.119 ( 2.846 0.000 3.058) 4.178 3.162 ( 8.653 0.000 3.349) 9.279 3.164 ( -1.886 0.000 -1.579) 2.460 3.232 ( 2.190 0.000 -2.325) 3.194 3.241 ( -1.781 0.000 -1.921) 2.619 3.283 ( 1.222 0.000 -4.238) 4.411 3.328 ( 4.048 0.000 5.244) 6.625 3.329 ( -5.375 0.000 0.697) 5.421 3.343 ( 4.507 0.000 4.737) 6.539 3.395 ( 3.281 0.000 -1.011) 3.434 3.408 ( -2.321 0.000 -6.694) 7.085 3.441 ( 6.066 0.000 -4.374) 7.478 3.489 ( -3.709 0.000 8.166) 8.969 3.511 ( 4.370 0.000 -3.183) 5.406 3.525 ( 6.663 0.000 1.316) 6.792 3.636 ( -1.886 0.000 2.072) 2.802 3.687 ( -0.724 0.000 -5.321) 5.370 3.707 ( -5.620 0.000 5.962) 8.193 3.727 ( 3.252 0.000 7.503) 8.178 3.807 ( 1.636 0.000 1.910) 2.514 3.852 ( -0.078 0.000 2.700) 2.701 3.864 ( -1.551 0.000 3.644) 3.961 3.937 ( 0.164 0.000 5.450) 5.453 3.951 ( 3.319 0.000 -1.597) 3.683 4.013 ( -5.319 0.000 -2.259) 5.779 4.023 ( -1.501 0.000 -8.843) 8.970 4.089 ( -5.947 0.000 -4.716) 7.590 4.094 ( -5.918 0.000 -2.155) 6.298 4.192 ( -4.989 0.000 -1.612) 5.243 4.260 ( -5.871 0.000 -7.116) 9.225 4.286 ( -3.169 0.000 -1.212) 3.393 4.303 ( 0.624 0.000 3.790) 3.841 4.307 ( -2.044 0.000 -4.076) 4.560 4.411 ( 1.980 0.000 -0.785) 2.130 4.450 ( 5.451 0.000 2.926) 6.187 4.563 ( -1.357 0.000 -3.168) 3.447 4.602 ( -2.597 0.000 -3.679) 4.504 4.639 ( -2.936 0.000 -0.173) 2.941 4.672 ( -4.176 0.000 1.095) 4.317 4.694 ( -3.192 0.000 3.131) 4.471 4.749 ( -0.141 0.000 -1.022) 1.032 4.785 ( 3.824 0.000 -0.576) 3.867 4.897 ( 1.551 0.000 -0.630) 1.674 4.901 ( 3.661 0.000 -0.645) 3.717 4.914 ( -2.640 0.000 1.536) 3.054 4.969 ( 3.932 0.000 -3.863) 5.512 5.085 ( -2.201 0.000 2.323) 3.200 5.114 ( 1.505 0.000 2.305) 2.753 5.141 ( -1.050 0.000 -0.040) 1.050 5.159 ( -1.133 0.000 2.901) 3.114 5.215 ( 0.226 0.000 1.122) 1.145 5.217 ( 3.187 0.000 -0.850) 3.298 5.307 ( -5.742 0.000 -3.262) 6.604 5.310 ( 1.906 0.000 1.925) 2.709 5.365 ( 0.396 0.000 3.105) 3.130 5.416 ( -0.413 0.000 3.076) 3.104 5.477 ( -0.283 0.000 1.510) 1.536 5.540 ( -3.172 0.000 0.240) 3.181 5.644 ( 2.670 0.000 -8.759) 9.157 5.763 ( -0.737 0.000 -3.388) 3.468 5.788 ( 1.582 0.000 -7.539) 7.703 5.843 ( -4.933 0.000 -4.834) 6.907 5.896 ( 1.529 0.000 -5.600) 5.805 5.970 ( -1.419 0.000 -0.109) 1.423 6.048 ( 0.895 0.000 -2.127) 2.308 6.066 ( 3.284 0.000 -6.098) 6.926 6.276 ( 0.291 0.000 -1.502) 1.530 6.310 ( -1.657 0.000 1.748) 2.409 6.360 ( 0.986 0.000 2.160) 2.375 6.409 ( -1.269 0.000 1.821) 2.220 6.880 ( -2.812 0.000 -2.666) 3.875 6.993 ( -0.807 0.000 1.549) 1.747 7.089 ( 2.484 0.000 -6.312) 6.783 7.144 ( 0.658 0.000 -1.197) 1.366 7.445 ( -0.005 0.000 1.478) 1.478 7.471 ( 1.748 0.000 3.942) 4.312 7.599 ( -0.139 0.000 -4.340) 4.342 7.659 ( -1.542 0.000 -5.454) 5.668 7.843 ( -1.884 0.000 -0.355) 1.918 7.868 ( -3.668 0.000 1.868) 4.117 7.925 ( 3.557 0.000 -0.063) 3.557 7.979 ( 0.565 0.000 -1.248) 1.370 8.607 ( -2.141 0.000 9.044) 9.294 8.741 ( 0.710 0.000 4.300) 4.359 8.855 ( 0.016 0.000 4.898) 4.898 9.081 ( -2.135 0.000 -2.983) 3.668 9.169 ( -1.687 0.000 -0.490) 1.757 9.320 ( -0.380 0.000 0.735) 0.828 9.338 ( -0.901 0.000 -3.957) 4.058 9.425 ( 1.777 0.000 -7.210) 7.426 9.502 ( -0.333 0.000 -4.518) 4.530 9.502 ( 3.550 0.000 -4.545) 5.767 9.604 ( -2.087 0.000 1.032) 2.328 9.622 ( -4.798 0.000 0.708) 4.850 9.730 ( -0.632 0.000 2.459) 2.539 9.872 ( -1.427 0.000 3.372) 3.662 9.908 ( 0.113 0.000 3.698) 3.699 10.060 ( -2.201 0.000 -1.907) 2.912 10.119 ( -8.110 0.000 2.320) 8.436 10.135 ( -2.258 0.000 5.584) 6.024 10.170 ( -2.599 0.000 1.375) 2.940 10.480 ( -6.202 0.000 0.527) 6.225 10.865 ( 3.339 0.000 1.582) 3.695 10.987 ( 4.165 0.000 -10.210) 11.027 10.997 ( 2.004 0.000 2.909) 3.532 11.065 ( 1.430 0.000 6.379) 6.538 11.242 ( -2.445 0.000 -1.412) 2.823 11.311 ( 2.300 0.000 9.450) 9.726 11.421 ( -1.046 0.000 -0.121) 1.053 11.620 ( 4.390 0.000 -9.120) 10.122 11.873 ( -0.352 0.000 10.442) 10.448 11.922 ( -3.379 0.000 7.885) 8.579 12.305 ( -0.488 0.000 -2.099) 2.155 12.345 ( 0.672 0.000 -2.243) 2.341 13.886 ( -0.655 0.000 2.314) 2.405 13.973 ( 0.798 0.000 -0.610) 1.004 14.067 ( -0.056 0.000 3.235) 3.236 14.129 ( -5.085 0.000 -2.049) 5.482 14.606 ( 1.219 0.000 -0.179) 1.232 14.711 ( 1.905 0.000 0.903) 2.108 14.729 ( 3.552 0.000 -2.583) 4.392 14.922 ( 10.113 0.000 -8.120) 12.970 15.728 ( -1.366 0.000 3.929) 4.159 15.938 ( -11.152 0.000 7.571) 13.479 16.019 ( 0.506 0.000 -4.088) 4.119 16.130 ( -1.379 0.000 0.197) 1.393 18.708 ( -1.661 0.000 1.213) 2.057 18.714 ( -1.357 0.000 1.636) 2.125 19.136 ( -16.087 0.000 3.826) 16.536 19.285 ( -10.721 0.000 -5.337) 11.976 20.494 ( 1.382 0.000 2.750) 3.077 20.554 ( -2.834 0.000 -1.545) 3.227 20.567 ( -2.182 0.000 0.427) 2.223 20.587 ( -4.710 0.000 -2.746) 5.452 20.639 ( 2.495 0.000 -1.969) 3.178 20.798 ( 4.852 0.000 3.277) 5.855 20.829 ( 7.475 0.000 -0.436) 7.488 20.927 ( 15.768 0.000 -8.965) 18.139 21.012 ( 0.784 0.000 -0.318) 0.846 21.116 ( 0.139 0.000 2.224) 2.228 21.180 ( 2.204 0.000 0.747) 2.327 21.337 ( 4.699 0.000 -3.532) 5.879 21.412 ( 0.203 0.000 1.024) 1.044 21.441 ( 0.092 0.000 -0.267) 0.282 21.494 ( 0.726 0.000 -0.097) 0.732 21.502 ( 2.209 0.000 1.044) 2.443 21.535 ( -0.676 0.000 2.856) 2.935 21.712 ( -1.540 0.000 -0.679) 1.683 21.758 ( 2.812 0.000 1.265) 3.083 21.845 ( 2.914 0.000 1.965) 3.514 21.964 ( -0.319 0.000 6.838) 6.845 22.353 ( -0.276 0.000 -3.954) 3.963 22.363 ( -9.932 0.000 2.134) 10.159 22.668 ( -1.721 0.000 -1.217) 2.108 ======================= Grid point 29 (13/42) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 13.518 0.000 9.131) 16.313 1.232 ( 6.708 0.000 12.695) 14.359 1.292 ( 8.853 0.000 8.171) 12.047 1.603 ( 4.840 0.000 -9.956) 11.070 1.624 ( -2.255 0.000 19.866) 19.993 1.657 ( 3.399 0.000 -5.223) 6.231 1.911 ( 3.741 0.000 2.063) 4.272 2.031 ( 12.522 0.000 11.429) 16.953 2.042 ( 3.892 0.000 1.130) 4.053 2.155 ( 10.952 0.000 4.740) 11.934 2.201 ( 11.999 0.000 7.319) 14.055 2.357 ( 3.396 0.000 -0.504) 3.433 2.375 ( 7.667 0.000 7.174) 10.500 2.444 ( 3.349 0.000 -8.874) 9.485 2.565 ( 12.968 0.000 5.814) 14.211 2.611 ( 6.531 0.000 -4.062) 7.691 2.617 ( -0.982 0.000 0.250) 1.014 2.685 ( 0.116 0.000 2.979) 2.981 2.705 ( 3.138 0.000 -3.832) 4.953 2.804 ( -5.179 0.000 -2.318) 5.674 2.817 ( 1.104 0.000 1.951) 2.242 2.865 ( -2.939 0.000 0.513) 2.983 2.925 ( -1.536 0.000 5.550) 5.759 2.964 ( -2.137 0.000 1.997) 2.925 2.976 ( 0.159 0.000 3.733) 3.737 2.995 ( 0.120 0.000 -0.373) 0.392 3.100 ( -3.252 0.000 1.552) 3.604 3.181 ( 0.338 0.000 -4.267) 4.280 3.189 ( -6.488 0.000 2.308) 6.886 3.206 ( -5.294 0.000 0.101) 5.295 3.218 ( 1.448 0.000 -0.652) 1.588 3.288 ( -1.761 0.000 -1.529) 2.332 3.295 ( 0.511 0.000 2.141) 2.201 3.382 ( 3.920 0.000 0.568) 3.961 3.423 ( -5.772 0.000 1.539) 5.973 3.424 ( -2.272 0.000 -3.708) 4.348 3.447 ( -0.925 0.000 1.598) 1.846 3.506 ( 3.557 0.000 -3.015) 4.663 3.508 ( 5.205 0.000 4.603) 6.948 3.560 ( -5.463 0.000 1.606) 5.694 3.613 ( 2.281 0.000 0.196) 2.289 3.631 ( 2.664 0.000 3.655) 4.523 3.633 ( 5.583 0.000 2.113) 5.969 3.700 ( 4.303 0.000 -1.006) 4.419 3.748 ( -1.599 0.000 6.853) 7.037 3.825 ( 1.898 0.000 -5.385) 5.710 3.826 ( -10.348 0.000 2.268) 10.594 3.873 ( -0.234 0.000 -6.265) 6.269 3.923 ( -1.462 0.000 -5.653) 5.839 3.926 ( -2.123 0.000 -3.711) 4.275 3.965 ( 0.741 0.000 4.639) 4.697 3.978 ( 2.734 0.000 1.319) 3.036 4.046 ( 1.238 0.000 3.091) 3.330 4.053 ( 3.185 0.000 -0.386) 3.209 4.125 ( -0.379 0.000 0.888) 0.966 4.156 ( 3.578 0.000 -7.251) 8.086 4.237 ( 1.891 0.000 -4.777) 5.137 4.312 ( 6.152 0.000 -2.965) 6.829 4.352 ( 0.145 0.000 -2.723) 2.727 4.418 ( -1.033 0.000 5.332) 5.431 4.497 ( -1.091 0.000 -3.567) 3.730 4.513 ( -1.577 0.000 -3.900) 4.207 4.560 ( -1.046 0.000 4.620) 4.737 4.604 ( -1.356 0.000 -0.450) 1.429 4.628 ( -0.255 0.000 2.412) 2.425 4.648 ( -3.035 0.000 -2.417) 3.880 4.696 ( -4.394 0.000 1.122) 4.535 4.821 ( 1.584 0.000 0.969) 1.857 4.863 ( -1.756 0.000 -0.998) 2.019 4.924 ( 0.515 0.000 -1.663) 1.741 4.925 ( -2.131 0.000 0.594) 2.212 4.988 ( -3.883 0.000 -6.179) 7.298 5.004 ( -6.291 0.000 4.070) 7.493 5.079 ( -2.475 0.000 -0.480) 2.521 5.093 ( 1.552 0.000 2.244) 2.729 5.185 ( 0.271 0.000 0.220) 0.349 5.208 ( -3.243 0.000 -0.329) 3.260 5.253 ( 1.683 0.000 -1.356) 2.162 5.272 ( 0.961 0.000 1.806) 2.046 5.362 ( -5.630 0.000 0.992) 5.717 5.385 ( 0.518 0.000 0.817) 0.968 5.393 ( 5.124 0.000 -1.850) 5.448 5.487 ( -0.201 0.000 2.014) 2.024 5.503 ( -0.564 0.000 1.380) 1.491 5.639 ( -6.157 0.000 -8.051) 10.136 5.648 ( 2.723 0.000 -6.800) 7.325 5.760 ( -2.074 0.000 0.277) 2.093 5.763 ( 0.742 0.000 -6.194) 6.238 5.861 ( -1.350 0.000 -3.325) 3.589 5.923 ( -3.145 0.000 -0.047) 3.146 6.017 ( -1.754 0.000 -3.401) 3.827 6.021 ( -3.328 0.000 -7.066) 7.811 6.252 ( -1.131 0.000 -0.956) 1.481 6.281 ( -2.125 0.000 1.969) 2.897 6.363 ( -3.333 0.000 0.215) 3.340 6.407 ( 1.277 0.000 3.091) 3.344 6.802 ( -3.212 0.000 -0.964) 3.353 6.986 ( -1.045 0.000 1.678) 1.976 7.078 ( 0.886 0.000 -5.306) 5.380 7.162 ( 2.083 0.000 -2.770) 3.466 7.447 ( -0.308 0.000 0.350) 0.466 7.519 ( -0.064 0.000 2.518) 2.519 7.545 ( -2.059 0.000 -4.171) 4.652 7.567 ( -3.438 0.000 -4.637) 5.772 7.791 ( -3.368 0.000 2.098) 3.968 7.824 ( -2.408 0.000 3.658) 4.379 7.964 ( 1.416 0.000 -1.776) 2.271 8.021 ( 3.406 0.000 0.416) 3.431 8.637 ( -1.311 0.000 9.079) 9.173 8.761 ( -1.248 0.000 3.696) 3.901 8.884 ( -0.516 0.000 3.867) 3.901 9.014 ( -1.325 0.000 -3.614) 3.849 9.122 ( -2.899 0.000 1.915) 3.474 9.284 ( -1.589 0.000 -3.203) 3.576 9.326 ( 0.376 0.000 1.031) 1.098 9.412 ( 1.973 0.000 -6.809) 7.089 9.464 ( 0.204 0.000 -5.993) 5.996 9.539 ( -3.420 0.000 2.574) 4.280 9.562 ( -1.774 0.000 0.025) 1.774 9.564 ( 3.639 0.000 -1.328) 3.874 9.737 ( -0.199 0.000 1.206) 1.223 9.820 ( -4.734 0.000 3.964) 6.174 9.932 ( 0.061 0.000 2.393) 2.394 9.951 ( -8.860 0.000 4.752) 10.054 9.997 ( -2.104 0.000 -2.913) 3.594 10.116 ( -2.364 0.000 2.553) 3.479 10.213 ( 2.454 0.000 0.633) 2.535 10.391 ( -2.645 0.000 0.016) 2.645 10.932 ( 3.238 0.000 -4.211) 5.312 11.031 ( 6.532 0.000 -9.548) 11.569 11.048 ( -0.057 0.000 8.415) 8.415 11.177 ( 3.919 0.000 6.723) 7.782 11.248 ( 3.749 0.000 -4.916) 6.182 11.419 ( 1.408 0.000 9.193) 9.300 11.447 ( 2.114 0.000 2.038) 2.937 11.613 ( 0.911 0.000 -6.635) 6.697 11.908 ( -1.882 0.000 5.083) 5.420 11.953 ( 0.667 0.000 7.480) 7.510 12.269 ( -1.353 0.000 -2.437) 2.787 12.332 ( -0.195 0.000 -2.449) 2.457 13.884 ( -1.028 0.000 2.348) 2.563 13.985 ( 0.870 0.000 -0.906) 1.256 14.014 ( -4.907 0.000 -1.125) 5.035 14.077 ( -0.970 0.000 2.503) 2.684 14.631 ( 1.903 0.000 -0.595) 1.994 14.763 ( 1.780 0.000 1.726) 2.480 14.793 ( 4.596 0.000 -3.257) 5.633 14.999 ( 3.812 0.000 -6.251) 7.322 15.727 ( -1.438 0.000 3.656) 3.928 15.822 ( -6.032 0.000 6.343) 8.754 16.001 ( 0.493 0.000 -3.624) 3.657 16.091 ( -2.175 0.000 -0.613) 2.260 18.672 ( -2.491 0.000 0.919) 2.655 18.690 ( -1.593 0.000 0.680) 1.732 18.891 ( -10.897 0.000 2.409) 11.160 19.016 ( -11.563 0.000 -3.409) 12.055 20.503 ( -0.750 0.000 -1.882) 2.026 20.510 ( -1.341 0.000 -2.483) 2.823 20.519 ( -0.192 0.000 2.001) 2.010 20.556 ( -0.092 0.000 0.446) 0.456 20.704 ( 4.639 0.000 -0.681) 4.688 20.913 ( 4.503 0.000 1.089) 4.633 20.922 ( 1.649 0.000 -0.033) 1.649 21.061 ( 3.374 0.000 -0.830) 3.474 21.095 ( 7.272 0.000 -3.395) 8.025 21.138 ( 1.203 0.000 1.844) 2.202 21.184 ( -1.652 0.000 1.257) 2.076 21.391 ( 1.627 0.000 -1.457) 2.183 21.447 ( 2.313 0.000 1.032) 2.533 21.448 ( 0.515 0.000 0.129) 0.531 21.506 ( 0.570 0.000 -0.211) 0.608 21.523 ( -2.051 0.000 2.372) 3.136 21.593 ( 3.206 0.000 2.332) 3.965 21.708 ( 3.427 0.000 -3.458) 4.869 21.827 ( 2.752 0.000 1.965) 3.381 21.920 ( 2.826 0.000 2.125) 3.536 22.006 ( 0.532 0.000 4.833) 4.863 22.225 ( -5.148 0.000 -0.229) 5.153 22.310 ( -0.907 0.000 -4.150) 4.248 22.584 ( -5.086 0.000 -2.042) 5.481 ======================= Grid point 30 (14/42) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 11.033 0.000 -3.513) 11.578 1.462 ( 14.819 0.000 -5.105) 15.674 1.569 ( 4.958 0.000 22.393) 22.935 1.672 ( 2.969 0.000 -1.249) 3.221 1.719 ( -1.415 0.000 18.635) 18.689 1.831 ( 11.630 0.000 7.816) 14.012 1.959 ( -0.097 0.000 -2.208) 2.210 2.057 ( -5.300 0.000 -0.850) 5.367 2.202 ( -0.964 0.000 1.511) 1.792 2.259 ( 1.091 0.000 0.486) 1.194 2.335 ( 5.035 0.000 3.328) 6.035 2.410 ( 0.055 0.000 1.546) 1.547 2.519 ( -3.767 0.000 -7.689) 8.562 2.561 ( 4.691 0.000 5.502) 7.230 2.574 ( 9.786 0.000 2.908) 10.209 2.648 ( 4.406 0.000 -0.582) 4.444 2.680 ( -1.473 0.000 2.078) 2.547 2.684 ( -2.328 0.000 3.002) 3.799 2.753 ( -4.611 0.000 2.978) 5.489 2.770 ( 1.313 0.000 1.773) 2.206 2.842 ( 0.716 0.000 2.333) 2.440 2.935 ( -3.761 0.000 5.663) 6.798 2.965 ( -2.451 0.000 1.157) 2.710 2.967 ( -0.109 0.000 -0.553) 0.563 3.004 ( 1.182 0.000 0.625) 1.337 3.041 ( 6.773 0.000 1.975) 7.055 3.088 ( -2.211 0.000 0.902) 2.387 3.121 ( -2.425 0.000 -0.514) 2.479 3.137 ( -2.725 0.000 0.993) 2.900 3.183 ( 3.357 0.000 7.173) 7.920 3.195 ( -3.524 0.000 -0.350) 3.541 3.213 ( -2.811 0.000 -0.448) 2.846 3.239 ( -4.780 0.000 2.255) 5.286 3.254 ( -4.065 0.000 -1.182) 4.234 3.345 ( 1.973 0.000 2.366) 3.081 3.446 ( -1.257 0.000 0.812) 1.496 3.469 ( -6.725 0.000 -1.195) 6.830 3.506 ( 3.785 0.000 0.933) 3.898 3.525 ( -1.578 0.000 -0.188) 1.589 3.599 ( -1.405 0.000 1.561) 2.100 3.606 ( 4.167 0.000 -3.658) 5.545 3.620 ( -3.780 0.000 0.541) 3.819 3.703 ( -0.066 0.000 -7.500) 7.500 3.710 ( -4.854 0.000 -0.672) 4.900 3.751 ( 3.543 0.000 7.626) 8.409 3.802 ( 3.104 0.000 -4.524) 5.486 3.818 ( 2.301 0.000 -0.610) 2.380 3.901 ( 8.550 0.000 -6.720) 10.875 3.905 ( 2.413 0.000 -4.479) 5.087 3.962 ( 1.041 0.000 -0.732) 1.272 3.968 ( 6.118 0.000 -2.283) 6.530 4.054 ( 0.387 0.000 3.131) 3.155 4.137 ( 3.817 0.000 -1.072) 3.964 4.166 ( 3.106 0.000 0.568) 3.157 4.190 ( 11.420 0.000 1.493) 11.517 4.266 ( 2.065 0.000 -4.565) 5.010 4.267 ( 8.847 0.000 -2.540) 9.204 4.322 ( 2.692 0.000 -2.876) 3.940 4.398 ( -3.571 0.000 -5.380) 6.457 4.439 ( -0.134 0.000 2.271) 2.275 4.460 ( 4.681 0.000 1.606) 4.949 4.476 ( 0.332 0.000 -1.545) 1.580 4.558 ( -1.943 0.000 -0.591) 2.031 4.578 ( -0.341 0.000 1.737) 1.770 4.588 ( -1.671 0.000 2.473) 2.985 4.630 ( -3.844 0.000 0.749) 3.916 4.641 ( -0.550 0.000 1.090) 1.221 4.759 ( -7.169 0.000 -0.663) 7.199 4.772 ( -8.108 0.000 0.324) 8.114 4.886 ( -0.276 0.000 2.045) 2.063 4.890 ( -0.038 0.000 -1.307) 1.308 4.922 ( -1.675 0.000 -0.235) 1.692 4.932 ( -5.052 0.000 3.295) 6.032 4.979 ( -5.712 0.000 -0.882) 5.780 5.128 ( -0.446 0.000 -2.524) 2.563 5.167 ( -0.412 0.000 -0.105) 0.425 5.175 ( 0.653 0.000 -2.384) 2.471 5.245 ( -5.659 0.000 0.125) 5.660 5.273 ( 0.906 0.000 -0.351) 0.972 5.321 ( 2.380 0.000 1.108) 2.625 5.400 ( 1.294 0.000 1.410) 1.914 5.454 ( 2.217 0.000 -2.065) 3.030 5.465 ( -4.296 0.000 -1.087) 4.431 5.528 ( 1.943 0.000 0.711) 2.069 5.536 ( 2.743 0.000 -1.040) 2.933 5.638 ( 0.337 0.000 -3.864) 3.878 5.711 ( -2.807 0.000 -1.779) 3.323 5.735 ( 1.214 0.000 -6.390) 6.504 5.780 ( -4.223 0.000 -2.670) 4.996 5.859 ( -2.931 0.000 0.397) 2.957 5.892 ( -3.971 0.000 -2.752) 4.831 5.963 ( -0.004 0.000 -4.312) 4.312 6.203 ( -2.663 0.000 -1.229) 2.933 6.247 ( -2.935 0.000 1.907) 3.500 6.330 ( 0.191 0.000 0.191) 0.270 6.438 ( -0.349 0.000 1.612) 1.649 6.749 ( -1.636 0.000 -0.149) 1.642 6.977 ( -0.999 0.000 1.699) 1.971 7.055 ( 0.806 0.000 -5.510) 5.569 7.178 ( 1.845 0.000 -3.639) 4.081 7.439 ( -0.188 0.000 -1.291) 1.305 7.466 ( -2.205 0.000 -3.990) 4.559 7.486 ( -1.485 0.000 -3.597) 3.891 7.493 ( -2.291 0.000 -1.635) 2.814 7.763 ( -1.998 0.000 4.040) 4.507 7.818 ( -1.830 0.000 6.641) 6.889 7.980 ( 1.601 0.000 -2.279) 2.785 8.085 ( 2.208 0.000 0.915) 2.390 8.685 ( -0.480 0.000 9.291) 9.303 8.752 ( -2.897 0.000 5.806) 6.488 8.889 ( -0.727 0.000 1.956) 2.087 8.991 ( 0.382 0.000 -0.906) 0.983 9.096 ( -0.984 0.000 1.867) 2.110 9.240 ( -0.647 0.000 -2.608) 2.687 9.349 ( 1.247 0.000 0.648) 1.405 9.405 ( 1.860 0.000 -6.014) 6.295 9.420 ( -0.049 0.000 -6.723) 6.723 9.501 ( -2.062 0.000 2.859) 3.525 9.558 ( 1.503 0.000 -0.235) 1.522 9.633 ( 2.743 0.000 -0.196) 2.750 9.718 ( -2.606 0.000 -0.397) 2.636 9.755 ( -3.626 0.000 0.940) 3.746 9.844 ( -6.074 0.000 7.778) 9.868 9.931 ( 0.433 0.000 -2.901) 2.933 9.976 ( 0.309 0.000 2.918) 2.935 10.090 ( -0.794 0.000 0.415) 0.896 10.246 ( 0.682 0.000 -0.593) 0.904 10.358 ( -0.856 0.000 -1.139) 1.425 10.924 ( -0.492 0.000 -4.733) 4.758 11.091 ( 6.031 0.000 -9.534) 11.281 11.106 ( 0.283 0.000 5.120) 5.128 11.287 ( 1.208 0.000 8.525) 8.610 11.298 ( 5.469 0.000 -6.616) 8.584 11.487 ( -0.660 0.000 7.399) 7.429 11.510 ( 1.532 0.000 4.219) 4.488 11.583 ( -0.828 0.000 -1.296) 1.537 11.906 ( -1.345 0.000 3.281) 3.546 12.005 ( -0.178 0.000 5.133) 5.136 12.226 ( -0.684 0.000 -3.222) 3.294 12.309 ( -0.080 0.000 -2.494) 2.496 13.884 ( -0.584 0.000 2.170) 2.248 13.928 ( -3.100 0.000 0.281) 3.113 13.993 ( 0.696 0.000 -1.301) 1.475 14.065 ( -1.535 0.000 1.175) 1.933 14.670 ( 1.688 0.000 0.665) 1.814 14.797 ( 0.385 0.000 1.498) 1.547 14.856 ( 3.802 0.000 -2.923) 4.796 15.010 ( 1.651 0.000 -4.800) 5.076 15.725 ( -1.261 0.000 3.459) 3.682 15.769 ( -3.483 0.000 4.516) 5.704 15.990 ( 0.937 0.000 -3.127) 3.265 16.044 ( -1.439 0.000 -1.866) 2.357 18.632 ( -1.785 0.000 0.599) 1.883 18.673 ( 0.131 0.000 -0.289) 0.317 18.734 ( -6.023 0.000 0.935) 6.095 18.805 ( -7.374 0.000 -2.060) 7.656 20.485 ( 0.257 0.000 -1.080) 1.110 20.499 ( 0.729 0.000 -0.266) 0.776 20.527 ( -0.282 0.000 1.316) 1.346 20.550 ( -0.599 0.000 0.018) 0.599 20.805 ( 4.965 0.000 1.002) 5.065 20.932 ( -0.026 0.000 0.415) 0.416 20.990 ( 2.971 0.000 -0.430) 3.002 21.084 ( 0.129 0.000 -0.464) 0.482 21.148 ( -2.677 0.000 1.075) 2.884 21.192 ( 4.330 0.000 -1.691) 4.649 21.196 ( 2.152 0.000 1.795) 2.802 21.387 ( -1.240 0.000 -0.094) 1.244 21.458 ( 0.299 0.000 0.163) 0.340 21.477 ( -2.888 0.000 2.955) 4.132 21.515 ( 0.517 0.000 -0.075) 0.522 21.516 ( 2.783 0.000 0.199) 2.790 21.629 ( 0.800 0.000 -1.572) 1.764 21.784 ( 3.570 0.000 0.388) 3.591 21.878 ( 0.709 0.000 0.962) 1.195 21.971 ( 0.880 0.000 0.777) 1.174 22.057 ( 2.102 0.000 0.807) 2.251 22.147 ( -2.926 0.000 2.005) 3.547 22.270 ( 0.134 0.000 -4.245) 4.247 22.467 ( -3.702 0.000 -3.006) 4.769 ======================= Grid point 31 (15/42) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -1.784 0.000 -0.669) 1.905 1.671 ( 0.460 0.000 4.773) 4.795 1.683 ( 3.835 0.000 -2.721) 4.703 1.779 ( 2.624 0.000 1.599) 3.073 1.788 ( -2.550 0.000 22.370) 22.514 1.835 ( 1.301 0.000 2.308) 2.649 1.917 ( -6.188 0.000 8.605) 10.600 2.138 ( 2.513 0.000 5.695) 6.225 2.251 ( 4.356 0.000 7.434) 8.616 2.281 ( -2.436 0.000 -3.454) 4.226 2.307 ( -3.456 0.000 -0.001) 3.456 2.359 ( -5.143 0.000 3.026) 5.967 2.454 ( 2.931 0.000 -5.372) 6.119 2.596 ( -6.331 0.000 0.470) 6.348 2.600 ( -4.887 0.000 -1.256) 5.046 2.641 ( -5.560 0.000 3.903) 6.793 2.666 ( 2.272 0.000 -0.489) 2.324 2.688 ( 4.814 0.000 4.423) 6.538 2.736 ( 0.434 0.000 4.769) 4.789 2.829 ( -9.915 0.000 -0.351) 9.921 2.879 ( -0.765 0.000 3.853) 3.928 2.881 ( -2.846 0.000 2.680) 3.909 2.953 ( 1.972 0.000 0.959) 2.193 2.972 ( 1.884 0.000 -2.416) 3.063 2.989 ( 0.496 0.000 2.138) 2.194 3.052 ( 1.979 0.000 1.136) 2.282 3.078 ( 2.621 0.000 4.083) 4.852 3.098 ( -0.535 0.000 -1.764) 1.844 3.139 ( 0.650 0.000 4.133) 4.183 3.150 ( 0.073 0.000 0.420) 0.426 3.194 ( -1.350 0.000 1.701) 2.172 3.224 ( -1.998 0.000 1.104) 2.283 3.269 ( 2.800 0.000 -1.260) 3.071 3.305 ( 0.361 0.000 3.175) 3.195 3.350 ( 0.646 0.000 2.050) 2.149 3.396 ( -3.478 0.000 1.111) 3.651 3.409 ( -1.632 0.000 -0.202) 1.645 3.462 ( 1.665 0.000 2.626) 3.109 3.529 ( -0.692 0.000 -5.848) 5.889 3.583 ( 0.758 0.000 1.665) 1.829 3.585 ( -0.976 0.000 -0.436) 1.069 3.628 ( -0.734 0.000 0.919) 1.175 3.686 ( -0.898 0.000 -0.209) 0.922 3.714 ( 2.983 0.000 -2.878) 4.145 3.778 ( -3.837 0.000 -2.202) 4.424 3.792 ( -6.976 0.000 -0.042) 6.976 3.813 ( 1.330 0.000 -5.101) 5.272 3.846 ( 0.177 0.000 -5.395) 5.398 3.956 ( -0.967 0.000 -1.681) 1.940 4.011 ( -0.067 0.000 -3.297) 3.298 4.036 ( 1.723 0.000 -4.528) 4.844 4.102 ( 5.727 0.000 -6.556) 8.705 4.159 ( 0.093 0.000 -5.303) 5.304 4.208 ( -1.641 0.000 5.344) 5.590 4.249 ( -0.422 0.000 0.419) 0.594 4.323 ( 1.918 0.000 -3.588) 4.068 4.358 ( 5.194 0.000 -5.145) 7.311 4.408 ( 0.283 0.000 4.635) 4.643 4.420 ( 5.600 0.000 -4.873) 7.424 4.443 ( -0.902 0.000 -1.296) 1.579 4.488 ( 0.582 0.000 -2.074) 2.154 4.507 ( 2.839 0.000 -2.484) 3.772 4.530 ( -3.311 0.000 1.796) 3.767 4.542 ( -2.707 0.000 -1.834) 3.270 4.553 ( 0.313 0.000 3.953) 3.966 4.619 ( -1.009 0.000 0.903) 1.354 4.634 ( 1.497 0.000 6.673) 6.839 4.680 ( -1.172 0.000 1.073) 1.589 4.682 ( 3.530 0.000 4.647) 5.835 4.827 ( -5.281 0.000 -0.315) 5.291 4.869 ( -2.364 0.000 -0.920) 2.537 4.876 ( -1.719 0.000 1.057) 2.018 4.902 ( -0.133 0.000 -0.063) 0.148 4.980 ( 3.704 0.000 5.212) 6.394 5.062 ( -1.370 0.000 -6.337) 6.483 5.106 ( -1.454 0.000 -1.532) 2.112 5.168 ( 0.692 0.000 -4.079) 4.138 5.238 ( 1.839 0.000 2.814) 3.362 5.267 ( -1.418 0.000 -0.438) 1.484 5.346 ( 1.091 0.000 -1.872) 2.167 5.396 ( -1.358 0.000 -0.074) 1.360 5.458 ( -0.876 0.000 -0.680) 1.109 5.486 ( 1.722 0.000 4.207) 4.546 5.544 ( 0.421 0.000 -2.831) 2.862 5.600 ( -1.241 0.000 -1.448) 1.907 5.644 ( 1.753 0.000 -0.082) 1.755 5.661 ( 3.531 0.000 -0.236) 3.539 5.727 ( 3.352 0.000 -8.197) 8.856 5.786 ( 7.500 0.000 2.421) 7.882 5.827 ( -0.459 0.000 0.489) 0.671 5.835 ( -0.171 0.000 -1.912) 1.920 5.956 ( 1.592 0.000 -3.890) 4.203 6.172 ( 0.814 0.000 -0.649) 1.041 6.201 ( -1.816 0.000 0.658) 1.932 6.351 ( 0.901 0.000 1.402) 1.667 6.407 ( -2.724 0.000 -1.346) 3.039 6.733 ( 0.071 0.000 0.179) 0.192 6.970 ( -0.841 0.000 1.369) 1.607 7.033 ( 1.218 0.000 -6.273) 6.391 7.189 ( 1.939 0.000 -3.640) 4.124 7.420 ( -0.312 0.000 -2.524) 2.543 7.428 ( 1.206 0.000 -3.373) 3.582 7.435 ( -1.259 0.000 -3.200) 3.439 7.459 ( 1.373 0.000 -2.962) 3.265 7.756 ( -1.431 0.000 3.792) 4.053 7.842 ( -1.253 0.000 8.046) 8.143 7.989 ( 0.685 0.000 -2.175) 2.280 8.113 ( -0.125 0.000 0.816) 0.825 8.723 ( -4.035 0.000 8.186) 9.126 8.754 ( -0.141 0.000 8.873) 8.874 8.891 ( -0.515 0.000 1.829) 1.900 9.002 ( 0.586 0.000 0.824) 1.011 9.105 ( 0.722 0.000 1.103) 1.318 9.223 ( 1.395 0.000 -4.427) 4.642 9.372 ( 0.264 0.000 0.115) 0.288 9.373 ( -0.595 0.000 -3.761) 3.808 9.406 ( 2.952 0.000 -5.918) 6.614 9.492 ( -0.683 0.000 1.763) 1.891 9.604 ( 2.110 0.000 1.296) 2.477 9.621 ( -3.526 0.000 -4.632) 5.821 9.664 ( -0.907 0.000 1.269) 1.560 9.696 ( -2.396 0.000 0.162) 2.402 9.820 ( -1.695 0.000 7.151) 7.349 9.932 ( -0.019 0.000 0.209) 0.210 10.018 ( 2.118 0.000 1.858) 2.817 10.107 ( 1.714 0.000 1.589) 2.337 10.232 ( -0.916 0.000 -2.397) 2.566 10.330 ( -0.651 0.000 -2.481) 2.565 10.857 ( -2.769 0.000 -4.284) 5.101 11.117 ( -1.234 0.000 0.668) 1.403 11.130 ( 4.713 0.000 -9.596) 10.691 11.334 ( -2.936 0.000 9.034) 9.499 11.375 ( 6.741 0.000 -6.771) 9.555 11.497 ( -3.022 0.000 5.449) 6.231 11.557 ( -0.513 0.000 3.401) 3.440 11.561 ( -2.487 0.000 6.702) 7.149 11.898 ( -1.291 0.000 1.535) 2.006 12.021 ( -1.393 0.000 4.183) 4.409 12.206 ( 1.252 0.000 -3.453) 3.673 12.300 ( 0.986 0.000 -2.332) 2.532 13.871 ( -1.617 0.000 1.021) 1.913 13.921 ( 1.094 0.000 2.503) 2.732 13.995 ( 0.612 0.000 -1.645) 1.756 14.037 ( -1.501 0.000 -0.029) 1.501 14.699 ( 0.243 0.000 1.664) 1.681 14.799 ( -1.009 0.000 1.060) 1.464 14.898 ( 2.071 0.000 -1.926) 2.828 15.005 ( 1.314 0.000 -4.859) 5.034 15.727 ( -1.099 0.000 3.565) 3.730 15.741 ( -2.253 0.000 3.580) 4.230 15.994 ( 1.536 0.000 -2.684) 3.092 16.013 ( 0.116 0.000 -2.762) 2.764 18.616 ( -0.315 0.000 0.683) 0.752 18.664 ( -1.096 0.000 -0.244) 1.123 18.690 ( -3.126 0.000 -1.315) 3.391 18.706 ( 3.822 0.000 -0.812) 3.907 20.499 ( 1.233 0.000 0.312) 1.272 20.515 ( -1.254 0.000 -0.084) 1.257 20.523 ( 1.176 0.000 1.188) 1.672 20.546 ( -0.025 0.000 0.261) 0.262 20.878 ( -0.107 0.000 2.144) 2.147 20.959 ( 2.529 0.000 2.664) 3.673 21.026 ( 1.363 0.000 -1.404) 1.957 21.082 ( -0.040 0.000 0.190) 0.195 21.088 ( -3.617 0.000 -0.447) 3.645 21.226 ( -0.398 0.000 1.596) 1.645 21.249 ( 2.494 0.000 -1.353) 2.838 21.343 ( -2.762 0.000 -0.446) 2.798 21.446 ( -1.058 0.000 0.702) 1.270 21.460 ( -0.130 0.000 0.046) 0.138 21.525 ( 0.384 0.000 0.286) 0.479 21.580 ( 1.983 0.000 3.668) 4.169 21.612 ( -0.721 0.000 -3.558) 3.630 21.831 ( 0.253 0.000 2.766) 2.777 21.856 ( -2.328 0.000 -1.987) 3.061 21.957 ( -2.173 0.000 -1.419) 2.595 22.047 ( -2.098 0.000 -1.636) 2.661 22.178 ( 2.639 0.000 4.249) 5.002 22.254 ( 1.447 0.000 -4.310) 4.546 22.431 ( 1.891 0.000 -2.149) 2.863 ======================= Grid point 32 (16/42) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -18.484 0.000 -4.372) 18.994 1.477 ( -16.832 0.000 3.172) 17.128 1.731 ( -12.389 0.000 20.786) 24.198 1.764 ( -0.129 0.000 -0.199) 0.237 1.808 ( -11.581 0.000 15.384) 19.256 1.979 ( -7.080 0.000 7.216) 10.109 2.055 ( 10.295 0.000 2.051) 10.497 2.079 ( 4.914 0.000 5.215) 7.165 2.129 ( -7.950 0.000 -5.334) 9.574 2.244 ( -6.227 0.000 3.260) 7.029 2.252 ( -7.535 0.000 0.340) 7.542 2.417 ( 0.331 0.000 8.911) 8.917 2.431 ( -7.981 0.000 -2.936) 8.504 2.473 ( -0.440 0.000 0.296) 0.530 2.507 ( -0.270 0.000 -1.293) 1.321 2.639 ( -0.988 0.000 4.054) 4.173 2.689 ( -0.440 0.000 -2.437) 2.476 2.743 ( -5.134 0.000 3.918) 6.458 2.760 ( 5.484 0.000 0.724) 5.532 2.824 ( 2.870 0.000 3.295) 4.370 2.843 ( 3.177 0.000 6.619) 7.342 2.883 ( -4.282 0.000 2.390) 4.904 2.958 ( -1.567 0.000 -1.919) 2.478 2.977 ( -7.833 0.000 4.788) 9.181 2.999 ( -3.783 0.000 -0.798) 3.866 3.038 ( 1.750 0.000 2.501) 3.053 3.067 ( 2.861 0.000 0.517) 2.908 3.126 ( -3.496 0.000 0.472) 3.528 3.131 ( -4.567 0.000 0.289) 4.576 3.165 ( -0.017 0.000 -0.326) 0.326 3.202 ( 2.331 0.000 0.035) 2.332 3.240 ( -6.844 0.000 -2.125) 7.166 3.258 ( 4.703 0.000 -5.455) 7.203 3.308 ( 2.041 0.000 -0.793) 2.190 3.316 ( 8.015 0.000 -0.003) 8.015 3.400 ( -1.042 0.000 1.374) 1.724 3.436 ( 0.841 0.000 -2.867) 2.988 3.496 ( -1.458 0.000 -0.049) 1.459 3.561 ( -0.843 0.000 2.367) 2.513 3.567 ( 6.069 0.000 -1.359) 6.220 3.603 ( -2.064 0.000 2.415) 3.177 3.610 ( -4.890 0.000 2.052) 5.303 3.633 ( -1.859 0.000 -1.229) 2.228 3.656 ( -3.395 0.000 -4.005) 5.250 3.659 ( -3.858 0.000 -0.667) 3.915 3.736 ( 0.167 0.000 -3.185) 3.189 3.749 ( 3.037 0.000 0.329) 3.055 3.847 ( 3.307 0.000 -0.462) 3.339 3.878 ( -8.221 0.000 -2.465) 8.582 3.923 ( -2.067 0.000 -5.478) 5.855 4.009 ( -0.413 0.000 1.193) 1.262 4.098 ( 0.776 0.000 -7.109) 7.151 4.103 ( -6.132 0.000 1.794) 6.389 4.206 ( 0.804 0.000 -2.211) 2.352 4.294 ( -1.211 0.000 -1.866) 2.224 4.300 ( 2.831 0.000 -2.258) 3.621 4.309 ( -7.021 0.000 -0.295) 7.027 4.368 ( -2.493 0.000 2.429) 3.481 4.416 ( -0.157 0.000 -0.646) 0.665 4.427 ( 2.286 0.000 -3.815) 4.448 4.521 ( 0.202 0.000 4.215) 4.220 4.538 ( 2.855 0.000 -6.239) 6.861 4.549 ( 2.352 0.000 0.762) 2.472 4.573 ( 3.940 0.000 2.308) 4.566 4.584 ( -0.286 0.000 1.997) 2.017 4.661 ( -0.173 0.000 -2.326) 2.332 4.683 ( 3.136 0.000 2.702) 4.139 4.699 ( -2.271 0.000 4.291) 4.855 4.774 ( 0.697 0.000 2.218) 2.325 4.827 ( 1.346 0.000 -1.756) 2.213 4.861 ( 7.629 0.000 3.666) 8.464 4.891 ( -0.067 0.000 -0.690) 0.694 4.918 ( 5.508 0.000 -0.273) 5.515 5.023 ( 1.628 0.000 -2.804) 3.242 5.060 ( 1.818 0.000 0.264) 1.837 5.140 ( -0.554 0.000 -4.148) 4.184 5.188 ( 5.655 0.000 5.288) 7.743 5.236 ( -0.877 0.000 -0.487) 1.003 5.294 ( 1.539 0.000 1.038) 1.856 5.323 ( -3.364 0.000 -2.229) 4.035 5.374 ( 1.257 0.000 -4.346) 4.524 5.439 ( 0.208 0.000 0.765) 0.793 5.477 ( -2.590 0.000 2.301) 3.464 5.518 ( -1.583 0.000 -3.066) 3.451 5.632 ( 3.838 0.000 -2.343) 4.497 5.666 ( 1.230 0.000 -1.729) 2.122 5.721 ( 3.159 0.000 0.163) 3.164 5.759 ( 4.920 0.000 -7.245) 8.757 5.846 ( 2.265 0.000 -0.660) 2.359 5.855 ( 3.052 0.000 -1.004) 3.212 5.961 ( 2.189 0.000 -4.371) 4.888 6.018 ( 10.202 0.000 -0.767) 10.231 6.205 ( 1.688 0.000 0.034) 1.688 6.233 ( 4.383 0.000 2.030) 4.830 6.329 ( -2.786 0.000 -2.903) 4.024 6.387 ( 1.667 0.000 3.510) 3.886 6.762 ( 2.502 0.000 1.028) 2.705 6.964 ( -0.468 0.000 0.848) 0.968 7.015 ( 1.701 0.000 -6.840) 7.048 7.205 ( 1.982 0.000 -3.155) 3.726 7.398 ( -0.092 0.000 -2.750) 2.752 7.402 ( 0.104 0.000 -2.416) 2.418 7.461 ( 4.101 0.000 -3.244) 5.229 7.505 ( 5.016 0.000 -2.267) 5.504 7.765 ( -0.081 0.000 3.187) 3.188 7.874 ( -1.094 0.000 6.984) 7.069 7.970 ( -1.060 0.000 -2.283) 2.517 8.094 ( -2.273 0.000 0.874) 2.435 8.689 ( -5.196 0.000 8.765) 10.190 8.819 ( 0.083 0.000 8.133) 8.134 8.885 ( -1.661 0.000 2.104) 2.681 9.027 ( 1.135 0.000 1.572) 1.939 9.138 ( 1.837 0.000 0.640) 1.945 9.218 ( 3.119 0.000 -10.759) 11.202 9.359 ( -0.748 0.000 4.681) 4.741 9.365 ( 0.680 0.000 -3.255) 3.325 9.426 ( 1.103 0.000 -3.048) 3.241 9.492 ( 1.093 0.000 -2.954) 3.150 9.529 ( -1.370 0.000 -3.271) 3.547 9.633 ( -1.389 0.000 3.815) 4.060 9.654 ( -1.222 0.000 2.704) 2.967 9.673 ( 0.003 0.000 0.490) 0.490 9.877 ( 3.280 0.000 3.431) 4.747 9.932 ( -0.583 0.000 2.333) 2.404 10.072 ( 1.865 0.000 0.436) 1.915 10.157 ( 1.023 0.000 3.004) 3.173 10.185 ( -1.240 0.000 -3.425) 3.642 10.301 ( 0.028 0.000 -3.390) 3.390 10.770 ( -2.998 0.000 -2.249) 3.748 11.074 ( -2.118 0.000 -2.473) 3.256 11.145 ( 3.584 0.000 -9.339) 10.003 11.303 ( -5.982 0.000 8.221) 10.167 11.424 ( 1.261 0.000 -6.261) 6.387 11.441 ( -5.971 0.000 4.028) 7.202 11.543 ( -2.768 0.000 6.713) 7.262 11.603 ( 0.737 0.000 8.564) 8.596 11.872 ( -1.991 0.000 0.022) 1.992 12.026 ( -0.956 0.000 5.200) 5.287 12.224 ( 2.754 0.000 -3.231) 4.246 12.312 ( 1.666 0.000 -2.343) 2.875 13.856 ( -0.750 0.000 1.330) 1.527 13.984 ( 3.270 0.000 2.626) 4.194 13.995 ( 0.541 0.000 -1.768) 1.849 14.009 ( -1.039 0.000 -0.572) 1.186 14.698 ( -1.557 0.000 1.515) 2.172 14.777 ( -1.839 0.000 1.188) 2.189 14.903 ( -0.776 0.000 -0.854) 1.154 14.992 ( 1.512 0.000 -7.103) 7.262 15.721 ( -1.647 0.000 2.911) 3.345 15.743 ( -0.700 0.000 5.171) 5.218 16.008 ( 1.568 0.000 -3.401) 3.745 16.015 ( 2.212 0.000 -2.017) 2.994 18.622 ( 0.663 0.000 0.284) 0.721 18.652 ( -0.208 0.000 -0.687) 0.718 18.693 ( 3.879 0.000 -0.156) 3.882 18.824 ( 8.982 0.000 -1.310) 9.077 20.485 ( -1.330 0.000 -0.665) 1.487 20.531 ( 1.349 0.000 0.865) 1.602 20.541 ( -0.567 0.000 -0.529) 0.775 20.558 ( 1.316 0.000 1.378) 1.905 20.856 ( -3.387 0.000 3.572) 4.923 20.976 ( -5.914 0.000 -2.121) 6.283 21.028 ( 1.461 0.000 2.396) 2.806 21.043 ( 0.943 0.000 -2.433) 2.609 21.087 ( -0.677 0.000 2.936) 3.013 21.210 ( -2.081 0.000 1.812) 2.759 21.267 ( 1.075 0.000 -4.500) 4.626 21.290 ( -1.868 0.000 0.234) 1.883 21.444 ( 0.030 0.000 1.129) 1.130 21.456 ( -0.224 0.000 0.211) 0.307 21.534 ( 0.056 0.000 0.684) 0.686 21.554 ( -2.224 0.000 -3.203) 3.899 21.650 ( 1.323 0.000 6.861) 6.987 21.777 ( -3.022 0.000 -3.785) 4.843 21.847 ( -1.052 0.000 4.631) 4.748 21.875 ( -3.696 0.000 -3.622) 5.175 21.983 ( -3.529 0.000 -0.202) 3.535 22.267 ( 3.600 0.000 2.802) 4.562 22.274 ( 3.157 0.000 -3.508) 4.720 22.484 ( 4.564 0.000 -2.900) 5.407 ======================= Grid point 33 (17/42) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -21.657 0.000 -1.593) 21.716 1.123 ( -21.008 0.000 4.757) 21.540 1.602 ( -16.180 0.000 23.845) 28.816 1.634 ( -14.810 0.000 7.200) 16.467 1.679 ( -6.748 0.000 3.222) 7.478 1.855 ( -9.096 0.000 8.419) 12.394 1.859 ( -23.683 0.000 -3.614) 23.958 1.949 ( -25.094 0.000 7.113) 26.082 2.016 ( -9.745 0.000 -0.715) 9.771 2.056 ( -7.177 0.000 0.613) 7.203 2.272 ( -2.733 0.000 16.977) 17.195 2.347 ( 11.870 0.000 -1.860) 12.015 2.462 ( -3.054 0.000 10.320) 10.763 2.536 ( 1.775 0.000 -0.211) 1.787 2.561 ( 3.806 0.000 0.630) 3.858 2.579 ( -3.204 0.000 1.511) 3.542 2.677 ( -1.013 0.000 -5.069) 5.169 2.680 ( -6.623 0.000 -0.277) 6.629 2.736 ( -0.658 0.000 1.873) 1.985 2.815 ( -4.331 0.000 -4.454) 6.212 2.876 ( -6.249 0.000 -0.154) 6.251 2.909 ( 3.085 0.000 1.848) 3.596 2.915 ( -3.937 0.000 -2.720) 4.786 2.931 ( 1.714 0.000 4.767) 5.066 2.972 ( -2.569 0.000 -1.325) 2.891 3.017 ( 2.636 0.000 1.026) 2.829 3.041 ( -3.342 0.000 4.363) 5.496 3.066 ( -1.914 0.000 -0.744) 2.054 3.136 ( 2.164 0.000 -2.904) 3.622 3.149 ( 1.665 0.000 -3.612) 3.977 3.187 ( 3.533 0.000 -0.378) 3.553 3.263 ( 3.071 0.000 -3.463) 4.629 3.311 ( 0.839 0.000 -0.243) 0.874 3.361 ( -1.517 0.000 -0.709) 1.674 3.377 ( -0.359 0.000 -1.860) 1.894 3.383 ( -1.689 0.000 -2.175) 2.754 3.396 ( 2.043 0.000 -1.494) 2.531 3.418 ( 1.633 0.000 3.558) 3.914 3.487 ( -4.918 0.000 -0.162) 4.920 3.562 ( -1.713 0.000 -2.127) 2.731 3.566 ( -0.446 0.000 1.235) 1.313 3.568 ( 1.214 0.000 4.031) 4.210 3.662 ( -2.978 0.000 -1.768) 3.463 3.707 ( 3.025 0.000 3.906) 4.940 3.728 ( -3.035 0.000 -0.575) 3.089 3.766 ( 10.354 0.000 -2.249) 10.596 3.834 ( 12.474 0.000 2.586) 12.739 3.839 ( -8.047 0.000 3.788) 8.894 3.894 ( 7.909 0.000 -0.611) 7.933 3.915 ( 5.600 0.000 -1.162) 5.720 3.999 ( -1.224 0.000 -4.382) 4.550 4.033 ( -3.874 0.000 3.940) 5.526 4.036 ( 0.881 0.000 2.237) 2.404 4.154 ( -6.114 0.000 -0.364) 6.125 4.197 ( 1.783 0.000 -6.539) 6.778 4.275 ( -0.830 0.000 2.359) 2.501 4.321 ( 1.888 0.000 -5.557) 5.869 4.379 ( 0.671 0.000 -6.701) 6.735 4.429 ( 1.027 0.000 4.037) 4.165 4.429 ( 0.790 0.000 -1.823) 1.987 4.498 ( -3.386 0.000 1.585) 3.739 4.546 ( -4.044 0.000 1.624) 4.358 4.571 ( -0.713 0.000 3.285) 3.362 4.590 ( 3.255 0.000 -1.517) 3.591 4.640 ( 1.961 0.000 2.348) 3.059 4.691 ( 3.574 0.000 -2.858) 4.577 4.701 ( 0.082 0.000 2.795) 2.796 4.748 ( 4.891 0.000 2.571) 5.526 4.809 ( 0.494 0.000 -1.969) 2.030 4.881 ( 0.179 0.000 -1.200) 1.213 4.899 ( 4.120 0.000 -4.552) 6.140 4.971 ( 3.462 0.000 2.185) 4.094 5.023 ( 4.140 0.000 1.803) 4.516 5.054 ( -3.053 0.000 -2.383) 3.873 5.095 ( 2.326 0.000 1.357) 2.693 5.135 ( 3.003 0.000 1.107) 3.200 5.184 ( -4.812 0.000 -3.072) 5.709 5.225 ( -3.148 0.000 1.902) 3.678 5.240 ( -0.317 0.000 -2.111) 2.135 5.340 ( -1.038 0.000 -0.022) 1.038 5.389 ( 3.130 0.000 -3.710) 4.854 5.448 ( -0.706 0.000 -0.177) 0.728 5.452 ( -1.039 0.000 1.670) 1.967 5.483 ( 1.788 0.000 1.822) 2.553 5.665 ( 1.827 0.000 -6.286) 6.546 5.696 ( 3.720 0.000 -4.176) 5.593 5.795 ( 3.211 0.000 -5.966) 6.775 5.795 ( 3.831 0.000 0.551) 3.871 5.892 ( 3.151 0.000 -2.958) 4.322 5.923 ( 3.685 0.000 -0.262) 3.695 5.984 ( 2.799 0.000 -3.519) 4.497 6.100 ( 1.826 0.000 -6.779) 7.020 6.242 ( 1.464 0.000 -0.041) 1.465 6.292 ( 1.102 0.000 -1.257) 1.672 6.321 ( 2.279 0.000 0.889) 2.447 6.493 ( 5.094 0.000 3.891) 6.410 6.834 ( 3.362 0.000 0.450) 3.392 6.967 ( 0.160 0.000 0.799) 0.815 7.009 ( 2.557 0.000 -6.411) 6.902 7.216 ( 1.074 0.000 -2.825) 3.023 7.379 ( 0.034 0.000 -1.561) 1.562 7.406 ( 0.996 0.000 -0.464) 1.099 7.529 ( 4.811 0.000 -3.631) 6.027 7.611 ( 6.371 0.000 -2.049) 6.692 7.802 ( 1.922 0.000 2.191) 2.914 7.895 ( -0.874 0.000 4.348) 4.435 7.919 ( -2.198 0.000 -1.683) 2.768 8.045 ( -2.970 0.000 0.826) 3.083 8.645 ( -5.358 0.000 8.788) 10.293 8.850 ( -2.057 0.000 3.052) 3.681 8.855 ( -2.868 0.000 2.709) 3.945 9.067 ( 1.640 0.000 1.166) 2.012 9.151 ( 0.790 0.000 -6.729) 6.775 9.230 ( 4.927 0.000 -4.336) 6.563 9.364 ( 2.301 0.000 -5.351) 5.825 9.393 ( -1.092 0.000 -2.674) 2.888 9.410 ( 0.251 0.000 10.423) 10.426 9.493 ( 2.044 0.000 -5.641) 6.000 9.546 ( 3.626 0.000 -0.929) 3.743 9.628 ( -0.640 0.000 1.570) 1.695 9.669 ( 0.319 0.000 4.441) 4.453 9.679 ( -0.841 0.000 1.898) 2.076 9.937 ( -2.087 0.000 5.407) 5.796 9.976 ( 4.421 0.000 2.499) 5.078 10.087 ( 0.704 0.000 -3.069) 3.149 10.157 ( 0.836 0.000 -2.590) 2.722 10.180 ( -1.369 0.000 4.173) 4.392 10.300 ( 2.880 0.000 -3.169) 4.282 10.728 ( -1.021 0.000 2.665) 2.854 11.003 ( -2.701 0.000 -4.077) 4.891 11.131 ( 1.516 0.000 -9.562) 9.682 11.233 ( -5.926 0.000 7.140) 9.279 11.320 ( -8.498 0.000 3.151) 9.063 11.355 ( -3.668 0.000 -2.820) 4.626 11.537 ( -2.887 0.000 8.471) 8.949 11.706 ( 3.461 0.000 5.252) 6.290 11.824 ( -3.405 0.000 2.541) 4.249 12.069 ( 1.107 0.000 6.857) 6.945 12.262 ( 3.093 0.000 -2.954) 4.277 12.327 ( 1.476 0.000 -2.647) 3.030 13.856 ( -0.230 0.000 1.457) 1.475 13.983 ( -0.412 0.000 -1.170) 1.240 14.001 ( 0.513 0.000 -0.442) 0.677 14.084 ( 4.842 0.000 2.047) 5.257 14.657 ( -3.078 0.000 0.342) 3.097 14.750 ( -1.924 0.000 1.913) 2.713 14.853 ( -3.584 0.000 -0.881) 3.690 14.942 ( -0.594 0.000 -12.048) 12.063 15.713 ( -1.288 0.000 3.195) 3.445 15.792 ( 1.136 0.000 9.068) 9.139 16.020 ( 2.087 0.000 -3.878) 4.404 16.056 ( 2.934 0.000 -1.268) 3.196 18.649 ( 1.811 0.000 0.047) 1.811 18.663 ( 1.175 0.000 0.169) 1.187 18.805 ( 6.766 0.000 1.630) 6.960 19.043 ( 13.951 0.000 -2.528) 14.178 20.453 ( -1.359 0.000 -0.940) 1.652 20.513 ( -1.297 0.000 -1.688) 2.128 20.555 ( 0.508 0.000 0.390) 0.640 20.591 ( 1.044 0.000 0.823) 1.330 20.807 ( -4.037 0.000 3.962) 5.656 20.817 ( -7.347 0.000 -3.401) 8.096 21.048 ( 0.081 0.000 -0.078) 0.112 21.049 ( 1.576 0.000 -2.976) 3.368 21.075 ( -3.835 0.000 4.907) 6.228 21.172 ( -4.052 0.000 3.576) 5.404 21.247 ( -2.190 0.000 -3.748) 4.341 21.251 ( 1.099 0.000 -3.773) 3.929 21.456 ( 0.198 0.000 1.498) 1.511 21.458 ( 0.064 0.000 0.869) 0.872 21.499 ( -1.274 0.000 -1.375) 1.875 21.530 ( -1.233 0.000 0.729) 1.432 21.700 ( -1.533 0.000 -3.837) 4.132 21.730 ( 0.332 0.000 9.922) 9.927 21.784 ( -1.942 0.000 -4.117) 4.552 21.858 ( -1.729 0.000 5.646) 5.904 21.905 ( -3.911 0.000 -0.103) 3.912 22.318 ( 3.517 0.000 -3.436) 4.917 22.371 ( 4.840 0.000 4.593) 6.673 22.556 ( 5.093 0.000 -4.296) 6.663 ======================= Grid point 34 (18/42) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -18.274 0.000 8.828) 20.294 0.673 ( -28.609 0.000 1.369) 28.641 1.136 ( -34.009 0.000 23.885) 41.559 1.374 ( -15.649 0.000 6.215) 16.838 1.468 ( -13.800 0.000 16.407) 21.439 1.609 ( -4.760 0.000 7.719) 9.068 1.738 ( -8.685 0.000 10.260) 13.442 1.753 ( -11.260 0.000 15.634) 19.266 1.827 ( -8.958 0.000 4.024) 9.821 1.955 ( -3.371 0.000 -0.229) 3.379 2.251 ( -9.708 0.000 8.701) 13.036 2.384 ( -10.247 0.000 -2.897) 10.649 2.440 ( -4.772 0.000 -0.075) 4.772 2.467 ( -6.128 0.000 -9.127) 10.994 2.526 ( -0.986 0.000 -1.182) 1.539 2.544 ( 0.065 0.000 1.535) 1.536 2.573 ( 2.930 0.000 -3.832) 4.824 2.653 ( 1.951 0.000 -0.553) 2.028 2.760 ( -3.381 0.000 -0.676) 3.447 2.787 ( -3.496 0.000 -0.809) 3.588 2.812 ( 4.217 0.000 -0.458) 4.242 2.822 ( 4.095 0.000 0.441) 4.119 2.935 ( 2.695 0.000 -0.592) 2.759 2.938 ( -2.365 0.000 3.031) 3.845 2.992 ( -1.102 0.000 -0.487) 1.204 3.013 ( -0.608 0.000 8.329) 8.351 3.038 ( 2.475 0.000 -1.942) 3.146 3.134 ( 3.916 0.000 -3.185) 5.048 3.149 ( 5.494 0.000 -3.199) 6.357 3.209 ( 6.008 0.000 -3.191) 6.803 3.252 ( -3.047 0.000 3.901) 4.950 3.278 ( -2.677 0.000 -3.116) 4.108 3.291 ( 1.932 0.000 -1.861) 2.683 3.329 ( -2.799 0.000 2.645) 3.851 3.343 ( -0.029 0.000 0.132) 0.135 3.394 ( 4.161 0.000 -0.710) 4.221 3.419 ( 1.177 0.000 -3.868) 4.043 3.446 ( 0.879 0.000 -1.463) 1.707 3.538 ( 0.421 0.000 1.192) 1.264 3.547 ( 1.321 0.000 -3.008) 3.285 3.559 ( 1.952 0.000 0.784) 2.104 3.592 ( -0.851 0.000 0.162) 0.866 3.636 ( 1.366 0.000 0.103) 1.370 3.665 ( -6.239 0.000 1.299) 6.373 3.682 ( -1.678 0.000 0.663) 1.804 3.774 ( -0.157 0.000 4.746) 4.748 3.844 ( -5.514 0.000 -3.094) 6.323 3.925 ( 6.342 0.000 -4.500) 7.776 3.992 ( -6.035 0.000 -1.897) 6.326 4.013 ( 1.484 0.000 -0.083) 1.486 4.063 ( 0.336 0.000 -3.943) 3.957 4.072 ( 5.808 0.000 -0.329) 5.817 4.099 ( 2.892 0.000 6.857) 7.441 4.143 ( 6.027 0.000 4.807) 7.709 4.213 ( 5.353 0.000 -4.858) 7.229 4.283 ( -3.851 0.000 1.276) 4.056 4.327 ( 6.273 0.000 -1.390) 6.425 4.339 ( -3.561 0.000 -0.249) 3.570 4.418 ( 3.272 0.000 1.765) 3.718 4.449 ( 4.123 0.000 -4.671) 6.230 4.525 ( 3.897 0.000 4.070) 5.635 4.527 ( 0.425 0.000 3.892) 3.915 4.617 ( 1.836 0.000 -3.784) 4.206 4.625 ( 2.426 0.000 11.354) 11.610 4.696 ( 1.512 0.000 -5.425) 5.631 4.724 ( -5.872 0.000 -3.949) 7.076 4.743 ( 2.488 0.000 2.819) 3.760 4.753 ( 6.003 0.000 -1.921) 6.303 4.820 ( -0.558 0.000 -0.085) 0.565 4.893 ( -4.397 0.000 -6.415) 7.777 4.916 ( 4.584 0.000 0.608) 4.624 4.976 ( 0.628 0.000 1.515) 1.640 5.024 ( -2.107 0.000 0.983) 2.325 5.033 ( -2.540 0.000 -4.332) 5.022 5.092 ( 2.889 0.000 3.770) 4.750 5.144 ( -3.512 0.000 1.248) 3.727 5.184 ( 0.141 0.000 1.360) 1.367 5.195 ( 1.778 0.000 3.283) 3.734 5.243 ( 1.084 0.000 0.265) 1.116 5.295 ( -2.823 0.000 2.572) 3.820 5.420 ( 0.251 0.000 -7.494) 7.498 5.432 ( 0.073 0.000 1.389) 1.391 5.454 ( 0.583 0.000 -0.969) 1.130 5.538 ( 0.559 0.000 0.837) 1.006 5.587 ( -4.817 0.000 -3.117) 5.738 5.718 ( 2.948 0.000 -10.777) 11.173 5.801 ( 0.964 0.000 -1.603) 1.870 5.863 ( 1.642 0.000 -0.936) 1.890 5.940 ( 4.462 0.000 -3.289) 5.543 5.983 ( 2.429 0.000 -0.447) 2.470 6.009 ( 1.317 0.000 -2.662) 2.970 6.046 ( -1.138 0.000 -8.267) 8.345 6.264 ( 1.228 0.000 -0.260) 1.255 6.330 ( 1.652 0.000 1.216) 2.051 6.353 ( 0.823 0.000 1.363) 1.593 6.527 ( -4.009 0.000 -7.161) 8.207 6.881 ( 1.788 0.000 0.538) 1.868 6.981 ( 0.424 0.000 1.161) 1.236 7.027 ( 3.507 0.000 -5.582) 6.592 7.201 ( -0.573 0.000 -2.650) 2.711 7.379 ( 0.332 0.000 0.674) 0.752 7.427 ( 0.747 0.000 0.846) 1.129 7.587 ( 3.537 0.000 -3.934) 5.290 7.685 ( 2.044 0.000 -3.363) 3.935 7.865 ( 2.551 0.000 1.511) 2.965 7.886 ( -0.458 0.000 0.777) 0.902 7.899 ( -0.734 0.000 1.170) 1.381 7.995 ( -2.090 0.000 0.084) 2.091 8.610 ( -4.272 0.000 9.502) 10.418 8.736 ( -9.547 0.000 0.292) 9.552 8.823 ( -2.349 0.000 3.873) 4.530 9.103 ( 1.423 0.000 0.143) 1.431 9.140 ( 2.427 0.000 -3.121) 3.954 9.314 ( 5.504 0.000 -4.304) 6.987 9.352 ( -0.647 0.000 -1.786) 1.900 9.394 ( 3.399 0.000 -4.940) 5.997 9.495 ( 3.223 0.000 -9.033) 9.591 9.518 ( 2.161 0.000 11.344) 11.548 9.625 ( -0.811 0.000 0.989) 1.279 9.627 ( 3.408 0.000 2.286) 4.103 9.668 ( 0.686 0.000 -0.821) 1.069 9.720 ( 1.459 0.000 2.814) 3.169 9.911 ( -4.813 0.000 6.854) 8.375 10.081 ( 1.699 0.000 -3.429) 3.827 10.137 ( 7.707 0.000 5.422) 9.424 10.164 ( -3.287 0.000 5.091) 6.060 10.165 ( 3.185 0.000 -0.265) 3.196 10.383 ( 6.774 0.000 -1.298) 6.897 10.766 ( 0.372 0.000 8.363) 8.371 10.918 ( -1.890 0.000 -4.511) 4.891 11.075 ( 0.218 0.000 -9.565) 9.568 11.159 ( -7.530 0.000 2.268) 7.864 11.198 ( -3.711 0.000 6.950) 7.879 11.276 ( -1.164 0.000 -2.726) 2.964 11.566 ( 0.663 0.000 4.769) 4.815 11.736 ( -2.284 0.000 -0.600) 2.361 11.837 ( -0.657 0.000 13.179) 13.196 12.171 ( 3.977 0.000 4.266) 5.833 12.301 ( 2.674 0.000 -2.485) 3.651 12.331 ( 1.010 0.000 -2.933) 3.102 13.865 ( -0.018 0.000 1.598) 1.598 13.974 ( 0.141 0.000 -0.135) 0.195 14.018 ( 1.040 0.000 0.785) 1.303 14.189 ( 4.058 0.000 0.560) 4.097 14.595 ( -2.767 0.000 0.212) 2.775 14.724 ( -1.905 0.000 1.379) 2.352 14.728 ( -8.487 0.000 -13.189) 15.684 14.779 ( -5.376 0.000 -2.950) 6.132 15.716 ( -0.970 0.000 3.737) 3.861 15.963 ( 9.053 0.000 13.219) 16.022 16.032 ( 1.861 0.000 -3.994) 4.406 16.106 ( 2.558 0.000 -0.773) 2.672 18.689 ( 1.724 0.000 0.636) 1.837 18.692 ( 1.112 0.000 1.152) 1.601 19.010 ( 12.488 0.000 9.342) 15.595 19.308 ( 13.568 0.000 -4.758) 14.378 20.423 ( -0.864 0.000 -0.095) 0.869 20.470 ( -1.803 0.000 -2.261) 2.892 20.565 ( 0.831 0.000 -0.086) 0.836 20.610 ( 0.983 0.000 -0.556) 1.129 20.670 ( -4.439 0.000 -1.947) 4.847 20.748 ( -4.269 0.000 2.163) 4.785 20.986 ( -7.509 0.000 0.572) 7.531 21.048 ( -1.695 0.000 2.787) 3.263 21.062 ( 1.342 0.000 -2.749) 3.059 21.099 ( -4.282 0.000 3.862) 5.766 21.121 ( -6.736 0.000 -8.959) 11.209 21.265 ( 2.733 0.000 -4.037) 4.875 21.468 ( 0.122 0.000 0.971) 0.978 21.473 ( 0.425 0.000 0.432) 0.606 21.480 ( -0.190 0.000 0.011) 0.191 21.491 ( -2.122 0.000 -0.765) 2.256 21.672 ( 0.825 0.000 -1.893) 2.065 21.729 ( -7.405 0.000 2.283) 7.749 21.756 ( 1.168 0.000 -2.033) 2.345 21.835 ( -2.600 0.000 1.608) 3.057 21.880 ( -1.070 0.000 6.587) 6.673 22.357 ( 2.757 0.000 -3.594) 4.530 22.568 ( 10.230 0.000 8.516) 13.311 22.622 ( 4.576 0.000 -4.386) 6.339 ======================= Grid point 35 (19/42) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 8.414 15.862 18.491) 25.774 0.840 ( -2.884 21.698 15.720) 26.949 1.067 ( 1.076 -15.097 14.183) 20.742 1.270 ( -1.712 -3.624 17.356) 17.813 1.327 ( 0.798 13.589 19.909) 24.117 1.398 ( -8.329 4.793 7.872) 12.422 1.550 ( -6.347 -6.596 10.517) 13.943 1.757 ( -4.743 9.059 9.610) 14.033 1.858 ( -5.650 -7.597 6.477) 11.471 2.021 ( -5.456 2.806 -8.439) 10.434 2.087 ( -0.809 -2.776 -4.421) 5.283 2.130 ( -0.971 -5.496 2.906) 6.292 2.192 ( -4.022 -6.227 -6.908) 10.133 2.332 ( -2.562 0.982 3.137) 4.168 2.418 ( 0.083 -7.859 -3.689) 8.682 2.519 ( 4.617 6.069 1.571) 7.786 2.547 ( -1.661 -8.963 1.232) 9.198 2.660 ( 4.707 -1.543 -0.640) 4.995 2.738 ( 1.035 -0.977 -0.380) 1.473 2.763 ( 3.870 0.764 3.665) 5.385 2.818 ( -0.531 0.405 -0.588) 0.890 2.859 ( -4.162 3.469 0.330) 5.429 2.944 ( 4.842 0.836 3.598) 6.090 2.968 ( 1.066 -1.868 3.156) 3.819 2.992 ( -0.995 2.088 -1.058) 2.544 3.020 ( 1.609 -4.145 -2.222) 4.971 3.072 ( -1.898 -3.135 3.491) 5.061 3.122 ( -2.530 -6.301 0.734) 6.830 3.141 ( 1.938 -0.198 0.006) 1.949 3.153 ( -1.244 -0.735 1.248) 1.910 3.254 ( -2.136 2.045 -3.718) 4.751 3.286 ( 0.163 1.215 -2.426) 2.718 3.295 ( 1.319 -0.562 -3.540) 3.819 3.328 ( -2.444 -1.786 -3.614) 4.714 3.376 ( 1.331 -0.771 -3.413) 3.744 3.398 ( -0.174 -0.681 0.797) 1.063 3.413 ( 2.562 -1.021 -4.346) 5.147 3.448 ( 1.100 -0.694 0.491) 1.390 3.494 ( -7.228 3.912 -2.654) 8.637 3.597 ( 1.147 -0.834 -0.265) 1.443 3.613 ( 1.567 2.896 -0.254) 3.303 3.635 ( -3.186 4.807 -0.191) 5.770 3.684 ( 1.076 6.058 -1.469) 6.326 3.738 ( 3.627 3.821 1.741) 5.548 3.807 ( 2.493 5.451 2.135) 6.363 3.814 ( 0.758 -0.575 1.721) 1.967 3.833 ( 1.192 4.135 -1.516) 4.562 3.885 ( 0.727 2.660 2.022) 3.419 3.936 ( -3.053 -0.193 -0.429) 3.089 3.995 ( 1.059 5.459 -0.108) 5.562 4.028 ( -2.231 -7.264 2.096) 7.882 4.052 ( 4.022 -3.514 -1.171) 5.468 4.146 ( -2.086 -1.502 -1.988) 3.249 4.190 ( 1.910 -7.864 -3.685) 8.893 4.234 ( 3.213 5.715 -5.450) 8.525 4.325 ( -5.594 1.590 -1.117) 5.922 4.339 ( -2.084 0.903 -4.155) 4.735 4.380 ( -5.268 1.639 -0.931) 5.595 4.398 ( 0.869 -2.424 -0.224) 2.585 4.442 ( -0.072 1.615 -1.316) 2.085 4.514 ( 0.220 0.299 0.385) 0.535 4.538 ( 1.183 -4.228 -2.394) 5.001 4.597 ( -2.546 0.135 3.392) 4.243 4.636 ( -1.614 -1.513 5.107) 5.566 4.695 ( 0.157 -0.270 4.303) 4.315 4.706 ( 1.420 0.111 3.144) 3.451 4.767 ( -1.694 2.370 -1.667) 3.356 4.800 ( -0.537 1.413 -2.132) 2.614 4.847 ( 2.036 0.446 0.691) 2.196 4.896 ( 5.367 -0.962 0.124) 5.454 4.937 ( -1.215 1.075 -2.570) 3.039 4.968 ( 2.171 -1.259 -1.769) 3.071 5.037 ( -1.102 4.756 -4.185) 6.430 5.091 ( -1.842 -0.115 0.243) 1.862 5.102 ( -0.675 0.120 1.880) 2.001 5.165 ( -0.537 -2.596 -3.660) 4.520 5.200 ( -0.579 2.015 2.642) 3.373 5.256 ( -1.806 0.323 3.987) 4.389 5.302 ( 2.522 0.682 1.661) 3.096 5.336 ( 4.534 -0.215 1.340) 4.733 5.349 ( 2.088 -0.785 -0.367) 2.261 5.385 ( 2.692 -3.533 1.497) 4.687 5.494 ( 0.215 -0.620 0.091) 0.663 5.512 ( 1.146 -2.160 -0.056) 2.446 5.615 ( 2.707 0.143 -0.955) 2.874 5.637 ( 1.252 -2.137 -7.597) 7.991 5.812 ( -1.534 0.859 -2.695) 3.218 5.831 ( -1.347 -0.573 -4.577) 4.805 5.933 ( 0.039 0.045 -3.199) 3.200 5.966 ( 0.654 -2.127 -1.816) 2.872 6.062 ( -0.277 3.130 -3.228) 4.505 6.095 ( 1.924 1.141 -3.869) 4.469 6.289 ( 1.620 1.286 2.104) 2.950 6.325 ( -1.255 1.088 2.270) 2.812 6.328 ( 0.146 -1.710 2.233) 2.817 6.368 ( -0.160 -1.998 2.775) 3.423 6.903 ( -0.056 0.497 -0.719) 0.876 6.948 ( 0.092 -2.909 0.073) 2.912 7.102 ( 2.892 2.306 -5.217) 6.395 7.144 ( 0.424 -1.646 -3.072) 3.511 7.420 ( 1.259 1.003 2.130) 2.670 7.439 ( 0.728 -0.610 1.789) 2.025 7.638 ( 1.120 1.861 -3.703) 4.293 7.670 ( 0.891 -1.089 -3.779) 4.032 7.858 ( -1.356 0.491 -0.324) 1.478 7.883 ( -0.731 -1.515 0.599) 1.786 7.947 ( 0.082 2.166 -1.336) 2.547 7.974 ( 0.024 -0.643 -0.797) 1.025 8.615 ( -2.629 1.458 9.679) 10.135 8.647 ( -1.276 -1.324 10.149) 10.315 8.946 ( -0.360 7.546 -1.079) 7.631 9.076 ( 0.131 -4.232 -1.669) 4.551 9.179 ( 1.286 1.145 -2.399) 2.953 9.240 ( 1.237 -4.609 -3.334) 5.821 9.403 ( -0.119 1.591 -1.045) 1.907 9.422 ( 1.798 -0.579 -5.015) 5.359 9.470 ( 0.194 0.990 -0.654) 1.202 9.523 ( 1.321 -2.993 1.100) 3.452 9.674 ( -1.925 6.235 1.781) 6.764 9.722 ( 0.225 0.079 2.639) 2.650 9.745 ( 0.513 1.622 2.255) 2.825 9.823 ( 1.676 -1.181 -1.648) 2.631 9.906 ( 0.130 3.068 1.177) 3.288 9.993 ( -1.018 -4.511 -3.622) 5.874 10.109 ( -0.835 -0.647 2.598) 2.805 10.148 ( 0.085 -3.844 -2.004) 4.336 10.367 ( 1.339 5.766 -5.146) 7.844 10.487 ( 3.016 -4.761 -2.649) 6.227 10.869 ( 0.634 3.357 4.437) 5.600 10.914 ( 2.915 -0.923 -0.853) 3.175 11.037 ( -0.824 1.753 -2.158) 2.900 11.063 ( -3.246 0.113 1.352) 3.518 11.194 ( 0.007 0.412 3.365) 3.391 11.277 ( 0.868 -5.329 -2.618) 6.001 11.568 ( -6.004 -0.014 -1.768) 6.259 11.592 ( -2.596 -1.387 -3.876) 4.867 11.867 ( -5.794 0.631 12.867) 14.125 11.904 ( -5.169 -2.736 12.721) 14.001 12.326 ( 0.822 0.494 -2.201) 2.401 12.336 ( 1.380 -0.305 -2.225) 2.636 13.985 ( 0.611 1.561 0.309) 1.704 14.015 ( 0.838 -0.686 1.239) 1.646 14.094 ( -3.444 8.148 -6.117) 10.755 14.195 ( -1.954 -2.291 -3.107) 4.327 14.599 ( 1.084 1.773 0.640) 2.174 14.638 ( 5.555 -1.787 0.161) 5.838 14.707 ( 1.782 0.524 -0.078) 1.859 14.716 ( 1.897 -0.326 -0.192) 1.934 15.749 ( -1.376 2.552 5.250) 5.997 15.854 ( -2.341 -8.502 8.082) 11.961 16.114 ( 0.466 1.662 -2.957) 3.424 16.155 ( -0.119 -1.612 -2.258) 2.777 18.772 ( -0.051 4.688 0.555) 4.721 18.844 ( -0.278 0.783 -3.687) 3.779 19.426 ( 2.657 3.800 -9.918) 10.949 19.471 ( 2.154 0.414 -9.448) 9.700 20.448 ( 2.578 0.965 2.491) 3.712 20.481 ( 7.438 -2.277 2.914) 8.307 20.597 ( 1.052 0.844 -0.255) 1.373 20.618 ( 1.048 -1.050 -0.498) 1.564 20.658 ( 3.111 0.854 -2.493) 4.077 20.672 ( 2.164 -0.579 -2.435) 3.309 20.783 ( -11.213 -0.118 1.759) 11.351 20.786 ( -10.596 -0.220 1.722) 10.737 21.047 ( 0.768 1.290 -0.851) 1.726 21.075 ( 1.795 -1.231 -1.364) 2.568 21.203 ( 4.029 5.124 -4.065) 7.682 21.273 ( 3.589 -1.920 -4.453) 6.032 21.443 ( -1.555 0.043 -0.866) 1.780 21.451 ( -0.700 -0.511 -1.368) 1.620 21.478 ( -0.080 0.286 0.391) 0.491 21.486 ( 0.056 -0.327 0.253) 0.418 21.618 ( -7.130 5.097 3.606) 9.478 21.694 ( -2.182 -1.559 0.730) 2.779 21.764 ( 0.487 0.939 1.332) 1.701 21.789 ( 0.350 -0.441 0.565) 0.798 21.952 ( -1.232 3.787 10.458) 11.191 22.134 ( -3.521 -14.182 13.667) 20.008 22.588 ( -1.150 1.492 -3.461) 3.941 22.640 ( 1.590 -2.630 -3.234) 4.462 ======================= Grid point 36 (20/42) ======================= q-point: ( 0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 6.060 12.740 21.759) 25.932 1.119 ( 11.866 16.351 16.180) 25.884 1.280 ( 4.154 -8.947 16.246) 19.007 1.343 ( 0.273 5.600 2.546) 6.158 1.477 ( 10.901 -15.929 11.308) 22.371 1.551 ( 0.854 -8.800 4.048) 9.724 1.676 ( 14.272 5.568 10.990) 18.855 1.745 ( -1.171 1.100 -3.571) 3.916 1.839 ( -2.567 -0.083 -4.981) 5.604 1.964 ( 13.435 13.025 14.353) 23.583 2.038 ( 7.951 -7.001 -7.385) 12.914 2.196 ( 5.932 5.700 -0.184) 8.228 2.238 ( 4.341 7.068 -0.696) 8.324 2.349 ( 2.214 -4.024 2.971) 5.470 2.469 ( 4.074 -9.789 0.789) 10.632 2.562 ( 2.827 -9.986 2.257) 10.621 2.671 ( 8.028 0.703 -2.563) 8.456 2.695 ( -4.128 3.460 -0.433) 5.404 2.753 ( -0.017 5.969 3.138) 6.744 2.796 ( 1.957 2.784 -1.250) 3.625 2.806 ( -1.419 1.325 -0.210) 1.952 2.828 ( -1.145 -7.824 1.675) 8.083 2.936 ( -5.509 -0.843 0.243) 5.579 2.951 ( -1.278 -4.101 1.256) 4.475 2.984 ( -2.096 -0.978 4.085) 4.695 3.045 ( -0.987 -7.520 -1.254) 7.687 3.108 ( 4.246 2.291 2.401) 5.389 3.115 ( -3.414 1.689 -0.942) 3.924 3.152 ( -1.149 2.119 2.397) 3.400 3.170 ( 3.307 -2.568 0.757) 4.255 3.197 ( 2.431 -4.001 3.162) 5.649 3.217 ( -2.336 -2.463 -1.135) 3.579 3.290 ( 0.199 1.290 0.333) 1.347 3.340 ( 1.619 -2.469 0.725) 3.040 3.353 ( 1.796 3.139 -4.282) 5.605 3.376 ( 0.181 0.618 -1.193) 1.355 3.423 ( 4.028 -2.729 -2.654) 5.542 3.457 ( -0.479 -2.541 -5.191) 5.799 3.497 ( 0.287 0.837 1.077) 1.394 3.538 ( 4.204 -1.356 0.994) 4.528 3.597 ( -4.264 5.334 1.568) 7.007 3.704 ( 2.805 2.787 -2.835) 4.865 3.736 ( -0.888 3.391 2.135) 4.105 3.745 ( -2.611 1.434 -0.743) 3.070 3.777 ( -2.499 1.296 1.868) 3.379 3.833 ( -4.146 -1.181 -2.899) 5.196 3.851 ( -1.227 3.324 3.411) 4.918 3.873 ( -0.707 -0.722 -1.976) 2.220 3.926 ( 1.197 -0.481 4.818) 4.988 3.959 ( -0.123 5.008 -1.197) 5.150 4.033 ( -0.838 -1.107 -3.231) 3.517 4.079 ( -6.845 0.333 0.414) 6.866 4.096 ( 0.596 0.584 -3.848) 3.937 4.110 ( -2.097 -3.220 -5.194) 6.461 4.181 ( -3.689 -0.889 -3.124) 4.915 4.223 ( -2.062 4.866 1.776) 5.575 4.269 ( 1.176 -2.075 -5.141) 5.667 4.342 ( -1.701 4.616 0.485) 4.944 4.364 ( 0.693 2.180 2.650) 3.501 4.438 ( -2.035 7.776 -1.726) 8.221 4.482 ( -1.137 -4.226 0.272) 4.384 4.552 ( -1.253 -1.371 1.142) 2.180 4.607 ( 0.110 -0.481 -1.432) 1.514 4.623 ( -0.970 -1.787 1.890) 2.776 4.672 ( -0.042 0.144 2.900) 2.904 4.689 ( -3.694 -1.144 -0.268) 3.876 4.717 ( -2.223 -0.755 -2.368) 3.334 4.743 ( -2.394 0.493 -2.253) 3.324 4.912 ( 2.861 3.011 -0.494) 4.182 4.928 ( 0.631 0.016 0.321) 0.708 4.957 ( -0.385 -1.708 -0.003) 1.751 5.011 ( 0.685 4.121 -1.269) 4.366 5.018 ( 0.023 -4.347 1.209) 4.512 5.061 ( -0.587 0.079 -0.775) 0.975 5.099 ( 0.953 -1.869 -1.245) 2.440 5.148 ( 0.909 -5.381 -1.514) 5.664 5.197 ( -0.949 2.831 1.854) 3.514 5.261 ( -1.459 0.077 4.003) 4.262 5.307 ( -2.400 2.240 -0.823) 3.384 5.347 ( -0.286 -0.357 -0.998) 1.097 5.379 ( 1.423 2.028 -0.963) 2.658 5.447 ( 1.831 -1.995 -0.618) 2.777 5.482 ( 0.995 4.330 1.427) 4.667 5.564 ( 0.512 0.622 0.593) 1.001 5.630 ( 2.705 -1.051 -5.011) 5.791 5.722 ( 4.528 -8.260 -2.608) 9.774 5.736 ( -1.587 0.002 -5.159) 5.398 5.770 ( -0.935 -2.604 -5.778) 6.406 5.909 ( -1.364 2.526 -1.030) 3.050 5.961 ( -1.516 -1.456 0.589) 2.183 6.021 ( -1.184 1.520 -3.623) 4.103 6.074 ( -0.443 -2.070 -4.173) 4.679 6.304 ( -1.554 2.252 1.546) 3.143 6.340 ( 0.321 2.019 -0.297) 2.066 6.346 ( 0.115 -1.371 2.315) 2.693 6.383 ( -0.842 -2.055 1.485) 2.672 6.881 ( -1.597 1.221 -0.860) 2.187 6.941 ( -0.797 -3.766 0.758) 3.923 7.111 ( 1.649 1.392 -5.215) 5.644 7.135 ( 0.890 -0.785 -2.779) 3.021 7.464 ( 0.500 1.023 1.725) 2.066 7.473 ( 1.469 0.065 3.194) 3.516 7.619 ( -0.219 1.561 -4.180) 4.467 7.649 ( -0.538 -1.072 -4.713) 4.863 7.823 ( -2.105 -0.028 1.064) 2.358 7.846 ( -3.076 -1.586 1.590) 3.809 7.954 ( 1.561 1.392 -1.230) 2.426 7.974 ( 1.009 -0.568 -1.322) 1.757 8.638 ( -2.295 2.521 9.383) 9.983 8.695 ( -1.474 -2.758 8.453) 9.013 8.941 ( 0.377 5.765 -0.572) 5.806 9.048 ( -1.088 -3.514 -3.165) 4.853 9.174 ( -0.800 1.063 -0.487) 1.417 9.239 ( 0.496 -4.698 -2.188) 5.206 9.374 ( -0.610 1.915 -3.961) 4.442 9.405 ( 0.895 -1.683 -7.143) 7.393 9.464 ( -0.580 2.163 -0.055) 2.240 9.529 ( -2.169 -3.170 3.238) 5.024 9.651 ( -2.297 4.142 3.030) 5.622 9.683 ( -3.373 1.752 0.416) 3.824 9.747 ( -0.246 3.705 -0.282) 3.724 9.864 ( 0.890 -3.500 0.724) 3.683 9.926 ( 1.175 1.398 -0.299) 1.850 9.952 ( -0.865 -2.636 -2.820) 3.955 10.101 ( -2.702 -1.907 1.891) 3.809 10.117 ( -4.196 -3.366 2.608) 5.978 10.277 ( -3.954 8.311 -1.640) 9.348 10.423 ( -5.157 -5.156 -1.196) 7.390 10.915 ( 2.388 3.377 1.379) 4.360 10.972 ( 1.647 -1.912 3.870) 4.620 11.021 ( 2.583 2.489 -5.257) 6.364 11.063 ( 1.366 -0.721 3.629) 3.944 11.227 ( -0.475 -0.698 0.632) 1.054 11.250 ( 1.595 -3.022 6.421) 7.274 11.505 ( 1.052 5.121 -2.284) 5.705 11.590 ( 3.171 -2.814 -6.670) 7.903 11.883 ( -1.207 0.963 10.084) 10.201 11.908 ( -2.645 -1.166 8.701) 9.169 12.317 ( -0.251 1.002 -2.078) 2.321 12.337 ( 0.288 -0.748 -2.178) 2.321 13.965 ( -3.187 4.763 -0.286) 5.738 14.013 ( 0.172 3.866 0.093) 3.871 14.038 ( -1.074 -2.429 2.056) 3.359 14.099 ( -4.116 -2.981 -1.453) 5.286 14.621 ( 1.003 1.450 -0.564) 1.851 14.662 ( 1.110 -2.356 -0.905) 2.757 14.793 ( 5.692 3.804 -1.174) 6.946 14.876 ( 8.764 -3.725 -4.336) 10.464 15.751 ( -1.983 2.301 4.915) 5.778 15.833 ( -4.713 -5.564 7.007) 10.113 16.073 ( -1.594 2.581 -2.990) 4.260 16.117 ( -1.694 -1.457 -1.348) 2.610 18.748 ( -2.601 3.596 0.750) 4.501 18.791 ( -2.816 1.711 -1.262) 3.528 19.170 ( -15.965 4.208 -0.301) 16.513 19.261 ( -12.994 -2.837 -5.293) 14.314 20.512 ( 0.897 1.508 1.937) 2.614 20.541 ( -1.080 -1.007 -0.083) 1.479 20.577 ( -3.691 0.611 -0.921) 3.853 20.586 ( -4.867 -0.170 -2.293) 5.383 20.657 ( 4.230 2.140 -0.986) 4.842 20.747 ( 6.519 -5.935 2.046) 9.050 20.826 ( 7.114 -0.346 -0.577) 7.146 20.828 ( 8.751 -1.052 -2.644) 9.202 21.084 ( 3.315 1.976 -0.468) 3.887 21.112 ( 1.846 -0.771 0.709) 2.122 21.266 ( 3.572 5.430 -4.044) 7.655 21.327 ( 5.021 -1.064 -4.316) 6.706 21.413 ( -0.641 0.593 1.294) 1.561 21.435 ( -0.307 -0.847 0.037) 0.902 21.493 ( 1.669 0.199 0.591) 1.782 21.501 ( 1.248 -0.342 1.126) 1.715 21.564 ( -1.469 3.076 1.762) 3.837 21.649 ( -1.511 -4.199 -0.097) 4.464 21.804 ( 2.192 2.470 1.547) 3.647 21.839 ( 2.697 -0.770 1.811) 3.338 21.994 ( -0.974 3.404 7.533) 8.324 22.134 ( -3.456 -10.000 6.391) 12.361 22.514 ( -2.813 5.961 -3.845) 7.630 22.622 ( -1.673 -4.086 -2.316) 4.986 ======================= Grid point 37 (21/42) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 7.566 7.405 20.862) 23.394 1.351 ( 5.203 10.060 3.068) 11.734 1.400 ( 7.282 8.849 -1.259) 11.529 1.505 ( 2.794 -7.130 17.135) 18.768 1.590 ( 3.237 -5.775 -1.585) 6.808 1.631 ( 3.003 -8.653 -0.135) 9.160 1.762 ( 7.459 2.637 -0.919) 7.964 1.942 ( 10.719 -10.008 7.095) 16.291 2.046 ( 14.555 3.359 6.890) 16.450 2.189 ( 9.042 -3.699 -3.501) 10.378 2.311 ( 7.208 -1.106 -0.112) 7.293 2.321 ( 4.497 5.519 0.299) 7.126 2.429 ( 4.466 2.412 0.260) 5.082 2.466 ( 6.919 3.519 6.162) 9.911 2.592 ( -0.057 4.590 2.168) 5.076 2.612 ( 6.734 2.384 2.053) 7.433 2.645 ( 9.864 1.384 -0.777) 9.991 2.712 ( -1.896 0.216 0.893) 2.107 2.724 ( -0.947 -0.280 -4.851) 4.950 2.752 ( -2.319 -3.574 0.546) 4.295 2.778 ( -4.839 -4.694 1.824) 6.984 2.832 ( -2.591 -3.871 0.405) 4.676 2.900 ( 1.025 2.914 3.201) 4.448 2.950 ( -1.554 1.139 0.409) 1.970 2.986 ( 0.201 -0.274 2.836) 2.856 3.016 ( 2.089 -5.282 3.724) 6.792 3.096 ( 2.283 -0.706 1.284) 2.713 3.128 ( -4.339 1.666 3.891) 6.062 3.159 ( 1.424 -5.777 1.178) 6.065 3.180 ( -1.463 -0.671 1.200) 2.007 3.269 ( -3.508 1.134 2.732) 4.589 3.273 ( -0.581 4.006 -0.052) 4.048 3.314 ( 4.152 -2.007 5.522) 7.195 3.345 ( -0.232 -0.159 -0.213) 0.353 3.375 ( -1.637 0.357 -2.073) 2.665 3.422 ( 1.898 -3.128 1.590) 3.990 3.460 ( 2.784 1.763 0.462) 3.328 3.505 ( 0.191 4.524 2.915) 5.385 3.516 ( 1.090 -2.809 -0.636) 3.079 3.550 ( 0.978 0.787 1.016) 1.615 3.581 ( -3.521 -0.766 0.641) 3.660 3.625 ( 0.626 1.330 -3.927) 4.193 3.665 ( 0.361 0.131 0.901) 0.979 3.679 ( -3.810 -2.130 1.827) 4.733 3.734 ( -1.104 -6.479 -0.049) 6.573 3.764 ( -4.073 -4.787 -7.837) 10.046 3.811 ( 1.444 5.085 -2.205) 5.727 3.887 ( 0.600 -0.475 1.772) 1.930 3.893 ( -3.792 1.473 -5.172) 6.580 3.952 ( -3.985 -1.632 -0.800) 4.380 3.964 ( 0.739 2.968 3.754) 4.842 4.053 ( 3.624 0.806 0.798) 3.797 4.077 ( 1.274 -1.392 -3.565) 4.034 4.107 ( 3.789 -4.345 -4.476) 7.298 4.135 ( -0.193 6.128 0.492) 6.151 4.186 ( -1.175 0.428 -1.502) 1.955 4.285 ( 2.938 6.014 -3.791) 7.693 4.305 ( -0.341 4.744 -3.067) 5.659 4.398 ( 1.805 1.416 -2.967) 3.750 4.417 ( -0.957 0.912 2.942) 3.225 4.475 ( -1.488 -0.574 0.412) 1.647 4.542 ( 2.147 -2.127 0.377) 3.045 4.584 ( 0.971 2.360 -0.594) 2.620 4.610 ( -3.202 -0.880 2.741) 4.306 4.649 ( -1.987 -0.041 0.316) 2.013 4.663 ( -0.609 1.456 -1.331) 2.065 4.691 ( -0.330 1.781 -0.545) 1.892 4.734 ( 1.620 -3.570 1.212) 4.104 4.860 ( -5.559 -1.959 -1.513) 6.085 4.896 ( -2.266 -0.772 0.402) 2.427 4.931 ( -3.620 -1.771 1.107) 4.179 4.978 ( -1.140 0.072 -2.091) 2.382 5.017 ( -0.331 3.005 -1.235) 3.265 5.080 ( -1.509 -0.481 -0.512) 1.664 5.096 ( -0.190 -0.033 -0.644) 0.672 5.154 ( -0.266 -2.995 -0.489) 3.046 5.181 ( -0.297 -1.656 -0.627) 1.795 5.241 ( -1.319 -1.636 0.947) 2.305 5.284 ( -0.442 2.736 1.548) 3.174 5.345 ( -0.028 -1.964 -0.489) 2.025 5.388 ( 0.649 1.424 -1.857) 2.429 5.451 ( 1.047 -3.102 -1.403) 3.562 5.491 ( -0.665 7.048 -1.258) 7.190 5.575 ( 0.374 2.299 -3.009) 3.806 5.639 ( -0.103 2.110 -3.422) 4.022 5.674 ( -0.949 1.074 -4.185) 4.424 5.709 ( -2.629 -2.404 -0.941) 3.685 5.725 ( -0.352 -3.562 -3.821) 5.236 5.873 ( -1.770 -0.308 -0.792) 1.963 5.898 ( -4.374 -2.747 -0.649) 5.206 5.966 ( -2.158 0.772 -3.157) 3.901 6.016 ( -2.529 -2.224 -4.165) 5.356 6.273 ( -2.229 2.010 -0.326) 3.019 6.311 ( -1.759 0.622 0.592) 1.957 6.343 ( -2.622 -0.297 1.509) 3.040 6.382 ( 0.334 -2.095 2.796) 3.510 6.840 ( -1.839 3.550 0.018) 3.998 6.932 ( -0.797 -4.414 1.225) 4.650 7.099 ( 0.889 1.675 -4.901) 5.255 7.138 ( 1.526 -1.869 -3.745) 4.455 7.470 ( -0.527 1.665 0.139) 1.752 7.502 ( -0.546 -1.241 0.621) 1.492 7.568 ( -2.080 1.288 -3.334) 4.135 7.578 ( -2.921 0.450 -4.169) 5.110 7.786 ( -2.846 0.194 3.137) 4.240 7.807 ( -2.510 -1.372 3.646) 4.634 7.983 ( 2.282 1.532 -1.526) 3.144 8.013 ( 3.175 -0.994 -0.547) 3.372 8.657 ( -2.091 1.796 8.822) 9.242 8.707 ( -2.452 -2.989 7.083) 8.069 8.948 ( 0.227 3.558 0.244) 3.573 8.999 ( -1.178 -1.453 -2.727) 3.307 9.148 ( -1.443 2.400 0.338) 2.821 9.224 ( -0.206 -4.172 -2.727) 4.989 9.346 ( 0.037 0.770 -1.698) 1.865 9.364 ( 0.435 -2.045 -6.926) 7.234 9.451 ( -0.614 0.847 0.060) 1.048 9.495 ( -2.992 -2.670 2.985) 4.999 9.612 ( -2.652 3.053 1.264) 4.237 9.651 ( -0.911 0.982 1.799) 2.243 9.747 ( 0.941 4.771 -1.108) 4.988 9.867 ( -0.489 -0.427 -0.316) 0.722 9.898 ( -2.500 -1.736 -1.368) 3.336 9.937 ( 0.220 -0.641 -2.192) 2.294 9.996 ( -6.090 1.585 3.671) 7.285 10.071 ( -3.212 -3.852 3.373) 6.044 10.259 ( 0.974 4.030 -0.133) 4.148 10.349 ( -1.628 -3.727 -0.200) 4.072 10.969 ( 2.338 2.798 -1.840) 4.084 11.021 ( 1.387 -1.751 1.347) 2.608 11.071 ( 4.543 2.773 -2.299) 5.798 11.139 ( 3.678 -3.062 1.326) 4.966 11.275 ( 3.556 2.273 1.219) 4.393 11.340 ( 2.355 -3.859 6.317) 7.768 11.527 ( 1.426 3.861 0.698) 4.174 11.591 ( 1.023 -2.109 -4.345) 4.937 11.917 ( -1.376 0.845 5.872) 6.090 11.940 ( -0.107 -1.109 7.034) 7.122 12.287 ( -0.975 1.477 -2.456) 3.027 12.318 ( -0.424 -1.210 -2.476) 2.789 13.914 ( -2.193 2.615 0.946) 3.541 13.977 ( -3.998 -2.829 -0.252) 4.904 14.020 ( 0.068 2.453 0.221) 2.463 14.065 ( -0.996 -1.412 1.692) 2.419 14.647 ( 2.004 1.513 -0.491) 2.559 14.696 ( 2.319 -3.109 -0.205) 3.885 14.878 ( 3.937 4.674 -2.287) 6.525 14.964 ( 3.927 -3.162 -4.623) 6.840 15.743 ( -2.009 1.535 4.234) 4.931 15.788 ( -3.962 -2.487 5.511) 7.229 16.029 ( -0.684 2.129 -2.803) 3.586 16.072 ( -1.755 -1.679 -1.432) 2.820 18.693 ( -3.127 2.265 0.827) 3.948 18.725 ( -3.225 0.576 0.154) 3.280 18.904 ( -10.841 2.373 0.857) 11.131 18.979 ( -11.343 -3.364 -2.539) 12.100 20.504 ( -0.870 0.122 -2.040) 2.221 20.508 ( -1.122 -0.170 -2.289) 2.555 20.529 ( -0.471 0.829 1.452) 1.737 20.547 ( -0.350 -0.795 0.688) 1.108 20.747 ( 4.670 3.994 -0.198) 6.148 20.856 ( 2.888 -5.489 1.028) 6.287 20.930 ( 4.571 0.968 -0.574) 4.707 20.963 ( 6.471 -2.675 -1.906) 7.257 21.141 ( 1.034 0.549 1.766) 2.119 21.152 ( 1.612 0.052 1.479) 2.188 21.273 ( 0.016 6.597 -1.691) 6.810 21.371 ( 0.926 -2.364 -1.641) 3.023 21.432 ( 0.993 -0.434 0.897) 1.407 21.438 ( 0.096 -0.789 0.891) 1.195 21.523 ( -0.957 0.861 2.840) 3.118 21.557 ( 1.876 -1.573 1.841) 3.064 21.571 ( 2.725 3.431 -2.199) 4.903 21.662 ( 4.826 -3.829 -3.681) 7.176 21.863 ( 2.136 2.493 2.205) 3.955 21.907 ( 2.450 -1.389 2.154) 3.545 22.024 ( -0.215 1.949 4.338) 4.761 22.104 ( -2.264 -5.947 2.267) 6.756 22.429 ( -2.792 6.514 -3.850) 8.065 22.543 ( -4.094 -3.917 -2.688) 6.271 ======================= Grid point 38 (22/42) ======================= q-point: ( 0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 8.166 3.308 -1.332) 8.911 1.531 ( 7.711 1.893 1.029) 8.006 1.596 ( 8.765 2.327 3.596) 9.755 1.640 ( 4.630 2.161 13.176) 14.132 1.708 ( 4.412 -2.791 9.445) 10.792 1.774 ( 4.553 -7.682 8.269) 12.171 1.945 ( 6.318 3.686 4.217) 8.443 2.040 ( -2.250 -4.400 -1.868) 5.283 2.213 ( -3.143 4.388 1.123) 5.513 2.296 ( 0.641 -2.290 2.890) 3.743 2.387 ( 3.957 6.793 0.988) 7.923 2.449 ( 1.398 1.492 3.306) 3.887 2.501 ( 2.840 -0.810 3.899) 4.891 2.538 ( -0.276 0.148 -3.602) 3.615 2.592 ( 1.512 0.550 1.251) 2.038 2.632 ( -3.358 -2.333 1.552) 4.373 2.646 ( 2.394 -0.699 -1.489) 2.905 2.675 ( 1.432 -2.215 1.152) 2.878 2.769 ( 2.180 0.029 1.278) 2.527 2.790 ( -0.596 -0.095 1.580) 1.691 2.841 ( 2.108 0.680 1.030) 2.442 2.887 ( 1.157 -1.266 -0.248) 1.733 2.938 ( -0.051 -2.673 0.487) 2.718 2.955 ( 5.106 -3.910 2.167) 6.786 2.986 ( 1.371 1.444 1.970) 2.801 3.035 ( -2.445 -0.293 1.177) 2.729 3.089 ( -5.024 -0.276 2.789) 5.753 3.101 ( -3.643 2.648 0.568) 4.539 3.120 ( -3.005 -0.495 1.527) 3.407 3.160 ( -5.345 1.055 3.054) 6.245 3.206 ( -4.595 -1.859 0.060) 4.957 3.218 ( -1.713 -5.196 1.410) 5.649 3.309 ( 0.242 4.733 6.247) 7.842 3.315 ( 0.351 4.699 0.924) 4.802 3.385 ( -1.853 5.031 1.121) 5.477 3.444 ( 0.732 -2.987 1.130) 3.277 3.468 ( -2.895 4.265 -0.132) 5.157 3.498 ( -3.043 0.569 2.495) 3.976 3.524 ( 1.262 -1.054 4.963) 5.228 3.553 ( -0.222 -3.467 1.957) 3.988 3.577 ( -0.070 -3.187 -0.359) 3.208 3.614 ( -0.710 1.480 -4.675) 4.955 3.659 ( -1.448 -3.460 -4.077) 5.540 3.688 ( -1.729 -6.865 -3.386) 7.847 3.704 ( 3.229 0.373 -0.386) 3.273 3.747 ( 0.038 -1.102 -3.881) 4.035 3.832 ( 7.825 2.086 -2.908) 8.604 3.908 ( 5.080 -3.231 -3.037) 6.743 3.943 ( 3.498 2.206 -1.888) 4.546 3.959 ( 5.952 2.350 1.563) 6.587 4.021 ( 2.847 2.551 1.196) 4.006 4.081 ( 0.785 1.336 -0.042) 1.550 4.101 ( 1.658 -1.491 -3.165) 3.871 4.161 ( 1.811 -3.345 -4.308) 5.747 4.184 ( 5.068 1.340 0.150) 5.245 4.228 ( 3.776 -3.152 1.671) 5.195 4.286 ( 3.823 0.286 -1.082) 3.984 4.307 ( 3.672 -1.611 -3.323) 5.208 4.425 ( 1.438 2.287 -3.928) 4.767 4.451 ( 3.318 3.870 -2.204) 5.554 4.490 ( 1.817 2.679 1.434) 3.540 4.535 ( -3.668 0.512 -1.191) 3.890 4.562 ( 0.764 2.896 -0.014) 2.995 4.602 ( -1.533 1.707 2.055) 3.080 4.613 ( -2.539 1.602 1.213) 3.238 4.652 ( -2.268 0.151 1.615) 2.788 4.665 ( -3.363 0.537 0.895) 3.521 4.720 ( -1.170 -5.262 -0.298) 5.399 4.786 ( -1.479 3.271 -0.250) 3.599 4.850 ( -2.245 1.131 0.220) 2.523 4.879 ( -2.627 -1.723 0.682) 3.214 4.923 ( -1.758 -0.307 -1.261) 2.185 4.977 ( -3.688 2.188 -1.629) 4.587 5.020 ( -4.341 -4.992 -0.550) 6.638 5.044 ( -0.836 4.742 -1.177) 4.957 5.132 ( -0.740 1.160 0.660) 1.526 5.191 ( 0.303 -5.809 -0.314) 5.825 5.246 ( 0.566 -1.296 0.048) 1.415 5.287 ( -0.297 -0.502 -2.722) 2.784 5.339 ( 0.420 -2.952 -0.543) 3.031 5.378 ( 0.348 1.832 -0.405) 1.908 5.436 ( -2.188 2.563 -0.545) 3.414 5.489 ( 2.185 2.400 -2.167) 3.903 5.551 ( -0.679 4.196 -2.235) 4.802 5.589 ( 0.341 -0.232 -2.184) 2.223 5.624 ( -0.697 -0.495 -3.176) 3.289 5.669 ( -3.263 -3.607 -1.426) 5.068 5.671 ( -2.425 -2.364 -0.679) 3.454 5.802 ( -2.249 -0.107 -0.946) 2.442 5.833 ( -2.311 -1.913 -0.753) 3.092 5.893 ( -2.648 1.438 -1.516) 3.373 5.942 ( -0.868 -2.052 -4.524) 5.043 6.225 ( -1.747 2.468 -0.596) 3.082 6.291 ( -0.192 -3.061 0.028) 3.067 6.312 ( -2.203 4.368 2.050) 5.305 6.398 ( -1.001 -3.344 2.390) 4.231 6.813 ( -1.033 5.253 0.296) 5.361 6.926 ( -0.753 -4.588 1.245) 4.813 7.080 ( 0.984 2.189 -5.339) 5.854 7.138 ( 1.489 -3.023 -4.446) 5.578 7.452 ( -0.498 0.964 -1.713) 2.028 7.470 ( -1.134 -0.777 -2.322) 2.698 7.489 ( -2.255 1.436 -3.775) 4.626 7.504 ( -2.144 0.173 -3.214) 3.868 7.766 ( -2.146 0.607 4.846) 5.335 7.793 ( -2.161 -1.708 5.571) 6.215 8.020 ( 2.112 2.867 -1.163) 3.746 8.070 ( 2.313 -1.586 0.154) 2.809 8.686 ( -1.339 0.261 8.701) 8.807 8.709 ( -2.371 -2.187 7.094) 7.793 8.944 ( -0.687 2.973 0.692) 3.129 8.982 ( 0.398 -0.860 -0.079) 0.951 9.130 ( -0.472 2.876 0.130) 2.917 9.200 ( -0.130 -3.115 -2.455) 3.968 9.330 ( 1.279 -1.060 -5.877) 6.107 9.350 ( 0.409 -1.757 -0.303) 1.829 9.441 ( 0.103 0.199 -1.498) 1.514 9.468 ( -1.615 -2.111 2.597) 3.716 9.585 ( -0.819 2.930 1.122) 3.243 9.644 ( -1.428 -2.188 2.413) 3.557 9.757 ( 0.913 5.336 -3.151) 6.264 9.821 ( -3.142 2.919 -1.513) 4.548 9.856 ( -2.160 0.527 2.009) 2.997 9.913 ( 0.099 -2.258 -2.001) 3.019 9.970 ( -0.185 1.232 4.219) 4.399 10.042 ( -1.098 -3.996 1.569) 4.432 10.273 ( 0.415 2.447 -0.781) 2.602 10.330 ( -0.402 -2.428 -1.008) 2.660 10.966 ( -0.608 3.510 -3.481) 4.981 11.044 ( 0.768 -3.317 -2.103) 4.002 11.145 ( 4.295 2.615 -2.490) 5.611 11.214 ( 3.775 -3.785 -0.949) 5.429 11.358 ( 2.609 2.829 3.400) 5.135 11.421 ( 1.009 -3.355 6.225) 7.143 11.560 ( 0.440 1.871 2.601) 3.234 11.581 ( -0.228 -0.318 -0.234) 0.456 11.927 ( -1.295 1.886 4.164) 4.751 11.976 ( -0.711 -2.364 4.993) 5.570 12.252 ( -0.399 2.021 -3.047) 3.678 12.292 ( -0.138 -1.546 -2.723) 3.134 13.890 ( -1.103 0.662 1.497) 1.974 13.911 ( -2.487 -1.214 0.608) 2.833 14.018 ( -0.133 1.806 -0.442) 1.864 14.052 ( -1.174 -1.208 0.662) 1.810 14.687 ( 1.671 1.661 0.736) 2.469 14.739 ( 1.520 -3.160 0.770) 3.590 14.922 ( 2.447 3.815 -2.763) 5.308 14.987 ( 1.871 -2.188 -4.087) 4.999 15.734 ( -1.670 0.849 3.711) 4.157 15.756 ( -2.743 -1.046 4.235) 5.153 16.004 ( 0.237 1.186 -2.800) 3.050 16.031 ( -0.913 -1.109 -2.183) 2.613 18.646 ( -1.986 1.284 0.667) 2.457 18.673 ( -1.955 -0.741 0.365) 2.122 18.746 ( -5.132 1.573 -0.328) 5.377 18.787 ( -6.421 -1.703 -1.683) 6.853 20.486 ( 0.198 0.134 -0.934) 0.964 20.493 ( 0.411 -0.457 -0.597) 0.857 20.533 ( -0.213 0.493 1.017) 1.150 20.544 ( -0.414 -0.498 0.382) 0.752 20.836 ( 3.944 2.653 0.956) 4.849 20.897 ( 1.285 -2.790 0.627) 3.135 21.005 ( 3.098 1.507 -0.532) 3.486 21.051 ( 3.119 -2.509 -1.095) 4.150 21.162 ( -0.737 0.884 2.565) 2.811 21.180 ( 0.173 -0.229 2.044) 2.064 21.263 ( 0.416 4.492 -1.754) 4.840 21.353 ( -1.714 -3.306 -0.257) 3.732 21.442 ( -0.377 -0.442 0.964) 1.125 21.452 ( 0.401 -1.521 0.985) 1.856 21.509 ( -1.021 2.170 0.344) 2.423 21.573 ( 0.406 -3.804 -1.269) 4.030 21.635 ( 3.630 6.400 -0.783) 7.399 21.749 ( 4.148 -3.635 -0.658) 5.554 21.904 ( 0.211 2.011 1.153) 2.327 21.953 ( 0.699 -2.169 0.683) 2.379 22.046 ( 0.226 0.378 1.430) 1.496 22.087 ( -0.934 -3.186 2.214) 3.990 22.360 ( -1.103 5.522 -3.396) 6.576 22.447 ( -2.577 -2.384 -3.115) 4.694 ======================= Grid point 39 (23/42) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 3.560 1.603 4.009) 5.596 1.689 ( 6.041 -0.899 4.060) 7.334 1.750 ( -3.282 1.919 4.109) 5.598 1.782 ( 0.953 5.191 8.401) 9.922 1.788 ( -2.932 -0.315 9.555) 10.000 1.859 ( -0.254 -0.103 8.897) 8.901 1.947 ( -2.816 3.166 0.931) 4.338 2.064 ( 3.665 -5.646 3.702) 7.682 2.174 ( -3.658 -2.519 1.319) 4.633 2.208 ( -4.452 -4.122 2.463) 6.548 2.373 ( -1.655 3.633 -1.996) 4.464 2.428 ( -1.521 -0.242 -0.772) 1.723 2.488 ( -3.624 4.870 1.868) 6.351 2.577 ( -2.607 -2.987 3.333) 5.179 2.600 ( -4.686 0.040 0.879) 4.768 2.633 ( -0.580 -2.015 -3.071) 3.719 2.668 ( 0.618 2.446 1.943) 3.185 2.690 ( 4.944 0.350 -0.037) 4.957 2.771 ( 0.743 4.127 2.823) 5.055 2.841 ( -0.741 0.705 0.804) 1.301 2.850 ( -8.144 -0.053 0.413) 8.155 2.884 ( 0.115 -0.109 3.930) 3.933 2.923 ( 2.243 -3.986 -1.999) 4.992 2.960 ( -0.459 -0.910 -0.072) 1.022 2.980 ( -1.170 -2.511 -0.121) 2.773 3.004 ( -0.767 -6.052 0.110) 6.101 3.079 ( 3.952 -0.486 2.216) 4.557 3.092 ( 0.492 2.163 2.390) 3.261 3.111 ( 1.320 0.252 2.755) 3.065 3.150 ( -0.501 -1.110 1.677) 2.072 3.175 ( 0.385 0.522 3.069) 3.137 3.225 ( 1.829 -2.336 -0.804) 3.074 3.265 ( -4.436 4.687 2.403) 6.886 3.330 ( -3.545 0.121 3.736) 5.152 3.408 ( -2.810 2.211 1.872) 4.036 3.427 ( -2.038 6.258 3.098) 7.275 3.456 ( 1.764 1.771 1.991) 3.195 3.492 ( 0.957 0.591 3.178) 3.372 3.518 ( -1.642 -2.085 -0.179) 2.660 3.530 ( -1.044 -3.702 0.684) 3.907 3.550 ( -1.276 -3.067 -1.348) 3.585 3.592 ( 0.853 0.595 -4.250) 4.376 3.616 ( 0.090 -2.462 -2.878) 3.788 3.676 ( 0.808 -7.097 0.451) 7.157 3.736 ( -0.171 0.163 -2.042) 2.056 3.764 ( 0.599 -1.478 -0.754) 1.764 3.886 ( -3.809 6.587 -3.006) 8.181 3.929 ( 2.607 3.316 -3.629) 5.565 3.996 ( 1.559 -0.281 -1.195) 1.984 4.020 ( 1.028 0.817 -2.879) 3.164 4.046 ( -2.036 -1.906 -2.481) 3.733 4.083 ( 0.740 -2.419 -2.751) 3.737 4.118 ( 1.470 1.414 -4.422) 4.870 4.188 ( 1.723 -2.142 -0.697) 2.836 4.208 ( -0.953 -0.031 -3.682) 3.804 4.275 ( 1.611 -3.836 -5.262) 6.708 4.349 ( 1.272 0.006 -2.400) 2.716 4.372 ( 0.556 -1.533 1.835) 2.455 4.447 ( 1.572 0.880 0.234) 1.816 4.474 ( 2.462 -1.263 -0.559) 2.823 4.506 ( 1.757 3.605 -1.166) 4.176 4.534 ( -0.147 -0.501 -3.257) 3.299 4.556 ( -2.225 2.699 2.746) 4.447 4.571 ( -0.492 3.560 -0.161) 3.598 4.591 ( -0.918 1.039 3.528) 3.791 4.617 ( 1.117 -0.931 1.844) 2.348 4.667 ( 1.361 4.130 0.585) 4.388 4.693 ( -1.517 1.361 1.862) 2.761 4.760 ( -0.179 2.516 -0.335) 2.544 4.817 ( 0.757 0.482 -0.776) 1.186 4.828 ( -1.666 -2.768 -0.043) 3.231 4.878 ( -1.301 -0.744 -1.493) 2.116 4.931 ( -1.527 2.982 1.226) 3.568 4.962 ( -0.967 -3.879 0.131) 4.000 5.061 ( 3.615 5.554 1.840) 6.877 5.139 ( 0.557 -0.616 1.851) 2.029 5.179 ( -0.442 -4.199 -2.501) 4.907 5.211 ( -1.873 5.069 -3.956) 6.697 5.245 ( -0.239 -6.794 -3.047) 7.450 5.336 ( -1.371 -0.793 -1.663) 2.297 5.415 ( 2.626 -0.709 -2.362) 3.603 5.425 ( 2.304 4.949 1.207) 5.591 5.517 ( 0.364 -1.122 0.381) 1.239 5.548 ( 1.691 -3.074 -1.916) 3.997 5.576 ( -2.632 1.173 -0.826) 2.998 5.630 ( 2.548 0.749 -0.529) 2.708 5.649 ( 2.235 -2.988 -1.463) 4.008 5.667 ( 5.881 -1.241 0.179) 6.013 5.792 ( -0.896 -1.011 1.806) 2.255 5.800 ( 1.491 -0.651 -0.187) 1.637 5.861 ( 0.798 2.432 -2.171) 3.356 5.925 ( 1.929 -2.808 -4.307) 5.491 6.211 ( 0.707 3.751 0.382) 3.836 6.276 ( -1.807 4.432 0.808) 4.854 6.303 ( 0.733 -3.368 0.833) 3.546 6.371 ( -2.424 -3.307 0.344) 4.115 6.801 ( -0.295 5.601 0.086) 5.609 6.919 ( -0.682 -4.656 0.847) 4.781 7.065 ( 1.497 2.788 -5.831) 6.634 7.138 ( 1.874 -3.806 -4.583) 6.245 7.427 ( -0.522 0.494 -2.810) 2.901 7.432 ( -1.157 0.118 -2.843) 3.071 7.454 ( 1.620 1.146 -3.380) 3.920 7.464 ( 1.351 0.148 -3.335) 3.601 7.763 ( -1.604 0.802 4.607) 4.944 7.799 ( -1.627 -2.614 6.070) 6.806 8.042 ( 0.635 3.468 -0.504) 3.562 8.098 ( 0.194 -1.617 0.369) 1.670 8.710 ( -3.065 -0.594 7.986) 8.575 8.722 ( -1.481 -1.700 8.466) 8.761 8.946 ( 0.034 3.502 1.903) 3.985 8.998 ( 0.477 -1.047 1.419) 1.827 9.131 ( 0.842 2.252 -0.821) 2.541 9.186 ( 0.796 -2.637 -3.372) 4.354 9.325 ( 1.496 -0.825 -3.519) 3.912 9.356 ( 0.940 -2.397 -1.778) 3.129 9.435 ( 0.660 1.167 -1.949) 2.365 9.464 ( -0.712 -1.639 2.586) 3.143 9.579 ( -1.506 1.414 1.063) 2.324 9.629 ( -1.352 -2.564 1.062) 3.087 9.732 ( -0.238 5.204 -2.855) 5.941 9.769 ( -0.860 3.149 -0.254) 3.274 9.834 ( -1.086 2.154 1.999) 3.133 9.907 ( -0.385 -2.705 -0.368) 2.757 10.016 ( 1.700 0.409 2.999) 3.472 10.062 ( 1.359 -3.390 2.094) 4.210 10.261 ( -0.562 2.339 -1.904) 3.068 10.310 ( -0.514 -1.878 -2.138) 2.892 10.904 ( -2.644 4.238 -4.061) 6.438 11.015 ( -1.398 -5.750 -3.784) 7.024 11.202 ( 3.622 3.451 -3.844) 6.309 11.276 ( 2.264 -3.564 0.548) 4.257 11.416 ( 1.199 2.165 1.891) 3.115 11.460 ( -1.289 -2.229 5.327) 5.916 11.570 ( -1.441 0.888 2.668) 3.160 11.579 ( -1.647 0.448 4.879) 5.169 11.923 ( -1.593 2.359 2.818) 4.006 11.984 ( -1.525 -2.919 4.080) 5.243 12.236 ( 1.146 2.270 -3.213) 4.097 12.281 ( 1.046 -1.734 -2.665) 3.347 13.878 ( -0.920 0.764 1.301) 1.767 13.902 ( 0.509 -1.347 1.923) 2.402 14.010 ( -0.056 1.079 -1.057) 1.511 14.030 ( -0.990 -0.694 -0.365) 1.263 14.715 ( 0.146 1.520 1.634) 2.236 14.760 ( -0.224 -2.569 1.358) 2.914 14.940 ( 1.336 2.745 -2.753) 4.111 14.988 ( 1.212 -1.590 -4.194) 4.646 15.730 ( -1.398 0.285 3.573) 3.847 15.737 ( -1.979 -0.339 3.583) 4.107 15.999 ( 1.219 0.423 -2.700) 2.993 16.009 ( 0.509 -0.391 -2.738) 2.813 18.625 ( -0.413 0.854 0.532) 1.088 18.648 ( -0.801 -1.156 0.104) 1.410 18.700 ( -1.219 0.564 -1.286) 1.859 18.707 ( 1.792 -0.056 -1.054) 2.080 20.498 ( 1.074 0.053 0.369) 1.137 20.505 ( 0.508 -0.568 0.292) 0.816 20.530 ( -0.281 0.425 0.409) 0.653 20.540 ( -0.298 -0.498 0.210) 0.617 20.900 ( 0.420 1.706 2.468) 3.030 20.936 ( 1.668 -1.608 2.638) 3.511 21.041 ( 1.108 1.536 -0.904) 2.099 21.077 ( 0.397 -1.074 -0.386) 1.208 21.137 ( -2.600 3.458 0.833) 4.406 21.196 ( -0.783 -1.956 2.301) 3.120 21.264 ( 0.990 1.124 -2.107) 2.585 21.309 ( -1.812 -2.673 -1.073) 3.403 21.441 ( -0.278 0.213 0.921) 0.986 21.465 ( 0.122 -2.236 1.255) 2.567 21.492 ( -0.507 2.338 -0.808) 2.525 21.559 ( -0.503 -3.779 -2.644) 4.639 21.693 ( 1.911 6.719 1.503) 7.145 21.801 ( 0.837 -2.969 1.565) 3.459 21.880 ( -2.191 1.833 -1.527) 3.239 21.934 ( -2.008 -2.700 -2.110) 3.972 22.047 ( -1.059 0.806 0.494) 1.420 22.093 ( -0.020 -3.728 2.065) 4.261 22.350 ( 2.130 4.995 -2.161) 5.845 22.420 ( 1.857 -1.555 -2.345) 3.371 ======================= Grid point 40 (24/42) ======================= q-point: (-0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -15.133 11.725 -2.414) 19.295 1.545 ( -15.855 5.517 5.986) 17.823 1.686 ( -10.385 -2.450 8.380) 13.567 1.800 ( -10.561 -8.522 -0.735) 13.591 1.817 ( -6.378 -0.093 10.834) 12.572 1.846 ( -7.786 2.254 14.881) 16.945 1.951 ( -1.092 -5.219 4.422) 6.927 2.012 ( -6.732 -6.640 10.342) 14.013 2.193 ( 6.100 8.269 0.787) 10.306 2.305 ( 6.030 0.214 0.793) 6.086 2.372 ( -6.004 6.816 0.462) 9.095 2.399 ( 3.940 -0.549 -0.174) 3.982 2.469 ( 2.992 -1.655 -0.741) 3.499 2.475 ( -5.879 1.918 2.471) 6.659 2.547 ( -0.516 -4.275 -3.835) 5.766 2.590 ( -6.607 -2.466 3.817) 8.019 2.610 ( -3.289 0.129 -0.040) 3.292 2.716 ( -3.409 -0.557 -1.463) 3.752 2.749 ( -2.069 0.460 -0.604) 2.204 2.804 ( 3.710 -1.574 0.602) 4.074 2.847 ( 0.369 -0.115 0.769) 0.861 2.895 ( -0.836 -2.601 -0.140) 2.736 2.926 ( -4.101 -0.682 1.931) 4.584 2.951 ( 1.061 2.354 4.059) 4.811 2.977 ( 1.402 -1.827 1.215) 2.604 3.036 ( -3.033 -3.607 3.297) 5.752 3.081 ( -7.484 3.267 3.499) 8.884 3.122 ( -2.661 0.495 3.029) 4.062 3.145 ( 0.061 -0.458 1.443) 1.515 3.173 ( 2.043 1.541 -0.481) 2.604 3.178 ( 1.618 1.707 0.332) 2.375 3.254 ( -6.053 -0.741 0.860) 6.158 3.262 ( 3.158 -1.683 -0.550) 3.621 3.310 ( -0.307 0.124 -3.340) 3.356 3.334 ( 2.115 -0.111 1.947) 2.877 3.395 ( -0.771 -1.841 0.471) 2.051 3.410 ( -3.801 -2.103 -0.909) 4.438 3.461 ( -3.527 -3.582 -2.249) 5.507 3.508 ( 0.851 2.664 0.454) 2.833 3.553 ( 1.518 0.749 1.759) 2.441 3.592 ( 0.927 -0.579 1.688) 2.011 3.614 ( -2.096 0.005 -1.151) 2.392 3.622 ( 4.084 1.076 3.165) 5.278 3.669 ( -0.230 -2.330 -2.033) 3.100 3.684 ( -1.215 0.305 -2.690) 2.967 3.730 ( 0.318 -2.301 2.473) 3.393 3.788 ( -2.143 7.437 -2.527) 8.142 3.882 ( -4.424 0.909 -1.151) 4.661 3.954 ( 2.157 0.283 -5.133) 5.575 3.963 ( -4.504 -1.112 -0.483) 4.665 4.018 ( -3.116 2.601 0.770) 4.132 4.055 ( 0.521 -2.103 -6.507) 6.858 4.094 ( 0.441 2.451 -2.795) 3.743 4.145 ( 0.062 -7.096 -1.045) 7.172 4.209 ( 2.460 2.277 -7.887) 8.570 4.316 ( 2.767 -4.360 -2.677) 5.817 4.333 ( -2.438 1.379 4.472) 5.277 4.358 ( -2.973 -0.052 0.156) 2.978 4.450 ( -3.889 6.427 -0.503) 7.529 4.480 ( 0.486 1.102 2.988) 3.221 4.515 ( -0.353 -1.559 1.670) 2.312 4.538 ( 0.532 0.988 -2.822) 3.037 4.563 ( 4.092 0.655 0.323) 4.156 4.594 ( 1.973 1.742 -3.777) 4.604 4.619 ( 2.350 -0.470 -0.188) 2.404 4.653 ( -0.117 2.119 1.908) 2.853 4.661 ( 0.191 -2.987 1.670) 3.428 4.707 ( 0.840 1.070 1.809) 2.264 4.770 ( -1.296 -1.070 0.709) 1.824 4.796 ( 0.715 -4.806 -0.506) 4.885 4.866 ( 1.957 4.465 -0.695) 4.925 4.923 ( 5.922 4.654 2.024) 7.799 4.959 ( 4.323 -0.470 0.558) 4.384 4.982 ( 2.354 -0.915 -2.179) 3.336 5.129 ( 0.231 -1.823 -1.422) 2.324 5.149 ( -0.090 -1.485 -0.185) 1.499 5.166 ( 0.117 0.513 -1.002) 1.131 5.207 ( -1.949 -3.234 -2.757) 4.675 5.223 ( 4.691 3.243 4.443) 7.229 5.312 ( 0.324 -1.039 -2.124) 2.386 5.426 ( 0.538 1.190 -3.875) 4.089 5.474 ( 0.310 1.589 0.808) 1.809 5.508 ( 0.458 -0.853 -3.176) 3.320 5.525 ( 1.866 1.257 -2.298) 3.216 5.619 ( 3.526 2.154 -2.398) 4.777 5.676 ( 1.874 1.449 -1.378) 2.741 5.704 ( 3.500 -0.922 -0.407) 3.642 5.758 ( 3.189 -2.366 -1.462) 4.231 5.822 ( 2.536 -0.480 0.290) 2.597 5.845 ( 2.552 -1.220 -1.615) 3.257 5.928 ( 4.960 -2.747 -1.490) 5.863 5.943 ( 4.101 -2.315 -3.181) 5.683 6.266 ( 1.720 3.050 2.747) 4.450 6.268 ( 1.985 2.671 0.828) 3.430 6.316 ( -0.327 -0.870 -1.460) 1.730 6.352 ( 1.338 -3.122 3.235) 4.691 6.808 ( 1.092 4.338 0.335) 4.486 6.913 ( -0.302 -4.521 0.352) 4.545 7.057 ( 1.987 3.627 -6.053) 7.331 7.147 ( 2.141 -4.443 -4.351) 6.577 7.398 ( -0.022 0.247 -2.938) 2.949 7.403 ( 0.133 0.061 -2.489) 2.493 7.492 ( 4.363 1.689 -3.151) 5.641 7.508 ( 4.902 0.064 -2.509) 5.507 7.770 ( -0.531 0.704 3.702) 3.806 7.809 ( -1.250 -3.226 4.712) 5.846 8.036 ( -1.030 3.469 -0.113) 3.620 8.084 ( -1.789 -1.147 0.458) 2.174 8.695 ( -4.265 0.875 8.385) 9.448 8.740 ( -2.685 -3.619 7.710) 8.930 8.968 ( 0.329 3.924 2.409) 4.617 9.019 ( 0.550 -1.085 1.864) 2.226 9.153 ( 2.183 1.072 -1.759) 3.002 9.182 ( 2.198 -1.990 -6.231) 6.900 9.334 ( 1.120 -0.161 -1.265) 1.697 9.368 ( 1.710 -2.489 -2.101) 3.679 9.442 ( 1.178 1.353 -1.501) 2.339 9.463 ( -0.936 -0.124 0.029) 0.944 9.542 ( -1.419 2.161 1.045) 2.788 9.611 ( -1.190 -3.522 2.415) 4.432 9.737 ( 0.691 5.237 -0.037) 5.283 9.771 ( 1.666 7.247 -0.535) 7.456 9.851 ( 0.788 -1.839 1.331) 2.403 9.914 ( 2.050 -2.525 1.440) 3.556 10.059 ( 0.557 -0.323 1.668) 1.787 10.096 ( 0.227 -3.637 1.466) 3.928 10.234 ( -0.633 2.896 -1.538) 3.340 10.284 ( -0.211 -1.659 -2.425) 2.946 10.819 ( -2.827 4.506 -2.961) 6.088 10.948 ( -2.051 -7.343 -4.094) 8.654 11.226 ( 1.010 3.854 -3.700) 5.437 11.290 ( -2.720 -1.919 4.034) 5.230 11.411 ( -2.685 0.753 -1.183) 3.029 11.444 ( -2.151 -1.247 -0.946) 2.660 11.563 ( -2.111 1.798 6.816) 7.359 11.595 ( -0.250 -0.901 7.676) 7.733 11.903 ( -2.123 2.992 1.952) 4.156 11.981 ( -1.606 -3.708 4.443) 6.005 12.250 ( 2.374 2.082 -3.016) 4.366 12.293 ( 1.873 -1.685 -2.563) 3.594 13.884 ( 0.493 2.481 1.542) 2.962 13.944 ( 2.161 -2.860 1.912) 4.063 14.002 ( 0.117 0.588 -1.320) 1.450 14.013 ( -0.189 -0.193 -0.503) 0.570 14.713 ( -1.502 1.387 1.588) 2.589 14.751 ( -1.559 -1.941 1.537) 2.926 14.930 ( -0.682 2.053 -2.579) 3.366 14.972 ( 0.488 -1.711 -5.570) 5.847 15.725 ( -1.530 0.345 3.368) 3.715 15.735 ( -1.091 -0.582 4.464) 4.632 16.012 ( 1.948 0.310 -2.949) 3.548 16.016 ( 2.256 -0.002 -2.302) 3.223 18.636 ( 1.229 1.394 0.414) 1.904 18.669 ( 2.892 -1.186 0.739) 3.212 18.710 ( 2.989 3.641 -1.678) 5.001 18.790 ( 7.270 -3.145 -1.433) 8.050 20.495 ( -0.905 0.954 -0.711) 1.495 20.521 ( -0.019 -1.271 -0.437) 1.344 20.537 ( 0.722 0.283 0.722) 1.059 20.549 ( 1.235 -0.695 1.093) 1.790 20.891 ( -3.415 2.858 3.382) 5.592 20.950 ( -3.462 -2.298 1.566) 4.441 21.042 ( -0.267 1.496 0.020) 1.520 21.078 ( -0.530 -0.854 1.939) 2.184 21.092 ( -0.937 3.428 -1.704) 3.941 21.171 ( -2.714 -3.303 1.387) 4.494 21.266 ( 0.915 0.148 -3.284) 3.412 21.280 ( -0.498 -0.882 -0.892) 1.350 21.448 ( 0.088 0.566 1.371) 1.486 21.470 ( -0.507 0.127 0.600) 0.796 21.485 ( 0.158 -1.148 0.473) 1.252 21.520 ( -1.310 -2.475 -2.241) 3.586 21.738 ( 0.705 5.335 4.053) 6.737 21.789 ( -2.648 0.430 -2.132) 3.426 21.832 ( -1.617 -0.327 0.840) 1.852 21.867 ( -2.042 -1.873 -1.440) 3.123 22.010 ( -2.989 2.797 0.595) 4.136 22.110 ( 0.237 -6.804 1.171) 6.908 22.403 ( 4.153 4.769 -1.721) 6.554 22.469 ( 4.307 -1.681 -2.646) 5.327 ======================= Grid point 41 (25/42) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -17.045 16.939 -2.702) 24.182 1.238 ( -18.900 10.301 7.866) 22.917 1.473 ( -13.706 -12.635 0.079) 18.641 1.526 ( -16.590 -10.509 7.906) 21.170 1.687 ( -13.217 1.325 17.308) 21.817 1.762 ( -10.995 -4.684 11.970) 16.915 1.884 ( -6.848 6.179 10.137) 13.705 1.993 ( -19.412 6.631 -4.746) 21.055 2.024 ( -12.936 -0.905 7.810) 15.138 2.154 ( -7.694 0.575 -0.620) 7.741 2.353 ( -4.487 6.695 4.633) 9.296 2.433 ( -3.224 -1.059 3.730) 5.043 2.482 ( -2.666 -4.173 1.234) 5.104 2.510 ( -6.170 -5.383 4.596) 9.390 2.524 ( -1.031 -0.383 4.008) 4.156 2.571 ( 4.067 3.119 -0.823) 5.191 2.589 ( 2.550 2.979 0.393) 3.941 2.657 ( 2.872 -4.688 -6.921) 8.839 2.732 ( -4.125 -3.337 -0.822) 5.369 2.767 ( -5.673 1.505 1.000) 5.954 2.820 ( -1.805 -2.013 -4.159) 4.960 2.857 ( 1.243 -6.372 -0.941) 6.560 2.867 ( -5.235 -1.013 0.318) 5.342 2.885 ( -5.934 -2.103 3.702) 7.303 2.959 ( 0.222 2.042 0.436) 2.100 3.004 ( -0.444 -0.960 1.347) 1.713 3.025 ( -0.282 2.133 1.563) 2.660 3.094 ( 0.529 -3.897 0.364) 3.949 3.130 ( -1.925 0.154 0.004) 1.931 3.148 ( 3.251 -2.283 -0.204) 3.978 3.221 ( 0.162 3.169 1.090) 3.355 3.252 ( -0.264 1.668 -3.375) 3.774 3.277 ( 0.787 -1.560 -1.372) 2.221 3.299 ( -0.636 -2.599 -0.122) 2.678 3.362 ( 1.529 2.958 2.682) 4.275 3.392 ( 3.227 0.966 0.525) 3.409 3.436 ( 4.189 1.620 -0.643) 4.538 3.464 ( 3.678 -0.310 -0.119) 3.693 3.505 ( -2.071 0.582 3.183) 3.842 3.534 ( 1.348 -2.535 2.585) 3.863 3.564 ( -5.211 1.064 1.004) 5.412 3.637 ( -1.202 -0.154 -0.268) 1.241 3.668 ( 1.196 -2.044 1.651) 2.887 3.686 ( 1.354 -1.653 1.956) 2.897 3.735 ( 2.973 -0.204 0.327) 2.998 3.738 ( -0.773 1.219 0.031) 1.444 3.848 ( 5.169 2.051 -4.470) 7.135 3.865 ( 2.907 0.600 -0.675) 3.044 3.923 ( 5.944 -0.546 -3.957) 7.161 3.953 ( -0.099 4.148 -1.583) 4.441 4.026 ( 2.658 2.850 -1.330) 4.118 4.075 ( 6.815 2.425 3.247) 7.929 4.106 ( -0.997 1.406 1.600) 2.352 4.152 ( -0.389 -1.309 -0.575) 1.482 4.174 ( -0.270 -0.054 -5.661) 5.668 4.236 ( -0.261 3.752 -0.851) 3.857 4.290 ( -3.307 -1.691 -2.991) 4.769 4.336 ( -3.024 -5.179 0.790) 6.049 4.419 ( -1.047 2.753 0.906) 3.082 4.480 ( -0.534 0.557 -4.151) 4.223 4.503 ( 0.856 -0.869 -0.080) 1.223 4.531 ( -0.983 -1.376 0.915) 1.923 4.573 ( -1.706 0.990 0.980) 2.203 4.613 ( -1.271 1.404 0.925) 2.107 4.616 ( 1.199 -0.711 -2.503) 2.865 4.663 ( 0.026 -1.709 1.831) 2.505 4.720 ( 3.570 1.711 0.067) 3.959 4.782 ( 5.161 0.900 0.531) 5.266 4.811 ( 4.019 -2.118 -0.579) 4.580 4.826 ( 1.761 -3.217 0.383) 3.688 4.947 ( 5.650 2.746 0.703) 6.321 4.969 ( -0.488 3.185 -4.465) 5.506 5.011 ( -1.018 -1.925 -0.310) 2.199 5.055 ( 5.322 -0.921 0.704) 5.447 5.127 ( 0.049 -0.322 1.173) 1.217 5.142 ( -0.966 2.094 -0.481) 2.356 5.159 ( 0.398 -1.601 0.466) 1.715 5.182 ( -0.279 -0.514 1.785) 1.879 5.264 ( -2.890 0.871 -1.656) 3.443 5.315 ( 1.106 -2.731 -0.369) 2.969 5.400 ( 0.567 2.678 -4.910) 5.621 5.466 ( -1.063 -2.050 -3.043) 3.820 5.499 ( -0.130 4.291 0.673) 4.345 5.551 ( 0.613 2.610 0.211) 2.689 5.636 ( 1.642 1.401 -5.350) 5.769 5.703 ( 2.388 0.254 -4.303) 4.927 5.765 ( 2.995 -0.838 -0.981) 3.261 5.793 ( 1.748 -3.714 -2.155) 4.636 5.880 ( 3.707 -0.601 -0.633) 3.808 5.900 ( 3.985 -1.492 -1.326) 4.456 5.975 ( 3.911 1.262 -2.383) 4.750 6.038 ( 4.762 -3.861 -2.901) 6.782 6.281 ( 0.373 2.432 0.610) 2.535 6.305 ( 0.448 0.882 -1.508) 1.803 6.343 ( 1.131 1.649 2.590) 3.272 6.424 ( 1.738 -5.116 2.938) 6.150 6.849 ( 2.445 2.058 0.490) 3.233 6.917 ( 0.558 -3.691 0.217) 3.739 7.060 ( 2.554 4.162 -5.660) 7.475 7.157 ( 1.725 -4.594 -4.011) 6.337 7.387 ( 0.441 0.655 -1.529) 1.721 7.401 ( 0.843 -0.512 -1.074) 1.458 7.567 ( 4.898 2.537 -3.227) 6.391 7.605 ( 5.750 -0.856 -2.497) 6.327 7.799 ( 1.355 -0.039 2.446) 2.796 7.819 ( -0.192 -2.418 2.891) 3.774 8.004 ( -1.841 3.161 -0.105) 3.660 8.041 ( -2.575 -0.626 0.342) 2.672 8.660 ( -5.065 1.485 8.060) 9.635 8.717 ( -4.691 -4.433 6.310) 9.026 8.983 ( -0.296 4.278 1.116) 4.431 9.046 ( 0.919 -1.964 1.214) 2.485 9.165 ( 1.726 1.389 -5.678) 6.095 9.204 ( 3.788 -1.952 -4.951) 6.533 9.356 ( 2.009 0.386 -1.176) 2.360 9.393 ( 1.116 -2.647 1.164) 3.100 9.436 ( -0.080 2.498 -1.599) 2.967 9.459 ( 1.559 -0.430 -1.814) 2.431 9.564 ( 2.227 2.671 1.776) 3.905 9.630 ( 0.588 -2.839 4.394) 5.264 9.728 ( -0.807 5.512 -0.684) 5.612 9.828 ( 3.069 4.017 -2.839) 5.798 9.875 ( 1.148 2.338 3.716) 4.538 10.010 ( 4.972 -0.296 1.587) 5.228 10.076 ( 1.626 -1.544 -1.934) 2.961 10.089 ( -0.981 -3.245 1.772) 3.825 10.223 ( -0.069 2.424 1.019) 2.630 10.274 ( 0.988 -2.183 -1.475) 2.814 10.771 ( -0.669 4.004 0.567) 4.099 10.890 ( -0.733 -7.058 -3.434) 7.883 11.178 ( -4.007 2.986 -0.397) 5.013 11.239 ( -5.075 -1.798 4.335) 6.913 11.310 ( -5.580 1.563 -1.810) 6.071 11.356 ( -4.339 -1.440 -3.379) 5.685 11.586 ( -0.899 4.403 7.255) 8.535 11.674 ( 2.320 -3.097 5.465) 6.696 11.869 ( -3.290 4.193 3.995) 6.661 11.986 ( -1.716 -6.253 5.921) 8.780 12.281 ( 2.617 1.511 -2.803) 4.122 12.313 ( 1.812 -1.269 -2.678) 3.473 13.921 ( 2.284 4.574 1.188) 5.249 13.979 ( 0.207 -0.792 -0.280) 0.866 14.004 ( 0.963 0.746 -0.613) 1.364 14.050 ( 4.143 -2.876 1.682) 5.316 14.678 ( -2.761 1.858 0.400) 3.352 14.724 ( -2.081 -2.177 1.198) 3.241 14.869 ( -3.596 1.463 -2.694) 4.725 14.910 ( -2.461 -2.294 -7.905) 8.591 15.723 ( -1.178 1.034 4.011) 4.306 15.758 ( -0.428 -2.173 6.538) 6.903 16.042 ( 3.121 1.336 -2.894) 4.461 16.058 ( 3.335 -0.122 -1.674) 3.733 18.683 ( 2.920 3.312 0.572) 4.452 18.761 ( 4.994 -2.939 -0.381) 5.807 18.802 ( 8.276 9.386 0.210) 12.515 18.981 ( 13.398 -6.047 -2.312) 14.880 20.467 ( -1.176 1.267 -1.172) 2.089 20.497 ( -1.159 -1.340 -1.496) 2.319 20.563 ( 0.857 0.683 0.342) 1.148 20.581 ( 1.173 -0.841 0.498) 1.526 20.810 ( -6.477 1.320 1.317) 6.740 20.836 ( -6.586 -0.131 0.286) 6.593 21.035 ( -1.561 0.814 2.133) 2.766 21.071 ( -0.227 1.683 -2.183) 2.766 21.077 ( -0.843 -1.211 1.013) 1.790 21.122 ( -3.599 -3.165 2.478) 5.396 21.251 ( -0.415 0.341 -4.178) 4.213 21.257 ( -0.418 0.043 -2.088) 2.130 21.461 ( -0.004 0.585 1.578) 1.684 21.466 ( -0.117 0.535 0.889) 1.044 21.487 ( -0.612 -0.886 -0.951) 1.436 21.493 ( -0.325 -2.071 0.913) 2.286 21.719 ( -1.469 1.535 -3.614) 4.192 21.751 ( -1.049 -1.130 -1.654) 2.261 21.818 ( -0.100 4.088 6.108) 7.351 21.865 ( -1.005 -0.403 5.242) 5.353 21.935 ( -5.089 4.401 0.659) 6.761 22.112 ( -1.413 -11.175 2.628) 11.566 22.483 ( 5.045 4.088 -1.762) 6.728 22.541 ( 4.923 -1.627 -3.631) 6.330 ======================= Grid point 42 (26/42) ======================= q-point: (-0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -17.430 17.667 3.039) 25.003 0.942 ( -15.457 19.633 9.650) 26.786 1.168 ( -15.053 -15.797 2.524) 21.966 1.324 ( -11.849 -15.787 14.207) 24.320 1.402 ( -23.972 24.193 13.576) 36.664 1.548 ( -12.806 3.535 13.137) 18.684 1.655 ( -11.274 -6.120 11.967) 17.543 1.811 ( -7.700 9.385 11.720) 16.874 1.936 ( -6.180 -4.903 4.308) 8.988 2.043 ( -3.705 -9.308 4.966) 11.181 2.206 ( -10.035 -4.039 0.114) 10.818 2.309 ( -6.793 2.579 -1.613) 7.443 2.378 ( -7.897 -2.028 -4.763) 9.443 2.391 ( -5.599 -8.033 0.332) 9.798 2.491 ( -4.058 -0.245 3.941) 5.662 2.525 ( -3.779 -3.394 1.522) 5.302 2.566 ( -4.268 1.788 -2.963) 5.495 2.649 ( -1.461 -3.936 -3.138) 5.241 2.680 ( 2.995 4.630 -3.624) 6.598 2.757 ( -1.453 -1.853 -1.572) 2.831 2.797 ( 1.987 -0.932 1.564) 2.695 2.828 ( 2.882 1.473 2.962) 4.387 2.883 ( 2.603 -2.644 0.674) 3.771 2.940 ( 2.740 -3.474 -0.647) 4.471 2.972 ( 1.047 3.229 -0.185) 3.400 3.013 ( 0.270 3.131 0.699) 3.220 3.049 ( 3.114 -0.839 -0.157) 3.229 3.101 ( -1.640 1.064 2.198) 2.942 3.132 ( 2.683 -3.048 -0.283) 4.070 3.182 ( -0.457 -6.314 -1.826) 6.589 3.250 ( 2.204 0.723 0.718) 2.428 3.263 ( 1.210 2.513 2.115) 3.501 3.305 ( 2.476 -3.650 -0.470) 4.435 3.321 ( 2.197 -2.100 1.001) 3.199 3.385 ( 0.072 3.340 -4.334) 5.472 3.415 ( -3.858 3.081 -2.135) 5.379 3.446 ( 1.888 0.455 -0.540) 2.016 3.487 ( -3.947 -1.919 -2.410) 5.007 3.523 ( -2.047 -0.228 4.106) 4.594 3.558 ( 1.849 -0.542 1.051) 2.195 3.574 ( 4.020 2.445 2.144) 5.171 3.627 ( 4.403 -0.803 4.061) 6.043 3.685 ( 2.856 5.070 0.134) 5.821 3.709 ( -0.411 3.107 -3.565) 4.746 3.787 ( 1.832 3.537 4.033) 5.669 3.810 ( -1.391 5.676 -2.056) 6.195 3.829 ( 0.124 -1.475 -4.681) 4.910 3.882 ( -0.478 -2.318 -4.043) 4.685 3.952 ( 1.931 2.621 -2.324) 4.000 3.996 ( 2.609 0.224 -0.607) 2.688 4.022 ( -4.310 2.019 -1.723) 5.061 4.098 ( 2.096 -4.756 -3.163) 6.084 4.118 ( -0.786 -1.582 5.907) 6.166 4.172 ( -0.214 -4.113 -4.290) 5.947 4.200 ( 2.436 0.962 -2.505) 3.624 4.302 ( 3.130 0.492 2.179) 3.845 4.319 ( 6.238 0.411 -0.027) 6.251 4.355 ( 6.644 2.344 1.985) 7.320 4.413 ( 0.031 3.375 -3.911) 5.166 4.460 ( 1.770 2.435 2.061) 3.649 4.500 ( -1.479 -3.329 -2.105) 4.207 4.549 ( 1.344 -0.712 3.539) 3.852 4.564 ( 1.517 -2.743 0.751) 3.223 4.616 ( 1.522 -2.456 0.064) 2.891 4.637 ( 0.450 0.802 3.845) 3.953 4.679 ( 0.125 -1.877 3.257) 3.761 4.768 ( 2.403 0.892 -0.103) 2.566 4.808 ( -1.266 2.621 -4.178) 5.092 4.822 ( -0.911 -2.730 -2.000) 3.505 4.852 ( -1.921 -1.843 -2.307) 3.522 4.959 ( 2.000 1.475 -1.702) 3.012 4.972 ( 2.139 -0.360 -3.028) 3.725 5.061 ( 1.735 6.849 0.779) 7.108 5.108 ( -1.649 3.049 0.889) 3.578 5.146 ( 1.431 -1.509 3.038) 3.682 5.147 ( -0.289 0.801 1.279) 1.537 5.157 ( 2.026 -1.608 2.341) 3.488 5.177 ( -1.977 3.794 -1.597) 4.566 5.244 ( 3.828 -2.126 1.165) 4.531 5.333 ( 1.229 -1.691 0.564) 2.165 5.355 ( -2.397 -0.896 -2.322) 3.456 5.386 ( -3.549 -3.530 -6.238) 7.998 5.496 ( -0.641 3.783 1.062) 3.981 5.545 ( -1.522 -0.004 0.216) 1.538 5.618 ( -0.780 2.052 -2.219) 3.122 5.681 ( 1.199 -3.265 -10.091) 10.674 5.805 ( 1.814 0.826 -0.532) 2.063 5.835 ( 2.558 -2.017 0.225) 3.266 5.941 ( 2.242 -0.463 -2.026) 3.057 5.966 ( 2.432 -1.774 -1.555) 3.388 6.039 ( 4.111 4.102 -2.373) 6.274 6.082 ( 1.934 0.587 -4.301) 4.752 6.281 ( -0.352 1.360 -0.132) 1.411 6.303 ( 0.129 -1.037 -0.080) 1.048 6.360 ( -0.723 -0.181 2.642) 2.745 6.399 ( -5.228 -6.097 0.577) 8.052 6.894 ( 1.464 1.230 -0.153) 1.918 6.934 ( 0.955 -2.627 0.110) 2.797 7.078 ( 3.080 3.635 -5.236) 7.080 7.156 ( 0.910 -3.529 -3.657) 5.163 7.393 ( 0.597 1.067 0.508) 1.324 7.416 ( 0.741 -0.933 0.659) 1.362 7.624 ( 2.929 2.654 -3.362) 5.189 7.669 ( 2.302 -1.412 -2.996) 4.033 7.851 ( 1.582 -0.607 1.350) 2.166 7.855 ( 2.255 -0.835 1.408) 2.786 7.969 ( -1.291 2.479 -0.820) 2.913 7.995 ( -1.789 -0.311 -0.368) 1.853 8.619 ( -4.425 0.960 8.499) 9.630 8.653 ( -5.594 -2.588 7.142) 9.434 8.969 ( -0.920 6.397 -1.087) 6.554 9.069 ( 0.879 -3.268 0.101) 3.385 9.166 ( 2.080 2.397 -4.259) 5.311 9.234 ( 2.599 -3.953 -5.037) 6.910 9.391 ( 1.730 1.169 -0.466) 2.139 9.413 ( 0.502 0.055 0.021) 0.505 9.463 ( 0.427 -0.979 5.096) 5.207 9.474 ( 3.635 -1.001 -6.997) 7.948 9.645 ( 4.133 2.025 2.289) 5.140 9.687 ( 1.880 -0.352 3.455) 3.949 9.703 ( -1.414 5.464 0.394) 5.658 9.836 ( -0.008 -1.325 -1.686) 2.144 9.904 ( -0.357 5.240 0.776) 5.309 10.040 ( -0.709 -5.104 -4.077) 6.571 10.110 ( 0.087 0.791 0.147) 0.810 10.138 ( 3.970 -0.857 -1.158) 4.223 10.274 ( 6.086 5.114 1.861) 8.164 10.353 ( 7.314 -2.412 0.699) 7.733 10.806 ( 1.899 3.127 4.666) 5.929 10.877 ( 1.702 -3.284 -2.949) 4.731 11.090 ( -4.089 2.103 0.530) 4.628 11.148 ( -6.741 -2.538 3.882) 8.183 11.208 ( -2.591 2.477 -0.716) 3.655 11.267 ( -1.213 -1.959 -2.688) 3.541 11.611 ( -0.806 4.363 2.469) 5.078 11.709 ( -1.632 -3.494 -1.609) 4.179 11.854 ( -3.414 2.598 12.766) 13.467 11.976 ( -5.798 -9.861 8.890) 14.487 12.311 ( 2.267 0.654 -2.415) 3.376 12.325 ( 1.399 -0.553 -2.745) 3.130 13.970 ( 1.364 1.881 -1.034) 2.543 13.987 ( 1.016 0.184 0.831) 1.326 14.062 ( 6.002 6.377 -0.123) 8.758 14.163 ( 5.341 -2.707 0.184) 5.991 14.614 ( -2.946 1.822 -0.723) 3.539 14.668 ( -4.262 -3.052 -3.641) 6.383 14.755 ( -5.011 0.937 -3.280) 6.062 14.771 ( -5.203 -0.621 -1.847) 5.556 15.734 ( -0.973 1.930 4.883) 5.340 15.811 ( 0.006 -6.045 8.729) 10.618 16.092 ( 3.422 1.997 -2.752) 4.824 16.121 ( 3.836 -0.341 -1.327) 4.073 18.744 ( 2.340 4.755 0.465) 5.320 18.837 ( 3.692 -0.932 -3.579) 5.226 19.097 ( 21.215 11.892 1.704) 24.381 19.278 ( 17.392 -4.007 -4.908) 18.510 20.434 ( -1.243 1.002 -0.576) 1.697 20.458 ( -1.721 -1.045 -1.662) 2.611 20.576 ( 0.816 0.946 -0.324) 1.290 20.599 ( 0.933 -1.004 -0.684) 1.531 20.682 ( -4.818 1.462 -0.473) 5.057 20.726 ( -5.281 -2.133 1.263) 5.834 20.981 ( -7.017 0.459 1.926) 7.291 21.013 ( -8.004 -1.474 1.444) 8.266 21.059 ( -1.274 -0.877 0.055) 1.548 21.068 ( 0.024 -0.787 -2.715) 2.827 21.195 ( -0.630 3.514 -4.266) 5.563 21.248 ( 1.865 -1.585 -4.212) 4.871 21.465 ( -0.171 -0.018 0.074) 0.187 21.473 ( -0.842 -0.644 0.181) 1.075 21.477 ( 0.191 0.255 0.187) 0.370 21.483 ( -0.308 -0.336 -0.131) 0.474 21.690 ( 0.551 1.719 -2.282) 2.909 21.730 ( 0.429 -1.775 -2.020) 2.723 21.807 ( -7.281 5.037 1.106) 8.922 21.843 ( -3.000 0.298 0.827) 3.126 21.897 ( -1.073 2.961 10.795) 11.245 22.103 ( -3.951 -15.508 12.432) 20.265 22.570 ( 4.387 1.325 -1.996) 4.999 22.607 ( 4.188 -1.695 -3.671) 5.821 ======================= Grid point 51 (27/42) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 4.557 0.000 19.260) 19.792 1.003 ( 11.842 0.000 21.396) 24.455 1.216 ( -1.684 0.000 -5.249) 5.513 1.486 ( -11.024 0.000 -18.586) 21.609 1.501 ( 5.342 0.000 10.229) 11.540 1.633 ( -7.465 0.000 -3.239) 8.138 1.904 ( -0.387 0.000 17.592) 17.596 1.931 ( -4.324 0.000 8.218) 9.287 1.985 ( -2.313 0.000 24.009) 24.121 2.010 ( -4.675 0.000 -1.413) 4.884 2.043 ( 2.575 0.000 2.526) 3.607 2.088 ( -7.483 0.000 9.727) 12.272 2.268 ( -5.429 0.000 -2.798) 6.108 2.340 ( -0.218 0.000 -1.244) 1.263 2.415 ( -3.789 0.000 -5.664) 6.814 2.551 ( -2.216 0.000 7.615) 7.931 2.608 ( 2.381 0.000 -10.923) 11.180 2.718 ( 2.043 0.000 0.750) 2.176 2.762 ( 8.512 0.000 -5.127) 9.937 2.785 ( -1.488 0.000 -1.035) 1.812 2.788 ( -1.073 0.000 -6.784) 6.868 2.845 ( 2.892 0.000 -4.450) 5.307 2.934 ( 2.308 0.000 -0.019) 2.308 2.947 ( -2.006 0.000 2.126) 2.924 2.949 ( 1.147 0.000 -1.164) 1.634 3.053 ( 2.656 0.000 -1.579) 3.090 3.057 ( -2.162 0.000 -6.090) 6.463 3.068 ( 6.247 0.000 -1.522) 6.430 3.182 ( 6.301 0.000 -0.113) 6.302 3.205 ( -0.593 0.000 0.908) 1.085 3.227 ( -3.397 0.000 1.464) 3.699 3.235 ( -4.312 0.000 1.027) 4.433 3.305 ( 2.156 0.000 0.348) 2.184 3.339 ( 3.850 0.000 0.349) 3.866 3.347 ( -4.701 0.000 -0.009) 4.701 3.355 ( -0.330 0.000 -0.824) 0.888 3.385 ( -0.136 0.000 -0.657) 0.671 3.400 ( -1.164 0.000 -0.156) 1.174 3.474 ( -4.248 0.000 -0.180) 4.251 3.535 ( 0.609 0.000 -5.281) 5.316 3.593 ( -0.267 0.000 2.218) 2.234 3.626 ( 0.453 0.000 1.518) 1.584 3.718 ( 6.285 0.000 6.798) 9.258 3.730 ( -0.374 0.000 7.747) 7.756 3.809 ( 0.261 0.000 9.522) 9.526 3.854 ( 1.747 0.000 0.085) 1.749 3.858 ( 0.214 0.000 2.519) 2.528 3.862 ( 3.707 0.000 1.874) 4.154 3.934 ( -6.006 0.000 -0.129) 6.007 3.972 ( -0.835 0.000 -1.601) 1.806 4.011 ( -3.825 0.000 -4.633) 6.008 4.014 ( 4.621 0.000 -4.762) 6.636 4.129 ( -3.171 0.000 -7.067) 7.746 4.155 ( -2.011 0.000 -4.047) 4.519 4.172 ( 0.048 0.000 -1.217) 1.218 4.252 ( -0.097 0.000 -8.598) 8.599 4.328 ( 2.310 0.000 3.255) 3.992 4.361 ( -2.935 0.000 -0.765) 3.033 4.402 ( -3.645 0.000 1.448) 3.922 4.418 ( 1.739 0.000 6.730) 6.951 4.476 ( 5.138 0.000 -4.636) 6.920 4.491 ( -10.143 0.000 1.111) 10.204 4.634 ( -1.812 0.000 -0.680) 1.936 4.649 ( 2.354 0.000 0.380) 2.385 4.691 ( 3.240 0.000 0.929) 3.370 4.722 ( -3.122 0.000 -2.324) 3.892 4.758 ( 2.506 0.000 3.969) 4.694 4.806 ( -3.545 0.000 1.222) 3.750 4.817 ( 4.803 0.000 -0.708) 4.854 4.860 ( -0.246 0.000 -5.223) 5.229 4.883 ( -0.709 0.000 2.356) 2.461 4.939 ( 0.553 0.000 -2.851) 2.904 5.071 ( 3.665 0.000 3.044) 4.764 5.073 ( 1.367 0.000 1.075) 1.739 5.117 ( 0.931 0.000 -2.971) 3.113 5.192 ( 1.201 0.000 -3.499) 3.699 5.211 ( -3.731 0.000 3.335) 5.004 5.262 ( -0.921 0.000 4.716) 4.805 5.298 ( 1.969 0.000 -3.856) 4.329 5.370 ( -1.251 0.000 1.258) 1.774 5.376 ( 1.978 0.000 1.307) 2.371 5.390 ( 1.854 0.000 -8.142) 8.350 5.473 ( 0.086 0.000 1.938) 1.940 5.518 ( -2.109 0.000 -0.366) 2.140 5.603 ( 2.057 0.000 1.827) 2.751 5.663 ( 3.690 0.000 -1.415) 3.952 5.707 ( 4.093 0.000 -5.144) 6.573 5.720 ( -4.158 0.000 -3.445) 5.399 5.935 ( -3.432 0.000 1.282) 3.663 5.970 ( 3.290 0.000 -2.032) 3.867 5.986 ( 0.812 0.000 0.716) 1.083 6.003 ( 0.033 0.000 -0.752) 0.753 6.318 ( 2.424 0.000 1.388) 2.793 6.331 ( -3.849 0.000 0.355) 3.865 6.391 ( -1.023 0.000 1.709) 1.992 6.413 ( 1.476 0.000 -0.208) 1.491 6.893 ( -1.408 0.000 0.379) 1.458 6.950 ( 3.148 0.000 -4.966) 5.880 7.037 ( -0.619 0.000 2.924) 2.988 7.104 ( 0.478 0.000 -3.527) 3.559 7.468 ( 0.710 0.000 3.374) 3.448 7.490 ( 0.582 0.000 3.552) 3.599 7.535 ( 0.952 0.000 -3.534) 3.660 7.583 ( -0.154 0.000 -5.274) 5.276 7.872 ( -1.602 0.000 -0.080) 1.604 7.876 ( 1.003 0.000 -0.284) 1.043 7.931 ( -0.223 0.000 1.537) 1.553 7.960 ( -0.135 0.000 -1.338) 1.345 8.829 ( -5.960 0.000 11.145) 12.638 8.908 ( -2.101 0.000 12.745) 12.917 8.919 ( 0.691 0.000 2.819) 2.903 9.090 ( -0.939 0.000 -3.436) 3.562 9.127 ( 2.133 0.000 -1.094) 2.397 9.232 ( 0.041 0.000 -7.819) 7.819 9.242 ( 4.781 0.000 -9.043) 10.228 9.254 ( 2.529 0.000 -4.814) 5.437 9.437 ( 2.196 0.000 2.589) 3.395 9.493 ( -3.008 0.000 -2.701) 4.042 9.655 ( -0.103 0.000 2.155) 2.158 9.691 ( -0.668 0.000 -0.866) 1.094 9.795 ( -2.277 0.000 2.983) 3.753 9.834 ( 4.602 0.000 -0.115) 4.603 9.978 ( -1.805 0.000 4.779) 5.108 10.068 ( 1.146 0.000 -4.067) 4.225 10.122 ( -2.851 0.000 3.493) 4.509 10.216 ( 2.589 0.000 -5.545) 6.119 10.311 ( -2.707 0.000 9.842) 10.208 10.477 ( 3.225 0.000 -5.618) 6.478 10.810 ( 0.537 0.000 -1.708) 1.791 10.840 ( -0.076 0.000 -5.666) 5.667 11.008 ( -0.464 0.000 5.633) 5.652 11.134 ( 2.947 0.000 -7.468) 8.029 11.226 ( -2.194 0.000 11.650) 11.855 11.381 ( 2.861 0.000 8.174) 8.660 11.450 ( 1.183 0.000 -9.734) 9.806 11.535 ( -8.038 0.000 -6.962) 10.633 12.092 ( -5.233 0.000 9.623) 10.954 12.140 ( -4.958 0.000 7.405) 8.911 12.243 ( 2.317 0.000 -5.574) 6.036 12.263 ( 2.994 0.000 -4.841) 5.692 13.923 ( -0.026 0.000 2.280) 2.281 13.958 ( -0.246 0.000 -1.116) 1.142 14.103 ( 1.337 0.000 3.452) 3.702 14.170 ( -1.863 0.000 -3.017) 3.546 14.608 ( -0.489 0.000 1.726) 1.794 14.639 ( 4.050 0.000 -1.346) 4.268 14.701 ( -1.469 0.000 0.228) 1.487 14.709 ( 1.610 0.000 -0.580) 1.711 15.823 ( -1.659 0.000 5.474) 5.720 15.934 ( 1.642 0.000 -5.493) 5.733 16.127 ( -2.628 0.000 -0.134) 2.631 16.130 ( 1.598 0.000 -0.398) 1.647 18.743 ( 0.004 0.000 1.281) 1.281 18.749 ( 0.030 0.000 0.944) 0.944 19.319 ( 0.701 0.000 -2.611) 2.703 19.324 ( 0.880 0.000 -3.467) 3.577 20.498 ( 1.664 0.000 3.494) 3.870 20.558 ( 7.109 0.000 2.004) 7.386 20.566 ( -0.074 0.000 -2.661) 2.662 20.595 ( -0.214 0.000 -1.735) 1.748 20.629 ( 1.818 0.000 -0.027) 1.818 20.641 ( -4.600 0.000 -1.385) 4.804 20.801 ( -2.342 0.000 0.319) 2.364 20.804 ( -4.820 0.000 0.121) 4.821 21.038 ( -3.247 0.000 1.217) 3.468 21.066 ( 4.610 0.000 -1.681) 4.907 21.165 ( -1.491 0.000 3.454) 3.763 21.229 ( 2.291 0.000 -2.991) 3.767 21.438 ( -0.636 0.000 -0.324) 0.714 21.439 ( -0.302 0.000 -0.424) 0.520 21.483 ( 0.296 0.000 0.147) 0.330 21.486 ( -0.204 0.000 -0.187) 0.277 21.639 ( -4.877 0.000 3.649) 6.091 21.691 ( 3.559 0.000 -1.466) 3.849 21.786 ( -4.143 0.000 0.814) 4.223 21.792 ( 3.736 0.000 0.197) 3.742 22.099 ( -2.010 0.000 9.065) 9.285 22.262 ( 2.067 0.000 -7.000) 7.299 22.596 ( -7.597 0.000 0.030) 7.597 22.618 ( 5.028 0.000 -2.140) 5.464 ======================= Grid point 52 (28/42) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 1.372 0.000 -11.578) 11.659 1.162 ( 5.649 0.000 11.990) 13.254 1.241 ( 7.702 0.000 -18.274) 19.831 1.496 ( 10.457 0.000 23.327) 25.564 1.581 ( 2.138 0.000 -3.862) 4.415 1.795 ( 12.642 0.000 11.056) 16.794 1.910 ( 0.851 0.000 2.332) 2.482 2.031 ( 5.705 0.000 7.243) 9.220 2.036 ( -0.736 0.000 0.377) 0.827 2.088 ( 0.849 0.000 11.126) 11.159 2.177 ( 2.923 0.000 3.882) 4.860 2.185 ( 6.389 0.000 3.806) 7.436 2.285 ( 12.426 0.000 26.153) 28.955 2.318 ( -1.594 0.000 -0.642) 1.719 2.371 ( 5.126 0.000 -0.577) 5.159 2.540 ( -1.508 0.000 1.526) 2.145 2.631 ( 6.435 0.000 -16.992) 18.170 2.677 ( -1.182 0.000 2.348) 2.629 2.704 ( -4.301 0.000 -2.981) 5.233 2.788 ( 1.474 0.000 1.718) 2.264 2.846 ( -0.207 0.000 -3.174) 3.181 2.899 ( 0.881 0.000 0.573) 1.051 2.932 ( 0.693 0.000 2.295) 2.397 2.951 ( 0.441 0.000 -6.511) 6.526 2.989 ( 2.895 0.000 -5.297) 6.037 3.005 ( 1.983 0.000 -0.970) 2.207 3.086 ( -1.035 0.000 -7.488) 7.560 3.128 ( 1.177 0.000 -2.160) 2.460 3.179 ( 1.330 0.000 -3.396) 3.647 3.207 ( 0.971 0.000 -0.553) 1.118 3.209 ( 8.045 0.000 -0.257) 8.049 3.211 ( -3.681 0.000 4.802) 6.050 3.317 ( -0.611 0.000 -1.274) 1.413 3.334 ( -3.796 0.000 0.083) 3.797 3.378 ( 1.614 0.000 0.613) 1.726 3.399 ( 8.002 0.000 -0.643) 8.028 3.434 ( 5.376 0.000 1.902) 5.703 3.437 ( 2.371 0.000 2.483) 3.433 3.517 ( -2.472 0.000 3.969) 4.676 3.548 ( 6.951 0.000 1.799) 7.180 3.592 ( 0.750 0.000 -2.314) 2.433 3.617 ( -0.669 0.000 -0.163) 0.688 3.717 ( -3.221 0.000 -2.980) 4.388 3.784 ( -7.978 0.000 -4.822) 9.322 3.818 ( -2.140 0.000 -1.424) 2.570 3.838 ( -4.923 0.000 -0.840) 4.994 3.849 ( -5.031 0.000 -1.433) 5.231 3.876 ( 3.059 0.000 1.040) 3.231 3.886 ( 0.016 0.000 1.405) 1.406 3.943 ( 1.222 0.000 -2.007) 2.349 3.970 ( 1.443 0.000 2.566) 2.944 4.018 ( -5.990 0.000 5.365) 8.042 4.042 ( 0.898 0.000 4.307) 4.400 4.103 ( -1.202 0.000 0.886) 1.493 4.153 ( 3.282 0.000 0.606) 3.338 4.170 ( -1.691 0.000 -4.023) 4.364 4.250 ( -11.126 0.000 3.147) 11.563 4.329 ( -8.176 0.000 5.577) 9.897 4.341 ( 0.035 0.000 -1.209) 1.209 4.461 ( -0.689 0.000 -3.117) 3.193 4.512 ( 8.482 0.000 2.410) 8.818 4.539 ( 0.330 0.000 8.042) 8.049 4.556 ( -3.257 0.000 1.476) 3.576 4.613 ( -2.891 0.000 -3.194) 4.308 4.667 ( -5.183 0.000 -4.983) 7.190 4.676 ( -1.090 0.000 1.848) 2.146 4.794 ( -0.187 0.000 -2.514) 2.521 4.796 ( -1.726 0.000 2.601) 3.121 4.820 ( 3.334 0.000 -4.694) 5.758 4.878 ( 0.641 0.000 -0.646) 0.910 4.904 ( 0.683 0.000 -1.906) 2.025 4.923 ( 0.766 0.000 -0.841) 1.137 5.081 ( -2.301 0.000 -4.384) 4.951 5.105 ( 0.304 0.000 -3.021) 3.036 5.114 ( -0.634 0.000 -0.969) 1.158 5.159 ( 1.979 0.000 2.591) 3.260 5.242 ( 0.198 0.000 1.383) 1.397 5.272 ( -0.953 0.000 3.538) 3.665 5.292 ( 0.182 0.000 0.404) 0.443 5.326 ( -1.523 0.000 -1.405) 2.073 5.393 ( 3.682 0.000 -8.874) 9.608 5.397 ( -0.225 0.000 -0.160) 0.276 5.501 ( 0.530 0.000 0.209) 0.570 5.515 ( -0.432 0.000 5.483) 5.500 5.548 ( -5.248 0.000 -3.034) 6.062 5.612 ( -1.806 0.000 -6.720) 6.958 5.688 ( 2.684 0.000 -0.378) 2.711 5.783 ( 0.509 0.000 -2.628) 2.677 5.867 ( -2.849 0.000 1.828) 3.385 5.972 ( -1.289 0.000 -0.050) 1.290 5.987 ( -0.732 0.000 -2.356) 2.467 6.004 ( -0.324 0.000 -1.887) 1.914 6.279 ( -1.937 0.000 0.309) 1.961 6.347 ( -1.825 0.000 1.666) 2.471 6.403 ( 2.501 0.000 2.052) 3.235 6.411 ( -1.497 0.000 -1.440) 2.077 6.855 ( -2.642 0.000 0.865) 2.780 6.969 ( 2.239 0.000 -5.081) 5.553 7.041 ( -1.141 0.000 3.255) 3.449 7.093 ( 0.860 0.000 -3.460) 3.566 7.477 ( -1.222 0.000 1.774) 2.155 7.511 ( -0.468 0.000 -4.361) 4.386 7.539 ( -0.739 0.000 -5.529) 5.578 7.546 ( 1.125 0.000 3.501) 3.677 7.853 ( -0.889 0.000 1.242) 1.528 7.921 ( -1.684 0.000 3.055) 3.488 7.925 ( 3.563 0.000 -0.202) 3.568 7.938 ( -0.443 0.000 -2.137) 2.183 8.816 ( -2.947 0.000 10.106) 10.527 8.931 ( -4.278 0.000 12.051) 12.788 8.960 ( 0.015 0.000 4.523) 4.523 9.008 ( -2.977 0.000 -4.768) 5.621 9.141 ( 0.244 0.000 -1.540) 1.559 9.195 ( 3.228 0.000 -11.024) 11.487 9.257 ( 0.450 0.000 -3.290) 3.321 9.267 ( 3.393 0.000 -6.935) 7.720 9.427 ( -1.699 0.000 -2.626) 3.127 9.512 ( 2.909 0.000 4.049) 4.985 9.639 ( -3.283 0.000 1.833) 3.760 9.653 ( -2.579 0.000 0.881) 2.725 9.745 ( -2.416 0.000 -0.845) 2.559 9.858 ( -0.374 0.000 -2.878) 2.902 9.990 ( -1.680 0.000 5.037) 5.310 10.054 ( -4.944 0.000 2.003) 5.334 10.077 ( 0.362 0.000 -3.943) 3.960 10.188 ( -0.514 0.000 -1.225) 1.328 10.283 ( -6.088 0.000 7.152) 9.392 10.426 ( -2.403 0.000 -5.800) 6.278 10.840 ( 3.165 0.000 -3.697) 4.867 10.840 ( 2.736 0.000 -0.238) 2.747 11.067 ( 2.688 0.000 3.912) 4.747 11.142 ( 1.889 0.000 -7.062) 7.310 11.293 ( 0.013 0.000 12.794) 12.794 11.382 ( 0.610 0.000 -4.870) 4.908 11.446 ( 3.223 0.000 -7.492) 8.156 11.516 ( 2.678 0.000 10.367) 10.707 12.077 ( -3.964 0.000 9.009) 9.843 12.100 ( -3.883 0.000 8.567) 9.406 12.246 ( 0.396 0.000 -3.521) 3.543 12.267 ( 1.590 0.000 -5.793) 6.008 13.935 ( -0.599 0.000 2.262) 2.340 13.952 ( 0.599 0.000 -1.610) 1.718 14.086 ( -4.005 0.000 -2.229) 4.583 14.133 ( -0.818 0.000 3.137) 3.242 14.598 ( 0.266 0.000 -0.428) 0.504 14.670 ( 2.914 0.000 -3.027) 4.202 14.734 ( 3.011 0.000 1.245) 3.258 14.812 ( 6.613 0.000 -3.628) 7.543 15.824 ( -2.088 0.000 5.348) 5.741 15.923 ( 1.269 0.000 -5.295) 5.445 16.031 ( -6.646 0.000 2.938) 7.267 16.123 ( -1.934 0.000 -0.807) 2.095 18.730 ( -1.905 0.000 0.606) 1.999 18.733 ( -1.776 0.000 -0.071) 1.778 19.163 ( -12.185 0.000 0.647) 12.202 19.189 ( -10.290 0.000 -3.492) 10.866 20.500 ( -2.357 0.000 -3.253) 4.017 20.518 ( -2.815 0.000 -3.506) 4.496 20.547 ( 0.701 0.000 2.339) 2.442 20.567 ( -1.065 0.000 -0.080) 1.069 20.626 ( 2.198 0.000 0.327) 2.222 20.810 ( 9.208 0.000 -1.678) 9.359 20.865 ( 5.816 0.000 3.442) 6.759 20.886 ( 7.127 0.000 2.783) 7.652 21.015 ( 0.387 0.000 0.474) 0.612 21.160 ( -0.967 0.000 2.149) 2.357 21.173 ( 4.793 0.000 -1.403) 4.994 21.267 ( 5.238 0.000 -3.544) 6.324 21.431 ( 0.091 0.000 1.214) 1.218 21.441 ( 0.401 0.000 0.305) 0.504 21.493 ( 0.521 0.000 -0.005) 0.521 21.508 ( 3.353 0.000 -0.371) 3.374 21.600 ( -1.980 0.000 2.979) 3.578 21.708 ( -4.198 0.000 0.123) 4.199 21.766 ( 4.612 0.000 -0.338) 4.624 21.871 ( 3.840 0.000 0.502) 3.872 22.114 ( -2.468 0.000 7.675) 8.062 22.238 ( 0.662 0.000 -7.465) 7.495 22.418 ( -9.859 0.000 3.751) 10.548 22.644 ( -2.078 0.000 -0.918) 2.272 ======================= Grid point 53 (29/42) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 11.330 0.000 -8.897) 14.406 1.198 ( 7.806 0.000 -7.046) 10.515 1.570 ( 11.467 0.000 3.062) 11.868 1.657 ( 11.004 0.000 5.939) 12.504 1.820 ( 5.478 0.000 24.501) 25.105 1.953 ( -2.169 0.000 6.399) 6.756 1.984 ( 1.809 0.000 4.514) 4.863 2.057 ( 2.742 0.000 -0.047) 2.743 2.210 ( -0.055 0.000 0.056) 0.079 2.233 ( 2.927 0.000 -1.958) 3.521 2.264 ( 7.163 0.000 6.945) 9.977 2.312 ( 4.291 0.000 -0.320) 4.303 2.374 ( 13.916 0.000 4.945) 14.769 2.510 ( 3.466 0.000 7.140) 7.937 2.576 ( -0.846 0.000 2.718) 2.847 2.617 ( 2.505 0.000 -4.796) 5.410 2.641 ( 7.972 0.000 -1.013) 8.036 2.689 ( 0.783 0.000 -2.621) 2.735 2.767 ( 8.103 0.000 8.564) 11.790 2.817 ( -1.980 0.000 4.041) 4.500 2.852 ( 6.949 0.000 0.559) 6.972 2.874 ( -2.867 0.000 -0.433) 2.900 2.925 ( 2.374 0.000 -6.436) 6.860 2.987 ( 0.636 0.000 1.546) 1.672 2.997 ( -1.663 0.000 2.183) 2.744 3.010 ( 2.446 0.000 0.585) 2.515 3.066 ( 11.455 0.000 -5.718) 12.803 3.150 ( -0.577 0.000 -3.763) 3.807 3.159 ( -0.944 0.000 0.870) 1.284 3.168 ( -1.013 0.000 -1.153) 1.535 3.266 ( -2.573 0.000 0.113) 2.575 3.273 ( -2.854 0.000 3.012) 4.150 3.331 ( 4.468 0.000 -0.296) 4.478 3.347 ( 3.418 0.000 -7.456) 8.202 3.369 ( -4.063 0.000 -3.420) 5.310 3.422 ( -0.948 0.000 -3.608) 3.730 3.437 ( 0.708 0.000 1.523) 1.679 3.500 ( -7.540 0.000 0.349) 7.548 3.539 ( 0.089 0.000 -3.720) 3.721 3.545 ( 2.606 0.000 -0.399) 2.636 3.603 ( -5.472 0.000 0.349) 5.483 3.636 ( -1.129 0.000 -4.069) 4.222 3.663 ( 4.746 0.000 -0.827) 4.818 3.699 ( 2.608 0.000 0.381) 2.636 3.727 ( 2.537 0.000 -3.840) 4.603 3.754 ( -1.342 0.000 2.734) 3.045 3.838 ( 3.119 0.000 -3.757) 4.883 3.847 ( -4.265 0.000 0.786) 4.337 3.858 ( -3.862 0.000 4.574) 5.986 3.947 ( -7.933 0.000 2.068) 8.198 3.979 ( 5.467 0.000 -3.863) 6.694 3.988 ( -3.137 0.000 7.540) 8.167 4.079 ( -0.763 0.000 -4.085) 4.155 4.086 ( -0.016 0.000 2.528) 2.528 4.142 ( 2.034 0.000 4.437) 4.881 4.177 ( 2.351 0.000 1.396) 2.734 4.218 ( -5.002 0.000 4.816) 6.944 4.310 ( 7.102 0.000 4.253) 8.278 4.313 ( -0.831 0.000 0.839) 1.181 4.383 ( -2.181 0.000 -6.364) 6.728 4.472 ( -6.445 0.000 -2.691) 6.984 4.560 ( -1.578 0.000 2.313) 2.800 4.588 ( 1.510 0.000 -0.772) 1.696 4.610 ( 0.890 0.000 4.606) 4.691 4.633 ( -0.036 0.000 2.162) 2.162 4.681 ( -0.150 0.000 3.501) 3.505 4.739 ( -4.856 0.000 2.639) 5.526 4.759 ( 3.800 0.000 -8.395) 9.216 4.815 ( -2.024 0.000 -6.831) 7.124 4.835 ( -2.009 0.000 -2.066) 2.882 4.906 ( 0.922 0.000 0.325) 0.978 4.942 ( -1.626 0.000 0.941) 1.879 5.030 ( 0.071 0.000 -0.669) 0.672 5.072 ( -4.533 0.000 -0.103) 4.535 5.110 ( 1.078 0.000 -1.127) 1.560 5.165 ( -1.552 0.000 -1.079) 1.890 5.194 ( -3.437 0.000 -1.211) 3.645 5.277 ( 0.242 0.000 2.296) 2.309 5.317 ( 2.040 0.000 -5.092) 5.485 5.327 ( 0.869 0.000 3.378) 3.488 5.344 ( -3.879 0.000 -3.402) 5.159 5.391 ( 0.253 0.000 -0.014) 0.254 5.473 ( 3.421 0.000 -5.731) 6.674 5.483 ( -2.978 0.000 -4.719) 5.580 5.539 ( -0.782 0.000 1.357) 1.566 5.566 ( -0.344 0.000 3.409) 3.427 5.728 ( -2.736 0.000 -2.635) 3.798 5.729 ( -0.035 0.000 2.857) 2.857 5.833 ( -2.776 0.000 -0.177) 2.781 5.923 ( -3.043 0.000 -0.964) 3.192 5.934 ( -2.825 0.000 -1.566) 3.230 5.946 ( -2.829 0.000 -2.190) 3.578 6.249 ( -1.927 0.000 0.042) 1.927 6.322 ( -1.838 0.000 1.798) 2.571 6.343 ( -2.777 0.000 -2.036) 3.444 6.463 ( 0.867 0.000 2.521) 2.666 6.807 ( -3.013 0.000 1.963) 3.596 6.962 ( 0.849 0.000 -5.541) 5.605 7.039 ( -1.585 0.000 3.640) 3.971 7.088 ( 1.414 0.000 -4.363) 4.587 7.452 ( -1.894 0.000 0.350) 1.926 7.453 ( -1.929 0.000 -4.619) 5.006 7.474 ( -1.992 0.000 -3.821) 4.309 7.544 ( -3.046 0.000 0.711) 3.128 7.846 ( -1.330 0.000 2.882) 3.174 7.914 ( 0.488 0.000 -3.040) 3.079 7.932 ( -0.513 0.000 5.797) 5.820 8.008 ( 4.553 0.000 -1.335) 4.745 8.852 ( -0.979 0.000 10.260) 10.307 8.912 ( -1.486 0.000 -2.533) 2.937 8.925 ( -4.272 0.000 11.221) 12.007 9.011 ( -0.088 0.000 4.470) 4.471 9.124 ( -0.136 0.000 -3.047) 3.050 9.193 ( 4.063 0.000 -10.713) 11.457 9.226 ( -2.214 0.000 0.093) 2.215 9.284 ( 3.552 0.000 -8.093) 8.839 9.388 ( -0.682 0.000 -1.727) 1.857 9.571 ( -3.120 0.000 0.292) 3.134 9.595 ( -0.731 0.000 2.583) 2.685 9.615 ( 0.306 0.000 4.193) 4.205 9.725 ( 2.124 0.000 -2.704) 3.438 9.817 ( -1.892 0.000 -0.987) 2.134 9.911 ( -6.597 0.000 0.384) 6.608 10.002 ( -4.402 0.000 -0.847) 4.483 10.031 ( -0.596 0.000 3.855) 3.901 10.197 ( -5.643 0.000 3.805) 6.806 10.206 ( 2.000 0.000 -2.530) 3.225 10.355 ( -1.232 0.000 -3.400) 3.616 10.888 ( 1.301 0.000 0.589) 1.428 10.889 ( 4.048 0.000 -4.327) 5.925 11.123 ( 2.566 0.000 -7.669) 8.087 11.142 ( 1.524 0.000 3.899) 4.186 11.403 ( 1.614 0.000 12.166) 12.272 11.436 ( 5.658 0.000 -3.020) 6.414 11.485 ( 5.052 0.000 -5.051) 7.144 11.606 ( -0.433 0.000 8.244) 8.256 12.043 ( -4.461 0.000 7.282) 8.540 12.114 ( -1.736 0.000 7.753) 7.945 12.192 ( -1.734 0.000 -5.684) 5.942 12.257 ( 0.810 0.000 -4.678) 4.748 13.931 ( -1.061 0.000 2.048) 2.307 13.954 ( 0.885 0.000 -2.217) 2.388 13.998 ( -3.492 0.000 -0.397) 3.515 14.116 ( -2.205 0.000 1.121) 2.473 14.638 ( 2.939 0.000 1.710) 3.400 14.726 ( 4.527 0.000 -3.173) 5.529 14.799 ( 1.963 0.000 1.810) 2.670 14.886 ( 3.927 0.000 -4.857) 6.246 15.818 ( -2.179 0.000 5.202) 5.640 15.912 ( 1.377 0.000 -5.086) 5.269 15.932 ( -5.829 0.000 4.605) 7.428 16.054 ( -3.013 0.000 -3.110) 4.330 18.684 ( -2.585 0.000 0.111) 2.587 18.688 ( -2.013 0.000 -0.937) 2.221 18.928 ( -11.339 0.000 1.879) 11.493 18.944 ( -10.214 0.000 -3.550) 10.813 20.463 ( 0.128 0.000 -1.663) 1.668 20.478 ( 0.446 0.000 -0.670) 0.805 20.550 ( -0.254 0.000 0.824) 0.862 20.568 ( -0.636 0.000 1.071) 1.246 20.711 ( 5.410 0.000 1.280) 5.560 20.922 ( 4.184 0.000 -0.317) 4.196 20.945 ( 0.304 0.000 2.095) 2.117 21.042 ( 6.331 0.000 -1.971) 6.631 21.069 ( 2.436 0.000 1.712) 2.978 21.174 ( 1.689 0.000 1.835) 2.494 21.197 ( 0.177 0.000 -0.177) 0.251 21.353 ( 3.398 0.000 -2.725) 4.356 21.454 ( 0.481 0.000 0.509) 0.700 21.468 ( 2.408 0.000 1.758) 2.982 21.502 ( 0.493 0.000 -0.308) 0.581 21.589 ( -1.520 0.000 2.967) 3.333 21.608 ( -0.177 0.000 -5.501) 5.504 21.638 ( 4.653 0.000 2.111) 5.110 21.854 ( 3.319 0.000 0.765) 3.406 21.942 ( 2.755 0.000 -0.014) 2.755 22.109 ( -2.719 0.000 5.530) 6.163 22.189 ( 0.213 0.000 -7.798) 7.801 22.292 ( -6.115 0.000 6.350) 8.816 22.530 ( -6.640 0.000 -3.187) 7.366 ======================= Grid point 54 (30/42) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 16.128 0.000 -5.199) 16.945 1.404 ( 14.022 0.000 0.813) 14.045 1.682 ( 3.089 0.000 1.714) 3.533 1.938 ( -7.624 0.000 3.206) 8.271 1.955 ( -5.138 0.000 -3.922) 6.464 2.021 ( 1.055 0.000 6.274) 6.362 2.057 ( 14.370 0.000 9.598) 17.281 2.071 ( 2.946 0.000 19.004) 19.231 2.224 ( 4.222 0.000 1.574) 4.506 2.284 ( 2.611 0.000 -5.662) 6.235 2.363 ( -0.143 0.000 4.762) 4.764 2.364 ( -0.327 0.000 0.155) 0.362 2.540 ( -2.698 0.000 8.870) 9.271 2.615 ( 0.731 0.000 1.249) 1.447 2.644 ( 0.975 0.000 0.897) 1.325 2.703 ( 10.566 0.000 -4.832) 11.619 2.710 ( 1.915 0.000 1.929) 2.718 2.734 ( 2.190 0.000 2.083) 3.023 2.787 ( -0.213 0.000 4.760) 4.765 2.798 ( -2.079 0.000 1.793) 2.746 2.868 ( -1.325 0.000 -0.608) 1.458 2.954 ( 1.168 0.000 -0.812) 1.423 2.976 ( -0.954 0.000 1.953) 2.173 2.983 ( -2.858 0.000 -0.796) 2.967 3.062 ( 4.161 0.000 -3.756) 5.605 3.066 ( 0.506 0.000 4.138) 4.169 3.081 ( -2.430 0.000 -3.297) 4.096 3.119 ( 1.620 0.000 1.347) 2.107 3.158 ( -5.970 0.000 -1.902) 6.265 3.178 ( -4.197 0.000 1.148) 4.351 3.208 ( 2.738 0.000 3.698) 4.601 3.211 ( 3.303 0.000 -0.754) 3.388 3.282 ( -2.008 0.000 0.139) 2.013 3.351 ( -1.588 0.000 -2.748) 3.174 3.359 ( -6.192 0.000 -1.118) 6.292 3.430 ( -0.499 0.000 1.829) 1.895 3.432 ( 5.853 0.000 -6.843) 9.005 3.439 ( -2.111 0.000 -1.802) 2.775 3.528 ( 9.481 0.000 -7.207) 11.909 3.547 ( 6.031 0.000 4.008) 7.242 3.613 ( 0.629 0.000 -1.192) 1.347 3.623 ( 0.383 0.000 2.246) 2.279 3.655 ( -5.377 0.000 5.176) 7.464 3.660 ( -0.320 0.000 -5.264) 5.274 3.749 ( -0.758 0.000 -0.013) 0.759 3.764 ( -1.729 0.000 -7.401) 7.600 3.802 ( -1.547 0.000 0.421) 1.603 3.835 ( -4.152 0.000 5.455) 6.856 3.867 ( 5.457 0.000 1.363) 5.625 3.930 ( 5.077 0.000 -4.276) 6.638 3.979 ( 0.368 0.000 4.399) 4.415 3.991 ( -2.625 0.000 -6.365) 6.885 4.108 ( 8.219 0.000 -6.258) 10.330 4.121 ( -3.111 0.000 -2.917) 4.265 4.206 ( 2.683 0.000 5.042) 5.711 4.236 ( 2.837 0.000 -2.451) 3.749 4.264 ( 6.161 0.000 0.038) 6.162 4.315 ( 0.076 0.000 -0.229) 0.241 4.315 ( -0.617 0.000 -4.765) 4.805 4.370 ( 3.709 0.000 2.085) 4.255 4.497 ( 6.777 0.000 0.868) 6.832 4.550 ( -1.808 0.000 2.444) 3.040 4.557 ( -7.132 0.000 2.548) 7.573 4.626 ( -1.997 0.000 2.062) 2.871 4.638 ( 0.209 0.000 2.158) 2.168 4.675 ( -1.664 0.000 2.521) 3.020 4.688 ( -4.225 0.000 4.531) 6.195 4.739 ( -1.337 0.000 -3.381) 3.636 4.788 ( -2.585 0.000 2.519) 3.609 4.797 ( 3.882 0.000 -4.843) 6.206 4.893 ( -2.268 0.000 -0.714) 2.377 4.898 ( 0.413 0.000 -2.903) 2.932 4.947 ( -6.595 0.000 -0.819) 6.646 5.017 ( -1.859 0.000 3.840) 4.266 5.065 ( -4.792 0.000 -4.472) 6.554 5.108 ( -1.920 0.000 -2.556) 3.197 5.152 ( -1.872 0.000 0.246) 1.888 5.254 ( -0.692 0.000 0.246) 0.735 5.303 ( -0.952 0.000 3.628) 3.751 5.340 ( -1.052 0.000 -0.286) 1.090 5.353 ( 4.174 0.000 -5.978) 7.291 5.399 ( 0.494 0.000 -3.404) 3.439 5.470 ( 3.857 0.000 4.507) 5.932 5.508 ( 3.384 0.000 -4.895) 5.951 5.550 ( 1.676 0.000 -1.709) 2.393 5.566 ( -0.666 0.000 1.464) 1.608 5.655 ( -3.609 0.000 -0.888) 3.717 5.696 ( -4.087 0.000 0.374) 4.104 5.755 ( -2.174 0.000 0.070) 2.176 5.867 ( -2.525 0.000 0.591) 2.594 5.872 ( -3.016 0.000 0.564) 3.069 5.904 ( 0.061 0.000 -0.735) 0.738 6.184 ( -2.732 0.000 -0.323) 2.751 6.280 ( -3.663 0.000 1.108) 3.827 6.327 ( 1.493 0.000 -0.835) 1.711 6.454 ( -2.693 0.000 0.104) 2.695 6.773 ( -2.035 0.000 3.114) 3.720 6.930 ( 0.420 0.000 -6.391) 6.405 7.029 ( -1.916 0.000 3.503) 3.993 7.087 ( 1.889 0.000 -5.004) 5.348 7.388 ( -1.211 0.000 -3.010) 3.245 7.413 ( -1.685 0.000 -0.954) 1.936 7.419 ( -0.940 0.000 -2.619) 2.782 7.464 ( -4.031 0.000 -0.733) 4.097 7.841 ( -1.547 0.000 3.708) 4.018 7.915 ( 1.869 0.000 -3.927) 4.349 7.969 ( -0.620 0.000 7.027) 7.054 8.074 ( 3.061 0.000 -2.087) 3.705 8.901 ( 0.766 0.000 0.172) 0.785 8.907 ( -1.357 0.000 9.006) 9.108 8.932 ( -2.894 0.000 12.622) 12.950 9.033 ( -0.515 0.000 3.708) 3.744 9.096 ( 0.146 0.000 -4.499) 4.501 9.178 ( -3.109 0.000 1.907) 3.648 9.205 ( 4.586 0.000 -9.624) 10.661 9.283 ( 2.633 0.000 -9.917) 10.261 9.379 ( 0.337 0.000 0.607) 0.694 9.544 ( -2.829 0.000 -0.973) 2.992 9.552 ( 1.505 0.000 -0.658) 1.643 9.683 ( 1.489 0.000 3.366) 3.681 9.736 ( -5.482 0.000 3.701) 6.615 9.779 ( -2.301 0.000 2.431) 3.347 9.828 ( 3.388 0.000 -4.797) 5.872 9.917 ( -3.450 0.000 -0.651) 3.511 10.046 ( -0.628 0.000 3.478) 3.534 10.146 ( -1.543 0.000 3.845) 4.143 10.207 ( 0.242 0.000 -3.650) 3.658 10.313 ( -1.045 0.000 -3.151) 3.320 10.889 ( -1.848 0.000 1.438) 2.341 10.928 ( 3.856 0.000 -6.657) 7.693 11.154 ( 5.731 0.000 -7.152) 9.165 11.172 ( -1.424 0.000 3.612) 3.883 11.505 ( -0.337 0.000 10.759) 10.764 11.520 ( 4.545 0.000 -2.144) 5.025 11.569 ( 4.907 0.000 -0.974) 5.003 11.620 ( -2.448 0.000 4.734) 5.329 12.006 ( -4.104 0.000 6.194) 7.430 12.125 ( 0.036 0.000 -6.992) 6.992 12.126 ( -2.079 0.000 6.350) 6.682 12.237 ( 0.803 0.000 -4.555) 4.626 13.924 ( -1.414 0.000 1.741) 2.243 13.952 ( -1.106 0.000 1.877) 2.178 13.955 ( 0.859 0.000 -2.511) 2.654 14.070 ( -2.317 0.000 -0.738) 2.432 14.712 ( 1.927 0.000 3.912) 4.361 14.793 ( 4.273 0.000 -3.120) 5.291 14.832 ( 0.016 0.000 1.998) 1.998 14.908 ( 1.998 0.000 -4.971) 5.357 15.815 ( -1.806 0.000 5.197) 5.502 15.865 ( -4.287 0.000 4.803) 6.438 15.908 ( 1.879 0.000 -4.891) 5.239 15.979 ( -1.483 0.000 -4.573) 4.808 18.641 ( -1.538 0.000 0.244) 1.557 18.657 ( 0.007 0.000 -1.214) 1.214 18.754 ( -7.132 0.000 1.312) 7.252 18.758 ( -6.119 0.000 -2.516) 6.616 20.473 ( 1.320 0.000 -0.174) 1.331 20.506 ( 1.722 0.000 0.852) 1.921 20.548 ( -1.559 0.000 0.076) 1.561 20.554 ( -0.279 0.000 0.963) 1.002 20.846 ( 5.940 0.000 2.964) 6.639 20.958 ( 0.211 0.000 1.791) 1.803 20.987 ( 2.289 0.000 0.022) 2.289 21.081 ( 0.756 0.000 -5.087) 5.143 21.098 ( 0.031 0.000 2.234) 2.234 21.220 ( 1.193 0.000 1.708) 2.083 21.235 ( 1.815 0.000 1.950) 2.664 21.358 ( -0.630 0.000 -3.363) 3.421 21.463 ( 0.072 0.000 0.344) 0.352 21.499 ( -3.274 0.000 0.103) 3.276 21.512 ( 0.821 0.000 -0.314) 0.879 21.542 ( 2.116 0.000 -2.011) 2.919 21.605 ( 0.895 0.000 3.146) 3.271 21.784 ( 6.373 0.000 0.086) 6.374 21.874 ( -1.461 0.000 -1.651) 2.204 21.973 ( 0.206 0.000 -0.407) 0.456 22.087 ( -2.646 0.000 3.605) 4.472 22.147 ( 1.345 0.000 -7.641) 7.759 22.256 ( -2.699 0.000 6.974) 7.478 22.396 ( -2.957 0.000 -3.895) 4.890 ======================= Grid point 55 (31/42) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -12.689 0.000 -1.014) 12.730 1.629 ( 13.711 0.000 -3.196) 14.079 1.684 ( 10.173 0.000 2.369) 10.445 1.752 ( -10.603 0.000 -3.755) 11.248 1.929 ( 7.440 0.000 5.618) 9.323 2.041 ( -4.821 0.000 -3.963) 6.241 2.194 ( 1.831 0.000 10.152) 10.316 2.230 ( -2.390 0.000 4.477) 5.075 2.270 ( -2.474 0.000 -1.391) 2.838 2.291 ( 0.878 0.000 0.515) 1.018 2.440 ( 1.323 0.000 8.743) 8.842 2.454 ( 7.332 0.000 7.649) 10.596 2.514 ( -10.530 0.000 12.492) 16.338 2.583 ( -6.942 0.000 0.407) 6.953 2.642 ( -0.779 0.000 1.726) 1.894 2.661 ( -3.967 0.000 4.561) 6.045 2.731 ( 0.388 0.000 4.016) 4.035 2.765 ( 4.290 0.000 -1.571) 4.568 2.799 ( -8.351 0.000 -1.740) 8.531 2.823 ( 4.345 0.000 -0.547) 4.379 2.909 ( 3.859 0.000 -1.842) 4.276 2.919 ( -0.059 0.000 2.196) 2.197 2.953 ( 0.450 0.000 -0.577) 0.732 2.973 ( 0.370 0.000 -0.630) 0.731 3.031 ( -1.612 0.000 -6.521) 6.717 3.037 ( -2.404 0.000 3.168) 3.977 3.077 ( 0.969 0.000 -0.346) 1.029 3.085 ( 1.030 0.000 -1.412) 1.748 3.158 ( -2.986 0.000 -1.093) 3.179 3.166 ( -5.623 0.000 1.021) 5.714 3.203 ( 3.414 0.000 4.821) 5.908 3.212 ( 3.485 0.000 -0.695) 3.553 3.239 ( -1.340 0.000 -1.338) 1.894 3.310 ( -1.961 0.000 -6.554) 6.841 3.371 ( 3.641 0.000 -0.087) 3.642 3.375 ( 2.093 0.000 -0.965) 2.305 3.501 ( 1.078 0.000 3.703) 3.857 3.508 ( -0.312 0.000 5.835) 5.843 3.520 ( -9.403 0.000 7.249) 11.873 3.588 ( 0.195 0.000 -0.953) 0.972 3.613 ( -4.578 0.000 0.754) 4.640 3.644 ( 0.347 0.000 -5.991) 6.001 3.647 ( 3.070 0.000 -4.147) 5.160 3.718 ( -1.794 0.000 5.577) 5.859 3.730 ( 0.190 0.000 1.326) 1.340 3.754 ( 6.531 0.000 1.655) 6.737 3.777 ( -4.862 0.000 0.217) 4.867 3.838 ( 7.127 0.000 -8.401) 11.017 3.845 ( -8.502 0.000 1.800) 8.690 3.910 ( 3.617 0.000 -7.622) 8.437 3.988 ( -2.371 0.000 -0.112) 2.374 3.991 ( 0.509 0.000 -1.925) 1.991 4.051 ( 1.801 0.000 -2.993) 3.493 4.149 ( 3.047 0.000 -9.681) 10.149 4.246 ( -0.335 0.000 -1.511) 1.548 4.274 ( 0.048 0.000 -2.095) 2.096 4.322 ( 5.768 0.000 3.216) 6.604 4.368 ( -3.443 0.000 1.888) 3.927 4.369 ( 2.112 0.000 -4.820) 5.263 4.448 ( 2.029 0.000 -2.398) 3.141 4.471 ( 2.274 0.000 0.461) 2.320 4.479 ( -2.846 0.000 0.319) 2.864 4.583 ( -5.966 0.000 4.088) 7.233 4.621 ( 4.426 0.000 0.881) 4.512 4.627 ( -1.510 0.000 5.047) 5.268 4.639 ( -0.433 0.000 1.891) 1.940 4.715 ( -2.481 0.000 2.516) 3.534 4.736 ( 3.692 0.000 0.669) 3.752 4.759 ( 2.870 0.000 4.727) 5.530 4.828 ( 1.818 0.000 -2.560) 3.140 4.829 ( -2.530 0.000 0.492) 2.577 4.867 ( -4.389 0.000 -2.813) 5.213 4.868 ( -1.629 0.000 -0.621) 1.743 4.952 ( 1.358 0.000 -5.170) 5.345 5.028 ( 1.412 0.000 -0.025) 1.412 5.056 ( -0.708 0.000 -4.661) 4.714 5.173 ( 2.866 0.000 7.102) 7.659 5.289 ( -2.386 0.000 2.622) 3.545 5.294 ( 1.616 0.000 2.877) 3.299 5.296 ( -1.437 0.000 -3.986) 4.237 5.367 ( -1.896 0.000 -2.576) 3.198 5.387 ( 3.230 0.000 -5.235) 6.152 5.513 ( -1.373 0.000 -0.390) 1.427 5.548 ( 1.139 0.000 -2.744) 2.971 5.555 ( -2.043 0.000 1.526) 2.550 5.587 ( 2.510 0.000 -2.712) 3.696 5.623 ( 3.741 0.000 -1.638) 4.084 5.634 ( -0.103 0.000 -1.865) 1.868 5.804 ( 3.288 0.000 0.904) 3.410 5.826 ( -1.550 0.000 -0.771) 1.731 5.859 ( 3.051 0.000 2.278) 3.807 5.897 ( -0.393 0.000 -1.905) 1.945 6.189 ( 2.616 0.000 2.045) 3.321 6.213 ( -2.558 0.000 0.122) 2.561 6.364 ( 2.645 0.000 -0.142) 2.649 6.373 ( -4.125 0.000 -1.534) 4.401 6.775 ( -0.375 0.000 4.395) 4.411 6.895 ( 0.946 0.000 -6.961) 7.025 7.013 ( -1.953 0.000 3.072) 3.641 7.096 ( 2.601 0.000 -4.958) 5.599 7.374 ( 1.349 0.000 -1.408) 1.950 7.377 ( -0.931 0.000 -1.474) 1.744 7.398 ( -1.812 0.000 -0.508) 1.882 7.410 ( 1.722 0.000 -1.648) 2.383 7.837 ( -1.681 0.000 4.200) 4.524 7.922 ( 1.513 0.000 -4.139) 4.406 7.999 ( -1.477 0.000 6.723) 6.883 8.095 ( 0.860 0.000 -2.836) 2.964 8.912 ( -3.693 0.000 7.920) 8.739 8.925 ( 0.425 0.000 2.068) 2.111 8.987 ( -1.799 0.000 13.283) 13.404 9.048 ( -0.056 0.000 2.286) 2.287 9.069 ( 0.483 0.000 -4.625) 4.650 9.139 ( -1.722 0.000 1.165) 2.080 9.237 ( 4.599 0.000 -9.650) 10.690 9.250 ( 2.409 0.000 -10.591) 10.862 9.412 ( 1.512 0.000 3.389) 3.711 9.474 ( -2.599 0.000 -3.004) 3.972 9.610 ( 4.145 0.000 -0.427) 4.167 9.612 ( -5.399 0.000 -0.098) 5.400 9.743 ( -0.504 0.000 7.469) 7.486 9.754 ( -3.387 0.000 5.555) 6.506 9.864 ( -0.323 0.000 -2.710) 2.729 9.876 ( 3.759 0.000 -5.418) 6.594 10.073 ( 0.639 0.000 4.413) 4.459 10.166 ( -1.360 0.000 -4.183) 4.399 10.181 ( 1.266 0.000 4.411) 4.590 10.265 ( -1.079 0.000 -3.855) 4.003 10.847 ( -3.515 0.000 3.012) 4.629 10.955 ( 4.004 0.000 -7.411) 8.424 11.136 ( -4.133 0.000 2.491) 4.825 11.231 ( 6.238 0.000 -6.714) 9.165 11.520 ( -4.785 0.000 7.802) 9.153 11.590 ( 3.125 0.000 0.312) 3.140 11.591 ( -3.436 0.000 3.489) 4.896 11.644 ( 2.788 0.000 -0.512) 2.835 11.968 ( -3.901 0.000 5.988) 7.146 12.105 ( 2.760 0.000 -6.533) 7.091 12.126 ( -2.088 0.000 5.735) 6.103 12.231 ( 1.850 0.000 -4.519) 4.883 13.905 ( -1.506 0.000 2.308) 2.756 13.954 ( 0.935 0.000 -2.379) 2.556 13.976 ( 1.329 0.000 2.720) 3.027 14.021 ( -1.635 0.000 -1.633) 2.311 14.755 ( -0.708 0.000 4.008) 4.070 14.832 ( -1.269 0.000 2.259) 2.591 14.843 ( 2.961 0.000 -3.833) 4.844 14.898 ( 0.517 0.000 -4.732) 4.760 15.819 ( -2.190 0.000 5.220) 5.661 15.831 ( -1.860 0.000 5.132) 5.458 15.920 ( 2.642 0.000 -4.590) 5.296 15.935 ( 0.486 0.000 -4.854) 4.878 18.636 ( 0.307 0.000 1.247) 1.284 18.663 ( -2.120 0.000 -1.385) 2.533 18.664 ( -2.215 0.000 0.390) 2.249 18.682 ( 3.578 0.000 -1.288) 3.803 20.506 ( 1.803 0.000 0.358) 1.838 20.512 ( -1.802 0.000 -0.197) 1.813 20.544 ( 1.323 0.000 0.752) 1.521 20.550 ( -0.628 0.000 0.072) 0.632 20.942 ( 0.515 0.000 4.149) 4.181 20.997 ( 2.132 0.000 0.725) 2.251 21.007 ( -0.099 0.000 -0.627) 0.635 21.034 ( -2.029 0.000 -4.429) 4.872 21.138 ( 2.046 0.000 5.360) 5.737 21.227 ( -1.432 0.000 -1.970) 2.435 21.257 ( -0.776 0.000 1.466) 1.659 21.301 ( -0.949 0.000 -3.286) 3.420 21.461 ( -0.588 0.000 0.599) 0.839 21.463 ( -0.139 0.000 0.196) 0.240 21.528 ( 0.731 0.000 -0.004) 0.731 21.543 ( -0.396 0.000 -2.241) 2.275 21.685 ( 3.106 0.000 6.044) 6.795 21.794 ( -3.617 0.000 -4.357) 5.663 21.886 ( 3.247 0.000 2.237) 3.943 21.923 ( -4.153 0.000 -1.775) 4.516 22.054 ( -3.033 0.000 2.754) 4.097 22.147 ( 3.341 0.000 -5.729) 6.632 22.271 ( -0.252 0.000 4.930) 4.936 22.366 ( 2.075 0.000 -4.242) 4.722 ======================= Grid point 56 (32/42) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -17.733 0.000 0.566) 17.742 1.458 ( -15.022 0.000 -3.300) 15.381 1.754 ( -2.079 0.000 -5.613) 5.986 1.819 ( 0.900 0.000 5.948) 6.015 2.013 ( 9.337 0.000 -3.851) 10.100 2.066 ( -2.900 0.000 0.099) 2.902 2.139 ( -2.424 0.000 5.355) 5.878 2.176 ( -10.155 0.000 0.060) 10.155 2.253 ( -14.727 0.000 4.478) 15.393 2.320 ( -5.405 0.000 11.813) 12.991 2.338 ( 5.101 0.000 -2.195) 5.554 2.427 ( -0.894 0.000 -1.173) 1.475 2.449 ( -5.619 0.000 2.444) 6.127 2.573 ( -7.685 0.000 14.167) 16.117 2.574 ( -0.799 0.000 5.100) 5.162 2.700 ( -3.162 0.000 3.044) 4.389 2.723 ( -5.747 0.000 0.306) 5.755 2.769 ( 5.796 0.000 0.272) 5.802 2.815 ( -1.705 0.000 -9.071) 9.230 2.839 ( -1.567 0.000 2.022) 2.558 2.905 ( -0.921 0.000 -1.788) 2.012 2.925 ( 2.520 0.000 7.306) 7.728 2.960 ( -1.741 0.000 0.308) 1.768 2.990 ( 0.269 0.000 -1.921) 1.939 3.009 ( 2.596 0.000 -4.337) 5.054 3.022 ( 0.652 0.000 -2.800) 2.875 3.050 ( -1.894 0.000 6.777) 7.037 3.105 ( 0.517 0.000 2.270) 2.328 3.135 ( 2.782 0.000 -2.082) 3.475 3.201 ( -3.007 0.000 1.811) 3.510 3.224 ( -15.151 0.000 7.651) 16.973 3.235 ( 4.765 0.000 -1.686) 5.054 3.258 ( -10.954 0.000 2.623) 11.264 3.299 ( 2.688 0.000 -1.352) 3.009 3.332 ( 7.169 0.000 2.915) 7.739 3.353 ( 2.816 0.000 -3.572) 4.548 3.362 ( -0.409 0.000 -2.775) 2.805 3.490 ( -5.141 0.000 0.647) 5.181 3.516 ( -0.434 0.000 -3.236) 3.265 3.566 ( 0.961 0.000 -0.698) 1.187 3.571 ( -1.827 0.000 -0.199) 1.837 3.656 ( -2.068 0.000 0.727) 2.192 3.672 ( 7.732 0.000 -1.084) 7.807 3.688 ( -3.084 0.000 -0.724) 3.168 3.708 ( -4.015 0.000 6.685) 7.798 3.736 ( 3.355 0.000 -1.102) 3.532 3.781 ( 2.130 0.000 8.577) 8.837 3.804 ( -2.540 0.000 -4.312) 5.004 3.840 ( -6.301 0.000 3.583) 7.248 3.943 ( 2.555 0.000 -4.890) 5.518 3.959 ( -0.136 0.000 1.963) 1.968 4.020 ( 7.380 0.000 0.437) 7.392 4.077 ( 0.630 0.000 -4.272) 4.318 4.163 ( -7.876 0.000 3.146) 8.481 4.166 ( 3.477 0.000 -10.852) 11.395 4.252 ( -3.257 0.000 -2.458) 4.080 4.309 ( 0.022 0.000 0.113) 0.115 4.324 ( -5.642 0.000 -2.324) 6.102 4.339 ( 5.551 0.000 -6.071) 8.226 4.399 ( -0.169 0.000 -0.148) 0.225 4.503 ( -3.982 0.000 0.824) 4.066 4.546 ( 2.893 0.000 0.885) 3.025 4.585 ( 5.330 0.000 0.906) 5.406 4.638 ( -0.803 0.000 1.383) 1.599 4.644 ( -0.153 0.000 3.540) 3.543 4.671 ( -2.445 0.000 1.647) 2.948 4.719 ( 2.202 0.000 -0.634) 2.291 4.781 ( 1.998 0.000 -2.278) 3.030 4.798 ( -0.431 0.000 -0.697) 0.820 4.799 ( -3.512 0.000 -0.355) 3.530 4.808 ( 2.232 0.000 0.757) 2.357 4.890 ( 5.181 0.000 -0.041) 5.182 4.962 ( 6.846 0.000 5.199) 8.596 4.999 ( 4.101 0.000 -4.663) 6.209 5.045 ( 4.141 0.000 -0.956) 4.250 5.071 ( 2.217 0.000 1.294) 2.567 5.228 ( -2.134 0.000 -3.746) 4.311 5.273 ( -4.844 0.000 -1.257) 5.005 5.282 ( 0.805 0.000 -1.941) 2.102 5.298 ( 2.792 0.000 4.602) 5.382 5.329 ( 0.459 0.000 2.376) 2.420 5.404 ( 1.219 0.000 -4.863) 5.014 5.489 ( -0.057 0.000 1.681) 1.682 5.489 ( -2.825 0.000 -1.469) 3.184 5.569 ( -0.454 0.000 -5.574) 5.592 5.578 ( 1.945 0.000 -0.533) 2.017 5.675 ( 3.930 0.000 -1.809) 4.326 5.705 ( 5.285 0.000 -0.997) 5.378 5.797 ( 0.770 0.000 -3.530) 3.613 5.862 ( 2.778 0.000 1.216) 3.033 5.897 ( 2.272 0.000 -1.849) 2.929 5.952 ( 3.759 0.000 -4.469) 5.840 6.197 ( 1.456 0.000 -1.169) 1.867 6.278 ( 3.832 0.000 1.550) 4.133 6.303 ( -2.216 0.000 0.729) 2.332 6.442 ( 4.318 0.000 1.533) 4.582 6.817 ( 1.099 0.000 4.534) 4.666 6.874 ( 2.045 0.000 -6.592) 6.903 7.002 ( -1.294 0.000 3.097) 3.357 7.116 ( 2.744 0.000 -4.913) 5.628 7.361 ( 0.253 0.000 -0.368) 0.446 7.387 ( 0.590 0.000 0.552) 0.808 7.413 ( 3.146 0.000 -1.183) 3.362 7.468 ( 4.943 0.000 -1.126) 5.069 7.836 ( -1.147 0.000 3.802) 3.972 7.912 ( 0.215 0.000 -3.357) 3.364 8.001 ( -2.625 0.000 5.206) 5.831 8.073 ( -0.870 0.000 -3.130) 3.248 8.876 ( -4.962 0.000 6.652) 8.298 8.938 ( -1.083 0.000 3.069) 3.255 9.018 ( -3.588 0.000 8.298) 9.041 9.064 ( 0.434 0.000 1.178) 1.255 9.065 ( 0.639 0.000 0.822) 1.041 9.133 ( 1.191 0.000 -0.401) 1.256 9.195 ( 2.038 0.000 -12.138) 12.307 9.288 ( 5.156 0.000 -8.418) 9.872 9.407 ( -1.930 0.000 -2.406) 3.085 9.483 ( 2.457 0.000 5.033) 5.601 9.540 ( -1.517 0.000 0.460) 1.586 9.674 ( 0.636 0.000 0.794) 1.017 9.725 ( -2.664 0.000 4.510) 5.238 9.769 ( -1.555 0.000 5.833) 6.037 9.874 ( 4.095 0.000 -4.171) 5.845 9.922 ( 4.259 0.000 -3.251) 5.358 10.108 ( -1.123 0.000 4.964) 5.089 10.113 ( -0.508 0.000 -3.427) 3.465 10.225 ( 0.324 0.000 -3.999) 4.012 10.238 ( 1.019 0.000 4.216) 4.337 10.812 ( -2.336 0.000 4.989) 5.509 10.976 ( 2.942 0.000 -6.908) 7.509 11.057 ( -4.863 0.000 1.713) 5.156 11.278 ( 2.805 0.000 -6.899) 7.448 11.449 ( -6.528 0.000 5.498) 8.535 11.519 ( -6.389 0.000 3.520) 7.294 11.641 ( -0.134 0.000 1.703) 1.708 11.671 ( 2.487 0.000 -3.453) 4.255 11.955 ( -2.006 0.000 8.714) 8.942 12.132 ( 4.056 0.000 -5.812) 7.087 12.135 ( -0.762 0.000 5.437) 5.491 12.240 ( 2.227 0.000 -4.765) 5.260 13.899 ( -1.026 0.000 2.770) 2.954 13.959 ( 0.939 0.000 -1.777) 2.010 13.988 ( -0.354 0.000 -1.491) 1.532 14.037 ( 2.843 0.000 2.421) 3.734 14.737 ( -3.225 0.000 2.403) 4.022 14.823 ( -1.725 0.000 3.357) 3.774 14.831 ( -0.650 0.000 -7.697) 7.724 14.874 ( -0.275 0.000 -2.010) 2.029 15.805 ( -2.239 0.000 5.084) 5.555 15.866 ( 0.801 0.000 6.403) 6.452 15.921 ( 1.747 0.000 -5.103) 5.394 15.954 ( 3.660 0.000 -3.942) 5.379 18.634 ( 0.043 0.000 0.905) 0.906 18.644 ( 0.631 0.000 -0.176) 0.655 18.712 ( 4.804 0.000 1.899) 5.166 18.789 ( 8.277 0.000 -1.987) 8.512 20.475 ( -1.637 0.000 -0.328) 1.670 20.526 ( -1.519 0.000 -0.956) 1.795 20.543 ( 1.357 0.000 0.376) 1.408 20.569 ( 1.156 0.000 -0.240) 1.181 20.915 ( -6.480 0.000 -3.656) 7.440 20.946 ( -3.363 0.000 4.851) 5.903 20.997 ( 0.239 0.000 -2.116) 2.129 21.023 ( 0.981 0.000 -0.385) 1.054 21.172 ( -0.450 0.000 -4.713) 4.734 21.227 ( -2.644 0.000 5.421) 6.032 21.238 ( 1.409 0.000 3.414) 3.693 21.272 ( -1.411 0.000 -1.670) 2.186 21.465 ( 0.216 0.000 0.550) 0.590 21.469 ( 0.456 0.000 1.315) 1.392 21.511 ( -1.329 0.000 -0.813) 1.559 21.537 ( 0.347 0.000 -0.487) 0.598 21.693 ( -2.764 0.000 -4.515) 5.294 21.795 ( 3.028 0.000 6.345) 7.030 21.808 ( -5.346 0.000 -2.517) 5.909 21.949 ( 0.667 0.000 3.510) 3.572 22.005 ( -4.007 0.000 4.184) 5.793 22.183 ( 3.915 0.000 -5.198) 6.507 22.323 ( 3.060 0.000 3.158) 4.397 22.392 ( 3.970 0.000 -6.063) 7.248 ======================= Grid point 57 (33/42) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -17.119 0.000 6.164) 18.195 1.125 ( -16.583 0.000 -0.375) 16.587 1.609 ( -8.859 0.000 -2.442) 9.189 1.782 ( -20.624 0.000 -3.450) 20.911 1.833 ( -4.197 0.000 10.405) 11.219 1.990 ( -5.140 0.000 1.338) 5.311 2.050 ( -7.662 0.000 -1.535) 7.814 2.072 ( -7.509 0.000 8.941) 11.676 2.169 ( -11.735 0.000 17.300) 20.905 2.244 ( -3.196 0.000 7.817) 8.445 2.313 ( 0.494 0.000 -15.875) 15.883 2.331 ( -7.642 0.000 8.410) 11.364 2.476 ( -3.347 0.000 -10.268) 10.800 2.495 ( -3.511 0.000 -3.655) 5.068 2.550 ( -3.601 0.000 5.586) 6.646 2.594 ( -0.173 0.000 1.552) 1.561 2.687 ( -8.900 0.000 -3.372) 9.517 2.689 ( -1.560 0.000 0.684) 1.703 2.800 ( -8.046 0.000 5.414) 9.698 2.826 ( -4.862 0.000 -1.144) 4.995 2.839 ( 0.376 0.000 0.358) 0.519 2.861 ( -0.942 0.000 8.098) 8.153 2.931 ( 0.585 0.000 -4.021) 4.064 2.972 ( -6.715 0.000 1.436) 6.867 2.989 ( 1.613 0.000 -6.061) 6.272 3.036 ( -1.395 0.000 0.523) 1.490 3.045 ( -3.608 0.000 -2.595) 4.444 3.072 ( -0.840 0.000 2.056) 2.221 3.089 ( -0.247 0.000 3.996) 4.003 3.173 ( 1.053 0.000 5.500) 5.600 3.194 ( 5.510 0.000 2.527) 6.062 3.264 ( 6.161 0.000 3.204) 6.944 3.301 ( -1.619 0.000 -0.264) 1.641 3.305 ( 1.370 0.000 -2.454) 2.811 3.338 ( -1.857 0.000 -2.225) 2.898 3.377 ( 1.437 0.000 1.838) 2.333 3.407 ( -1.857 0.000 2.183) 2.866 3.497 ( 2.868 0.000 3.275) 4.353 3.499 ( -2.958 0.000 -2.844) 4.103 3.522 ( -2.340 0.000 1.351) 2.702 3.623 ( 2.216 0.000 -1.264) 2.551 3.626 ( -1.744 0.000 2.612) 3.141 3.654 ( -2.408 0.000 -2.277) 3.314 3.681 ( 2.319 0.000 -1.271) 2.644 3.701 ( 1.045 0.000 3.240) 3.405 3.779 ( 2.247 0.000 -4.525) 5.053 3.805 ( 1.101 0.000 3.907) 4.059 3.884 ( 7.386 0.000 -1.459) 7.529 3.925 ( 0.240 0.000 3.308) 3.317 3.949 ( 0.654 0.000 -0.986) 1.183 3.968 ( 1.571 0.000 -0.653) 1.702 4.044 ( 3.001 0.000 -7.303) 7.895 4.092 ( 0.759 0.000 7.854) 7.891 4.096 ( 0.479 0.000 -0.198) 0.518 4.142 ( -5.047 0.000 -0.847) 5.118 4.203 ( 6.292 0.000 -4.821) 7.927 4.309 ( 8.422 0.000 -1.724) 8.596 4.325 ( -3.361 0.000 0.745) 3.442 4.362 ( 2.900 0.000 -2.590) 3.888 4.398 ( -4.801 0.000 -2.403) 5.369 4.472 ( 7.610 0.000 -4.799) 8.996 4.560 ( -1.107 0.000 0.424) 1.185 4.584 ( -5.978 0.000 0.332) 5.987 4.645 ( -0.114 0.000 1.143) 1.148 4.655 ( -1.114 0.000 -0.910) 1.439 4.661 ( 2.062 0.000 2.389) 3.156 4.746 ( 0.939 0.000 -2.956) 3.102 4.767 ( -0.927 0.000 1.566) 1.820 4.794 ( 5.266 0.000 -3.653) 6.409 4.818 ( 2.058 0.000 -2.161) 2.984 4.872 ( 0.394 0.000 4.588) 4.605 4.980 ( 1.881 0.000 -3.276) 3.777 5.022 ( 0.241 0.000 0.321) 0.402 5.065 ( 0.427 0.000 2.379) 2.417 5.101 ( -1.340 0.000 -2.790) 3.095 5.134 ( 3.017 0.000 2.160) 3.710 5.168 ( 3.011 0.000 1.072) 3.196 5.238 ( -0.351 0.000 1.296) 1.343 5.287 ( -4.027 0.000 2.598) 4.792 5.311 ( 3.048 0.000 -1.815) 3.547 5.344 ( -0.212 0.000 0.848) 0.874 5.414 ( 1.901 0.000 -2.226) 2.927 5.433 ( -1.102 0.000 -0.846) 1.389 5.518 ( 2.239 0.000 -7.244) 7.582 5.540 ( 0.981 0.000 0.456) 1.082 5.606 ( 0.642 0.000 -0.616) 0.890 5.724 ( 2.756 0.000 -2.501) 3.722 5.800 ( 3.872 0.000 -1.019) 4.003 5.831 ( 3.777 0.000 -0.982) 3.903 5.926 ( 2.062 0.000 -0.459) 2.113 5.940 ( 2.588 0.000 -1.385) 2.935 5.946 ( 1.710 0.000 -5.221) 5.494 6.246 ( 2.163 0.000 0.244) 2.177 6.299 ( 1.642 0.000 1.800) 2.437 6.339 ( 1.677 0.000 0.295) 1.703 6.507 ( 0.942 0.000 -1.571) 1.832 6.870 ( 1.120 0.000 3.387) 3.567 6.885 ( 3.241 0.000 -5.500) 6.384 7.007 ( -0.496 0.000 3.262) 3.299 7.128 ( 1.956 0.000 -5.024) 5.392 7.383 ( 1.140 0.000 1.998) 2.301 7.419 ( 1.534 0.000 1.726) 2.309 7.472 ( 3.568 0.000 -1.855) 4.022 7.568 ( 5.185 0.000 -1.845) 5.504 7.854 ( 0.722 0.000 2.854) 2.944 7.893 ( -0.085 0.000 -1.621) 1.623 7.968 ( -3.392 0.000 2.770) 4.379 8.023 ( -1.741 0.000 -2.978) 3.450 8.826 ( -4.221 0.000 7.158) 8.310 8.924 ( -2.283 0.000 2.928) 3.713 8.979 ( -6.555 0.000 9.507) 11.548 9.074 ( 0.575 0.000 -0.776) 0.966 9.084 ( 1.000 0.000 -0.101) 1.006 9.172 ( 4.476 0.000 -11.845) 12.662 9.178 ( 2.997 0.000 -0.468) 3.033 9.314 ( 3.135 0.000 -8.163) 8.744 9.371 ( -0.604 0.000 -0.042) 0.606 9.568 ( 3.680 0.000 0.602) 3.729 9.578 ( 3.421 0.000 4.891) 5.969 9.656 ( -1.867 0.000 1.888) 2.655 9.680 ( -3.597 0.000 -1.317) 3.830 9.779 ( -0.812 0.000 4.275) 4.352 9.980 ( 8.769 0.000 -3.423) 9.414 9.989 ( 3.650 0.000 -1.468) 3.934 10.096 ( -3.820 0.000 7.028) 8.000 10.100 ( 0.806 0.000 -2.902) 3.012 10.248 ( 4.649 0.000 -1.892) 5.019 10.274 ( -0.595 0.000 4.555) 4.593 10.828 ( 0.239 0.000 4.021) 4.028 10.962 ( 0.384 0.000 -6.613) 6.624 10.982 ( -4.175 0.000 3.856) 5.683 11.244 ( -1.152 0.000 -6.167) 6.274 11.351 ( -6.873 0.000 4.795) 8.381 11.399 ( -7.628 0.000 4.349) 8.780 11.592 ( -2.152 0.000 -5.042) 5.482 11.708 ( 1.859 0.000 -1.965) 2.705 12.018 ( 0.537 0.000 11.532) 11.544 12.171 ( 0.610 0.000 3.935) 3.982 12.175 ( 4.332 0.000 -5.647) 7.117 12.247 ( 1.972 0.000 -5.368) 5.719 13.902 ( -0.730 0.000 2.767) 2.861 13.961 ( 0.507 0.000 -1.058) 1.173 13.996 ( 1.646 0.000 -0.113) 1.650 14.117 ( 3.680 0.000 1.018) 3.818 14.676 ( -4.035 0.000 1.688) 4.374 14.723 ( -4.323 0.000 -7.383) 8.556 14.804 ( -2.737 0.000 3.365) 4.337 14.835 ( -2.493 0.000 -1.731) 3.035 15.804 ( -1.653 0.000 5.413) 5.659 15.925 ( 2.346 0.000 -5.292) 5.789 15.959 ( 3.907 0.000 6.632) 7.697 16.010 ( 4.404 0.000 -3.210) 5.449 18.662 ( 1.871 0.000 1.239) 2.244 18.675 ( 1.956 0.000 0.832) 2.126 18.871 ( 9.239 0.000 3.906) 10.031 18.980 ( 12.431 0.000 -3.236) 12.845 20.445 ( -1.231 0.000 0.196) 1.247 20.483 ( -1.677 0.000 -1.073) 1.991 20.557 ( 0.169 0.000 -0.105) 0.199 20.590 ( 1.010 0.000 -0.756) 1.262 20.752 ( -6.598 0.000 -2.800) 7.168 20.886 ( -5.266 0.000 3.378) 6.257 20.994 ( 1.090 0.000 -2.612) 2.830 21.025 ( -1.251 0.000 -0.497) 1.346 21.132 ( -1.688 0.000 -4.676) 4.971 21.174 ( -3.637 0.000 2.616) 4.480 21.213 ( -1.937 0.000 -2.106) 2.861 21.264 ( -3.746 0.000 5.793) 6.899 21.467 ( -0.143 0.000 -0.597) 0.613 21.486 ( -0.730 0.000 1.467) 1.638 21.492 ( -0.480 0.000 0.597) 0.766 21.534 ( -0.946 0.000 0.173) 0.962 21.636 ( -0.522 0.000 -2.324) 2.382 21.702 ( -1.319 0.000 -3.906) 4.122 21.852 ( -2.115 0.000 1.662) 2.690 21.921 ( -3.198 0.000 1.761) 3.651 22.011 ( -1.127 0.000 9.291) 9.360 22.224 ( 4.000 0.000 -5.609) 6.889 22.437 ( 5.479 0.000 -7.228) 9.070 22.459 ( 7.891 0.000 4.022) 8.857 ======================= Grid point 58 (34/42) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -6.891 0.000 15.947) 17.372 0.835 ( -13.486 0.000 15.742) 20.728 1.360 ( -10.087 0.000 -0.841) 10.122 1.497 ( -9.619 0.000 4.534) 10.634 1.749 ( -10.222 0.000 1.950) 10.407 1.910 ( -5.679 0.000 2.815) 6.339 1.926 ( -6.058 0.000 6.062) 8.570 1.961 ( -9.334 0.000 2.674) 9.710 1.991 ( -14.368 0.000 22.084) 26.347 2.085 ( -11.968 0.000 10.505) 15.924 2.104 ( -8.173 0.000 -5.468) 9.833 2.283 ( -8.056 0.000 -7.555) 11.044 2.376 ( -0.120 0.000 -6.609) 6.610 2.399 ( -8.202 0.000 -0.557) 8.221 2.433 ( 4.726 0.000 -7.412) 8.791 2.602 ( -8.158 0.000 9.906) 12.833 2.611 ( 3.938 0.000 -1.471) 4.204 2.663 ( 3.086 0.000 0.994) 3.242 2.723 ( -4.049 0.000 -3.213) 5.169 2.799 ( 0.394 0.000 3.287) 3.310 2.834 ( -3.169 0.000 0.321) 3.185 2.890 ( -2.650 0.000 -8.389) 8.798 2.897 ( 1.454 0.000 2.904) 3.248 2.961 ( 6.121 0.000 -4.015) 7.320 2.965 ( 0.721 0.000 -2.489) 2.592 2.974 ( 2.110 0.000 -1.930) 2.860 2.979 ( -2.640 0.000 -0.148) 2.645 3.095 ( 1.291 0.000 -0.119) 1.296 3.126 ( 3.587 0.000 1.980) 4.097 3.187 ( -6.412 0.000 2.428) 6.857 3.259 ( 1.163 0.000 -2.742) 2.979 3.265 ( 0.255 0.000 0.545) 0.601 3.306 ( -1.809 0.000 -0.440) 1.862 3.352 ( 2.182 0.000 -1.812) 2.836 3.383 ( 0.439 0.000 2.583) 2.620 3.391 ( -1.540 0.000 0.089) 1.543 3.423 ( 0.460 0.000 3.713) 3.742 3.438 ( -5.147 0.000 2.716) 5.820 3.517 ( 3.925 0.000 0.693) 3.985 3.556 ( 0.528 0.000 1.198) 1.310 3.571 ( -0.796 0.000 -0.074) 0.800 3.588 ( -0.716 0.000 1.025) 1.250 3.617 ( -1.176 0.000 1.383) 1.816 3.690 ( -0.848 0.000 -0.152) 0.862 3.783 ( -3.885 0.000 6.126) 7.254 3.788 ( 3.060 0.000 0.623) 3.123 3.810 ( 0.849 0.000 0.720) 1.113 3.902 ( -1.231 0.000 -3.644) 3.846 3.935 ( 3.367 0.000 -5.367) 6.335 3.965 ( 1.588 0.000 2.912) 3.317 4.017 ( -2.464 0.000 1.041) 2.675 4.060 ( 2.184 0.000 -2.773) 3.530 4.094 ( 6.563 0.000 -4.983) 8.240 4.176 ( 0.612 0.000 0.002) 0.612 4.189 ( 3.377 0.000 -0.649) 3.439 4.250 ( 2.762 0.000 -7.964) 8.430 4.337 ( 0.110 0.000 1.046) 1.052 4.347 ( 0.788 0.000 0.994) 1.268 4.411 ( 2.987 0.000 -0.203) 2.994 4.431 ( 4.877 0.000 -10.637) 11.702 4.488 ( -7.659 0.000 5.498) 9.428 4.549 ( 6.169 0.000 0.229) 6.173 4.570 ( 2.438 0.000 1.227) 2.729 4.655 ( -5.043 0.000 -2.525) 5.640 4.662 ( 2.585 0.000 2.210) 3.401 4.695 ( 7.026 0.000 -3.873) 8.022 4.720 ( -0.819 0.000 -1.993) 2.155 4.810 ( 1.345 0.000 0.979) 1.663 4.816 ( -3.339 0.000 -0.176) 3.343 4.835 ( 2.631 0.000 4.032) 4.815 4.906 ( 3.582 0.000 -1.579) 3.914 4.931 ( -3.358 0.000 -3.796) 5.068 5.014 ( 1.709 0.000 0.943) 1.951 5.062 ( -1.086 0.000 2.075) 2.342 5.116 ( 0.708 0.000 -0.959) 1.192 5.184 ( -0.453 0.000 1.652) 1.713 5.231 ( 1.373 0.000 3.111) 3.400 5.256 ( 1.473 0.000 1.303) 1.967 5.256 ( -0.998 0.000 2.025) 2.258 5.333 ( 0.738 0.000 0.322) 0.805 5.355 ( 0.449 0.000 1.887) 1.940 5.409 ( 1.173 0.000 -5.477) 5.601 5.481 ( 4.894 0.000 2.933) 5.705 5.499 ( -0.853 0.000 -3.307) 3.415 5.559 ( 1.251 0.000 0.015) 1.251 5.588 ( -1.428 0.000 -0.729) 1.603 5.765 ( 1.450 0.000 -1.024) 1.775 5.782 ( -1.591 0.000 -8.113) 8.268 5.899 ( 3.835 0.000 -0.994) 3.962 5.947 ( 1.132 0.000 1.144) 1.609 5.970 ( 1.293 0.000 -0.951) 1.605 5.990 ( 1.814 0.000 0.096) 1.817 6.273 ( 1.246 0.000 0.764) 1.461 6.367 ( 1.474 0.000 -0.150) 1.482 6.368 ( 2.033 0.000 2.398) 3.143 6.444 ( -4.703 0.000 -2.331) 5.248 6.901 ( -0.054 0.000 1.783) 1.784 6.918 ( 3.541 0.000 -4.889) 6.036 7.024 ( -0.223 0.000 3.040) 3.049 7.121 ( 0.853 0.000 -4.516) 4.596 7.424 ( 0.792 0.000 3.682) 3.767 7.461 ( 0.818 0.000 2.590) 2.716 7.520 ( 2.682 0.000 -2.657) 3.776 7.614 ( 1.031 0.000 -3.432) 3.584 7.882 ( -0.303 0.000 -1.216) 1.253 7.900 ( 1.687 0.000 1.755) 2.434 7.916 ( -2.689 0.000 0.667) 2.771 7.974 ( -0.802 0.000 -2.015) 2.169 8.836 ( -1.592 0.000 11.517) 11.626 8.901 ( -7.912 0.000 11.324) 13.814 8.904 ( -1.135 0.000 2.217) 2.491 9.090 ( 2.114 0.000 -1.894) 2.838 9.101 ( 1.016 0.000 -1.379) 1.713 9.199 ( 5.622 0.000 -9.743) 11.249 9.228 ( 2.964 0.000 -2.865) 4.122 9.291 ( 0.601 0.000 -8.064) 8.087 9.386 ( 1.334 0.000 1.554) 2.048 9.583 ( -4.054 0.000 -2.277) 4.650 9.638 ( 0.205 0.000 1.201) 1.218 9.660 ( 4.104 0.000 0.011) 4.104 9.710 ( 5.379 0.000 3.300) 6.311 9.794 ( -0.728 0.000 3.711) 3.782 10.004 ( -2.516 0.000 2.350) 3.442 10.087 ( 0.568 0.000 -4.157) 4.196 10.107 ( 0.123 0.000 6.219) 6.220 10.137 ( 8.676 0.000 -5.147) 10.088 10.287 ( -1.689 0.000 6.887) 7.091 10.373 ( 8.053 0.000 -1.533) 8.198 10.835 ( -0.672 0.000 -2.303) 2.399 10.903 ( -1.215 0.000 -6.565) 6.677 10.975 ( -1.528 0.000 9.685) 9.804 11.167 ( -1.341 0.000 -6.032) 6.180 11.244 ( -6.577 0.000 6.386) 9.167 11.328 ( -2.707 0.000 5.856) 6.451 11.512 ( -0.806 0.000 -8.247) 8.286 11.690 ( -1.683 0.000 -5.760) 6.001 12.100 ( -1.678 0.000 11.102) 11.228 12.187 ( -1.770 0.000 1.464) 2.297 12.222 ( 4.279 0.000 -5.521) 6.985 12.244 ( 1.932 0.000 -5.775) 6.090 13.909 ( -0.363 0.000 2.482) 2.508 13.967 ( 0.425 0.000 -0.900) 0.995 14.044 ( 2.330 0.000 1.819) 2.956 14.181 ( 2.325 0.000 -1.445) 2.737 14.602 ( -2.437 0.000 -1.501) 2.862 14.617 ( -2.611 0.000 2.019) 3.301 14.758 ( -3.695 0.000 -1.057) 3.844 14.758 ( -3.779 0.000 2.029) 4.289 15.813 ( -1.436 0.000 5.533) 5.716 15.934 ( 2.247 0.000 -5.466) 5.910 16.078 ( 4.035 0.000 -1.910) 4.465 16.094 ( 4.805 0.000 2.587) 5.457 18.713 ( 1.798 0.000 1.534) 2.364 18.722 ( 1.656 0.000 1.317) 2.116 19.135 ( 13.728 0.000 3.066) 14.067 19.208 ( 11.803 0.000 -4.130) 12.505 20.443 ( 0.755 0.000 2.115) 2.246 20.465 ( 0.297 0.000 1.535) 1.563 20.563 ( 0.834 0.000 -0.070) 0.836 20.589 ( -0.166 0.000 -1.505) 1.514 20.641 ( -2.686 0.000 -1.073) 2.892 20.782 ( -7.077 0.000 1.316) 7.198 20.946 ( -5.246 0.000 -2.894) 5.991 20.960 ( -6.002 0.000 -6.264) 8.676 21.029 ( -0.843 0.000 -0.956) 1.274 21.126 ( -5.074 0.000 3.303) 6.054 21.187 ( -5.141 0.000 4.494) 6.829 21.205 ( 1.867 0.000 -2.449) 3.079 21.454 ( -0.459 0.000 -0.966) 1.069 21.462 ( -1.078 0.000 -1.653) 1.973 21.492 ( -0.097 0.000 0.243) 0.261 21.492 ( -2.094 0.000 1.049) 2.343 21.643 ( 2.244 0.000 -1.368) 2.628 21.721 ( 3.545 0.000 -1.304) 3.778 21.750 ( -7.106 0.000 1.030) 7.180 21.864 ( -4.087 0.000 1.105) 4.233 22.062 ( -1.049 0.000 9.734) 9.790 22.256 ( 3.299 0.000 -6.303) 7.114 22.516 ( 7.049 0.000 -5.662) 9.041 22.632 ( 4.908 0.000 0.626) 4.948 ======================= Grid point 59 (35/42) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 7.599 12.996 16.077) 22.026 1.150 ( 2.827 14.040 16.162) 21.594 1.345 ( 2.256 -3.794 6.403) 7.777 1.398 ( 1.913 6.483 2.460) 7.193 1.489 ( -1.450 -10.066 2.070) 10.378 1.589 ( -9.055 5.196 -9.590) 14.176 1.681 ( -8.313 -11.252 0.463) 13.997 1.834 ( -0.501 -10.509 -6.972) 12.622 1.969 ( -6.174 -2.891 10.849) 12.813 1.997 ( -3.192 -3.099 4.668) 6.448 2.091 ( -1.591 3.672 2.812) 4.891 2.175 ( 0.786 -0.043 0.001) 0.787 2.217 ( -4.911 5.240 14.950) 16.585 2.397 ( -3.185 6.268 6.288) 9.432 2.428 ( 5.456 -6.175 0.524) 8.257 2.537 ( 0.579 -2.608 -0.488) 2.716 2.566 ( -2.954 -0.267 2.144) 3.660 2.662 ( 1.882 6.514 -7.547) 10.145 2.727 ( 2.223 -4.116 4.363) 6.397 2.816 ( -0.520 -5.551 0.532) 5.601 2.860 ( 3.226 -2.127 3.610) 5.288 2.883 ( -0.442 2.919 0.541) 3.001 2.923 ( -1.468 -0.437 -3.964) 4.249 2.954 ( -0.394 2.559 -2.425) 3.547 2.983 ( -1.161 2.841 -4.168) 5.176 2.998 ( 5.128 5.728 -1.190) 7.780 3.086 ( 1.716 -1.598 0.497) 2.396 3.111 ( -0.463 0.013 0.666) 0.811 3.173 ( 2.760 0.551 1.383) 3.136 3.189 ( 0.691 -0.915 0.774) 1.384 3.212 ( -1.136 -2.695 1.527) 3.299 3.216 ( -0.891 -0.404 1.242) 1.581 3.228 ( -2.166 -1.401 -2.517) 3.604 3.261 ( -1.226 -1.743 -2.867) 3.572 3.308 ( 0.342 -3.058 -3.798) 4.888 3.316 ( -0.181 -6.648 -4.584) 8.077 3.412 ( -0.858 2.028 0.364) 2.232 3.435 ( -0.563 1.361 -1.522) 2.118 3.529 ( -3.831 2.000 1.874) 4.710 3.557 ( -0.424 -0.441 0.330) 0.695 3.574 ( 3.488 2.220 -1.448) 4.381 3.636 ( 0.233 4.124 -2.853) 5.020 3.671 ( -1.278 -3.144 0.500) 3.430 3.737 ( 6.154 -3.873 -3.617) 8.121 3.822 ( 1.750 -0.195 1.585) 2.369 3.828 ( -1.773 0.284 1.007) 2.059 3.892 ( 1.760 1.426 2.132) 3.111 3.912 ( 0.547 0.412 -0.821) 1.069 3.933 ( -0.316 2.879 3.662) 4.668 4.014 ( 0.826 5.094 -0.874) 5.234 4.015 ( -1.464 0.334 -2.363) 2.800 4.030 ( -1.775 1.482 0.088) 2.314 4.122 ( 0.155 -1.369 1.834) 2.294 4.133 ( -1.010 -0.696 0.428) 1.300 4.184 ( 0.455 -4.221 -2.397) 4.876 4.220 ( 2.125 -4.636 -4.292) 6.665 4.342 ( -1.785 3.258 0.735) 3.786 4.368 ( -4.354 1.786 -1.748) 5.020 4.412 ( -0.783 1.817 1.330) 2.384 4.445 ( 4.011 -0.525 -0.963) 4.159 4.514 ( -1.079 4.590 2.443) 5.310 4.549 ( -3.084 4.115 1.458) 5.344 4.622 ( 1.053 -0.169 1.456) 1.805 4.665 ( -2.083 -0.574 -1.439) 2.596 4.721 ( 2.828 1.294 0.284) 3.123 4.734 ( -1.938 0.169 0.685) 2.062 4.775 ( -2.464 0.461 1.306) 2.826 4.804 ( -2.237 -0.600 -0.984) 2.516 4.838 ( 1.073 3.153 -0.306) 3.345 4.885 ( 1.091 0.313 -2.852) 3.070 4.917 ( 1.964 0.350 -0.135) 2.000 4.944 ( 1.421 4.121 -1.603) 4.644 4.974 ( 2.825 -3.693 2.690) 5.372 5.054 ( 0.035 -3.915 -3.626) 5.336 5.127 ( -1.598 0.634 1.709) 2.424 5.155 ( -2.466 -2.465 2.127) 4.085 5.219 ( 2.332 -1.433 -2.442) 3.668 5.243 ( 2.324 0.523 -6.747) 7.155 5.270 ( 0.731 -0.148 1.996) 2.131 5.339 ( 0.034 -4.632 -3.814) 6.000 5.378 ( 1.128 0.230 1.320) 1.752 5.382 ( 0.504 0.330 0.546) 0.813 5.488 ( 0.234 1.412 2.715) 3.069 5.532 ( 2.507 -1.244 -0.203) 2.806 5.585 ( 1.781 0.188 2.237) 2.866 5.628 ( 1.414 -2.409 1.342) 3.099 5.678 ( -1.628 -0.105 -6.924) 7.114 5.705 ( -2.259 -1.607 -5.583) 6.233 5.935 ( -0.018 0.265 1.918) 1.937 5.961 ( 1.723 -2.126 0.305) 2.753 6.020 ( -1.260 2.088 -1.555) 2.892 6.024 ( 0.204 2.012 -2.600) 3.294 6.335 ( 1.882 1.593 2.158) 3.276 6.357 ( -1.657 1.462 0.302) 2.231 6.374 ( -0.399 -1.092 2.122) 2.420 6.398 ( 0.195 -1.342 -0.017) 1.356 6.911 ( -1.400 2.182 2.119) 3.349 6.976 ( 0.168 -1.628 0.179) 1.647 7.000 ( 1.677 1.116 -2.128) 2.930 7.067 ( 1.216 -3.081 -4.324) 5.447 7.478 ( 1.093 0.647 3.292) 3.528 7.488 ( 0.749 -0.220 2.956) 3.057 7.561 ( 0.240 1.604 -3.437) 3.800 7.581 ( -0.137 -0.334 -4.461) 4.475 7.872 ( -1.066 0.945 1.521) 2.084 7.905 ( -0.580 -1.259 1.268) 1.878 7.911 ( 0.471 1.113 -1.775) 2.147 7.944 ( 0.170 -1.344 -1.960) 2.383 8.835 ( -2.729 1.364 10.386) 10.825 8.878 ( -1.544 -2.075 10.364) 10.682 8.970 ( -1.723 3.292 1.984) 4.212 9.034 ( -1.299 -2.905 -1.362) 3.461 9.157 ( 1.385 0.766 -1.261) 2.024 9.188 ( 1.206 -2.829 -1.516) 3.428 9.233 ( 1.851 -0.128 -10.141) 10.309 9.242 ( 3.641 -0.903 -8.385) 9.186 9.527 ( -0.894 7.083 4.406) 8.390 9.593 ( 0.183 4.920 0.138) 4.926 9.687 ( -0.586 4.023 1.363) 4.288 9.726 ( -0.523 2.198 -1.749) 2.858 9.780 ( 0.404 -2.150 1.347) 2.569 9.818 ( 0.270 -1.421 -0.181) 1.458 9.921 ( 1.122 -5.335 -0.344) 5.462 9.933 ( -1.108 -6.412 -1.024) 6.587 10.164 ( 0.485 0.393 3.225) 3.285 10.208 ( -0.406 -2.056 3.010) 3.668 10.291 ( -1.039 2.951 -0.141) 3.132 10.396 ( 2.004 -5.553 -6.224) 8.579 10.864 ( 1.297 4.275 0.703) 4.522 10.910 ( 0.915 1.550 -2.866) 3.385 11.027 ( -1.369 2.487 1.889) 3.410 11.091 ( -0.025 -2.888 -3.119) 4.251 11.267 ( 0.093 2.898 8.039) 8.546 11.339 ( 1.285 -3.471 6.804) 7.746 11.461 ( 0.091 0.739 -7.815) 7.851 11.491 ( -4.889 -2.521 -6.020) 8.155 12.096 ( -4.468 0.551 9.153) 10.201 12.118 ( -4.108 -1.409 7.976) 9.082 12.257 ( 2.125 0.788 -4.683) 5.202 12.266 ( 2.512 -0.011 -4.662) 5.296 13.994 ( 1.460 3.568 0.645) 3.908 14.010 ( -1.512 4.781 -0.966) 5.107 14.079 ( 0.703 -1.465 2.350) 2.857 14.134 ( -1.853 -3.413 -2.921) 4.859 14.618 ( 0.082 0.814 1.053) 1.333 14.634 ( 2.302 -0.558 -0.495) 2.419 14.703 ( -0.106 0.180 -0.127) 0.244 14.707 ( 1.408 -0.203 -0.537) 1.521 15.857 ( -1.476 3.126 4.965) 6.050 15.926 ( 0.216 -1.973 -0.908) 2.183 16.074 ( -0.359 -1.290 0.008) 1.339 16.105 ( 0.476 -2.688 -2.404) 3.638 18.790 ( -0.114 3.226 1.054) 3.396 18.806 ( -0.020 2.584 -0.741) 2.688 19.299 ( 1.132 -0.259 -2.844) 3.072 19.318 ( 0.855 -1.223 -4.798) 5.024 20.508 ( 2.410 0.932 3.244) 4.147 20.535 ( 4.179 -1.465 2.213) 4.950 20.578 ( 0.749 0.619 -1.961) 2.189 20.590 ( 0.105 -0.461 -1.997) 2.052 20.629 ( 0.432 0.110 -0.321) 0.550 20.635 ( -2.236 -0.414 -1.065) 2.511 20.802 ( -3.644 0.088 0.413) 3.668 20.804 ( -4.341 -0.074 0.229) 4.348 21.046 ( -1.189 0.653 0.635) 1.498 21.060 ( 2.435 -0.537 -0.560) 2.555 21.180 ( 0.353 1.279 0.662) 1.483 21.211 ( 1.947 -1.443 -2.188) 3.266 21.431 ( -0.552 -0.292 -0.327) 0.705 21.432 ( -0.116 -0.403 -0.505) 0.656 21.483 ( -0.019 0.132 0.187) 0.230 21.486 ( 0.138 -0.108 -0.118) 0.211 21.674 ( -3.412 2.229 2.050) 4.562 21.699 ( 0.491 0.044 -0.395) 0.632 21.788 ( 0.237 0.489 0.896) 1.048 21.797 ( 0.421 -0.012 0.043) 0.423 22.148 ( -2.289 4.572 8.055) 9.541 22.246 ( -0.082 -2.830 -0.846) 2.955 22.538 ( -2.785 -2.176 -0.538) 3.575 22.571 ( 3.000 -3.631 -3.156) 5.670 ======================= Grid point 60 (36/42) ======================= q-point: ( 0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 3.039 11.944 -7.688) 14.525 1.326 ( 0.177 13.483 1.703) 13.592 1.387 ( 9.028 13.765 -6.160) 17.576 1.455 ( 3.052 -7.770 -3.655) 9.113 1.575 ( 10.359 3.824 17.224) 20.459 1.686 ( 0.888 -13.882 10.302) 17.309 1.754 ( 13.044 -11.554 0.091) 17.425 1.781 ( 1.161 -13.462 9.110) 16.296 1.978 ( 4.677 -0.591 9.624) 10.717 2.018 ( 2.856 -3.454 8.607) 9.704 2.157 ( 5.698 -0.501 0.157) 5.723 2.206 ( 3.584 -1.957 -2.584) 4.833 2.395 ( 6.804 6.298 9.466) 13.250 2.446 ( 5.527 9.919 11.723) 16.321 2.503 ( 1.702 -1.026 -1.451) 2.460 2.521 ( 0.859 6.733 -0.860) 6.842 2.633 ( 2.974 -3.094 -5.571) 7.032 2.680 ( 0.905 3.287 -1.527) 3.736 2.737 ( -0.804 -5.620 -1.193) 5.802 2.799 ( -2.770 3.079 -0.206) 4.147 2.838 ( -0.688 3.626 3.108) 4.825 2.884 ( -0.125 2.857 -3.130) 4.240 2.920 ( 3.491 -7.780 0.071) 8.528 2.947 ( 0.277 2.331 -0.336) 2.371 2.990 ( 0.741 -5.768 -4.399) 7.292 3.056 ( 1.571 1.821 0.850) 2.550 3.081 ( 0.306 1.762 -1.966) 2.658 3.091 ( -0.484 0.880 -0.432) 1.093 3.142 ( 1.353 0.163 -2.897) 3.202 3.165 ( -1.194 -3.005 0.919) 3.362 3.209 ( 0.951 2.467 0.013) 2.644 3.258 ( 2.103 -4.341 3.172) 5.773 3.298 ( 2.143 -1.755 -2.234) 3.558 3.305 ( 5.151 0.161 0.583) 5.186 3.338 ( 2.905 -1.647 -1.499) 3.661 3.372 ( 7.775 -2.788 0.666) 8.286 3.412 ( 0.115 -0.100 0.079) 0.171 3.427 ( 1.001 -1.610 2.967) 3.521 3.507 ( 1.128 2.626 0.107) 2.860 3.553 ( -0.211 0.843 -1.494) 1.728 3.588 ( -1.175 -1.804 2.596) 3.373 3.615 ( -0.182 -3.616 -5.249) 6.377 3.675 ( -0.061 3.758 -1.677) 4.115 3.765 ( -4.420 -0.881 -2.738) 5.274 3.797 ( -2.930 0.810 1.816) 3.541 3.813 ( -2.438 -2.489 -1.253) 3.702 3.841 ( -0.581 -1.982 -1.635) 2.634 3.917 ( -0.482 4.438 -3.806) 5.866 3.923 ( -3.113 0.048 -4.170) 5.204 3.942 ( -0.885 0.268 3.995) 4.100 3.989 ( -2.518 -1.150 3.200) 4.231 4.031 ( -3.504 -0.536 0.593) 3.594 4.110 ( 2.178 3.590 1.597) 4.492 4.140 ( -1.998 0.418 2.693) 3.379 4.183 ( -2.369 0.711 1.694) 2.998 4.200 ( 1.750 0.995 -3.571) 4.100 4.265 ( -4.521 3.401 2.242) 6.085 4.292 ( -4.382 0.471 1.779) 4.753 4.382 ( -3.965 3.709 -0.621) 5.465 4.483 ( 0.288 -2.402 -3.240) 4.044 4.508 ( -0.733 0.637 0.970) 1.372 4.525 ( -1.035 0.706 3.235) 3.470 4.598 ( -0.977 2.300 2.690) 3.672 4.629 ( -0.346 -1.415 -0.507) 1.543 4.679 ( -2.020 3.007 -0.502) 3.657 4.696 ( -2.565 0.736 -0.218) 2.677 4.748 ( -1.787 -2.009 3.104) 4.106 4.756 ( -3.730 -2.590 3.857) 5.958 4.840 ( -0.253 2.190 -6.891) 7.235 4.895 ( 1.344 -0.929 -2.768) 3.214 4.937 ( -0.831 1.967 1.031) 2.371 4.976 ( 2.046 3.081 -2.238) 4.323 5.025 ( 1.505 0.194 -4.415) 4.669 5.067 ( 1.162 -0.312 -0.543) 1.320 5.101 ( -2.280 -5.030 4.891) 7.377 5.153 ( 1.353 -4.174 1.164) 4.540 5.193 ( -1.423 2.087 -1.768) 3.083 5.267 ( 2.472 -0.746 -4.652) 5.320 5.277 ( -2.529 -4.609 -2.663) 5.893 5.288 ( 1.122 -0.897 -0.120) 1.442 5.375 ( -0.293 0.365 -1.488) 1.560 5.390 ( -0.595 -1.106 -1.862) 2.246 5.506 ( -0.724 1.704 -0.785) 2.011 5.537 ( 0.194 0.813 -2.637) 2.767 5.612 ( -0.258 4.123 -3.064) 5.143 5.625 ( 1.054 1.079 2.009) 2.512 5.673 ( 1.765 -1.391 -1.392) 2.644 5.708 ( 1.710 -5.404 0.559) 5.695 5.910 ( -2.244 2.872 -0.153) 3.648 5.956 ( -2.605 -1.234 -1.867) 3.435 5.991 ( -0.794 0.071 1.096) 1.356 6.005 ( -1.120 -0.111 -0.931) 1.460 6.315 ( -2.207 2.600 -0.784) 3.499 6.349 ( -1.612 -0.257 0.101) 1.635 6.394 ( 0.425 -0.547 1.331) 1.500 6.401 ( 0.427 -0.826 1.169) 1.494 6.890 ( -2.113 3.403 2.303) 4.621 6.976 ( -0.421 -2.657 0.795) 2.805 7.007 ( 0.772 0.559 -2.861) 3.015 7.057 ( 1.006 -2.674 -4.587) 5.404 7.490 ( -1.074 0.912 -0.204) 1.424 7.508 ( -0.566 -0.631 -1.876) 2.059 7.553 ( -0.227 0.980 -2.863) 3.035 7.557 ( 0.565 0.548 0.218) 0.816 7.862 ( -1.177 1.090 2.380) 2.870 7.897 ( -1.511 -1.893 3.056) 3.900 7.926 ( 1.986 0.160 -1.253) 2.354 7.934 ( 0.968 -0.387 -2.159) 2.397 8.856 ( -2.715 3.093 10.164) 10.965 8.911 ( -3.180 -1.802 11.024) 11.614 8.957 ( -0.873 0.295 1.253) 1.556 8.980 ( -1.665 -1.761 -2.878) 3.762 9.143 ( -0.518 0.210 -3.899) 3.939 9.182 ( -0.110 -3.340 -3.695) 4.982 9.221 ( 2.823 1.127 -6.024) 6.747 9.255 ( 3.046 -1.624 -6.342) 7.220 9.516 ( -2.453 7.310 2.336) 8.057 9.594 ( -0.674 2.963 0.707) 3.120 9.674 ( -1.714 3.866 2.412) 4.868 9.689 ( -2.250 2.395 0.449) 3.317 9.733 ( -2.379 -0.566 -1.523) 2.881 9.845 ( 0.866 -4.629 -0.478) 4.733 9.901 ( -1.195 -3.933 -1.909) 4.532 9.946 ( 0.119 -4.241 0.904) 4.338 10.147 ( -4.525 0.524 0.791) 4.624 10.188 ( -1.781 -1.112 0.835) 2.259 10.256 ( -2.398 2.314 2.699) 4.288 10.356 ( -0.978 -5.048 -4.363) 6.743 10.900 ( 1.939 3.788 -3.601) 5.575 10.905 ( 1.858 3.531 -1.120) 4.145 11.060 ( 1.929 -0.406 3.371) 3.905 11.091 ( 1.295 -3.376 -2.013) 4.138 11.328 ( 0.059 2.236 7.484) 7.811 11.370 ( 1.370 -1.412 -0.218) 1.979 11.449 ( 3.432 1.090 -4.479) 5.747 11.491 ( 3.437 -2.106 4.140) 5.779 12.081 ( -3.798 0.420 8.728) 9.528 12.093 ( -3.687 -0.567 8.516) 9.297 12.254 ( 0.432 0.583 -4.156) 4.219 12.264 ( 1.018 -0.323 -5.297) 5.403 13.963 ( -2.034 3.317 -0.128) 3.893 14.018 ( 0.036 2.803 0.036) 2.804 14.053 ( -3.375 -1.538 -0.450) 3.736 14.108 ( -0.688 -2.519 2.103) 3.353 14.609 ( 0.535 1.103 -0.538) 1.339 14.642 ( 1.532 -1.840 -1.244) 2.698 14.766 ( 4.639 2.047 -1.114) 5.191 14.801 ( 6.110 -1.119 -2.926) 6.866 15.852 ( -2.350 2.549 4.704) 5.844 15.909 ( -1.315 -2.007 -0.174) 2.405 16.029 ( -3.133 1.073 -0.173) 3.316 16.083 ( -1.461 -3.153 -1.738) 3.885 18.765 ( -2.692 2.922 0.558) 4.012 18.782 ( -2.079 2.020 -0.074) 2.900 19.150 ( -11.971 -0.509 -0.731) 12.004 19.167 ( -10.802 -1.670 -3.142) 11.373 20.502 ( -2.207 0.206 -3.047) 3.768 20.509 ( -2.141 -0.505 -2.813) 3.571 20.561 ( -0.919 0.707 0.779) 1.397 20.568 ( -1.263 -0.045 0.122) 1.269 20.654 ( 4.377 2.955 0.535) 5.308 20.747 ( 8.360 -5.214 -0.566) 9.869 20.856 ( 4.292 0.155 3.420) 5.490 20.867 ( 4.137 -0.670 3.713) 5.599 21.079 ( 4.337 3.440 -0.078) 5.536 21.132 ( 3.242 -1.798 0.778) 3.788 21.207 ( 2.545 2.152 -2.220) 4.004 21.249 ( 4.724 -1.621 -3.565) 6.136 21.429 ( 0.315 0.095 0.733) 0.804 21.437 ( 0.593 -0.476 0.411) 0.865 21.497 ( 1.385 0.427 -0.089) 1.452 21.507 ( 2.540 -0.336 -0.378) 2.590 21.614 ( -3.432 1.652 2.389) 4.496 21.664 ( -3.893 -2.698 1.152) 4.874 21.822 ( 3.551 3.051 0.260) 4.689 21.864 ( 3.737 -0.916 0.555) 3.888 22.139 ( -3.386 2.522 6.282) 7.569 22.208 ( -3.118 -3.129 0.147) 4.420 22.452 ( -4.252 4.216 -0.939) 6.061 22.574 ( -1.629 -5.874 -2.107) 6.449 ======================= Grid point 61 (37/42) ======================= q-point: ( 0.25 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 5.245 11.254 -8.342) 14.958 1.303 ( 9.206 12.518 -3.626) 15.956 1.492 ( 4.127 -8.904 -2.709) 10.181 1.666 ( 3.409 -10.273 6.181) 12.464 1.733 ( 11.712 -1.417 6.164) 13.311 1.860 ( 6.056 -4.348 10.625) 12.980 1.944 ( 6.790 4.410 18.683) 20.362 2.058 ( 3.562 -0.023 9.109) 9.781 2.172 ( 4.883 -0.746 -1.937) 5.305 2.209 ( 10.210 -3.787 0.836) 10.922 2.297 ( 6.762 1.064 3.901) 7.879 2.343 ( 10.260 -3.455 5.989) 12.372 2.496 ( 0.602 9.359 1.859) 9.560 2.527 ( 2.944 1.002 0.311) 3.125 2.576 ( 4.485 0.234 -2.518) 5.149 2.599 ( 1.365 4.933 0.731) 5.170 2.639 ( 0.780 0.360 -4.715) 4.792 2.714 ( 5.165 -3.991 2.434) 6.966 2.729 ( 0.115 -3.142 -1.519) 3.492 2.752 ( 1.719 0.131 1.773) 2.473 2.803 ( -1.968 -4.542 -0.227) 4.955 2.840 ( -1.826 -3.578 0.262) 4.026 2.937 ( -3.133 -1.188 0.952) 3.484 2.952 ( 0.133 -2.457 0.018) 2.461 3.036 ( -2.045 4.769 0.853) 5.258 3.071 ( 6.154 4.106 -0.981) 7.463 3.107 ( 2.739 -1.159 0.110) 2.976 3.146 ( 3.665 5.271 -0.049) 6.420 3.171 ( 1.175 0.588 -1.403) 1.923 3.224 ( 2.737 -2.279 -2.910) 4.600 3.235 ( 1.350 1.299 -2.500) 3.124 3.286 ( 0.113 0.268 0.453) 0.538 3.315 ( -1.519 1.586 -1.261) 2.532 3.327 ( 3.853 1.015 -3.977) 5.629 3.365 ( 0.032 -1.269 -3.542) 3.763 3.415 ( 1.287 -6.402 0.832) 6.582 3.458 ( 0.750 -0.218 0.475) 0.915 3.497 ( -1.588 2.479 -2.788) 4.055 3.504 ( -2.819 1.802 0.765) 3.432 3.578 ( -0.012 -1.420 -0.634) 1.555 3.584 ( 2.908 0.235 -2.244) 3.681 3.619 ( 5.373 -2.431 1.819) 6.171 3.649 ( -1.041 -1.219 1.758) 2.380 3.677 ( -1.105 0.034 1.306) 1.711 3.708 ( -2.771 -2.679 2.449) 4.567 3.739 ( -4.860 -3.026 -1.433) 5.901 3.801 ( -5.595 2.515 1.098) 6.232 3.817 ( -0.547 2.060 0.706) 2.245 3.911 ( 0.948 0.944 -4.698) 4.885 3.948 ( -2.718 0.571 -0.065) 2.778 3.984 ( -0.326 -2.405 8.455) 8.796 3.999 ( 1.793 -2.429 -1.351) 3.308 4.115 ( -1.939 2.924 -1.294) 3.740 4.130 ( -3.565 2.903 1.149) 4.739 4.156 ( 0.382 1.123 -2.827) 3.066 4.193 ( 0.578 0.163 -2.106) 2.190 4.241 ( -1.932 3.363 6.903) 7.918 4.248 ( 2.736 0.820 3.930) 4.859 4.343 ( -0.458 -0.557 -1.982) 2.109 4.398 ( 1.189 -5.702 -3.457) 6.773 4.489 ( -2.893 5.445 -0.214) 6.169 4.576 ( 0.773 2.072 0.730) 2.329 4.622 ( -0.291 2.057 -0.604) 2.163 4.635 ( 0.236 1.093 -0.537) 1.241 4.640 ( 1.696 -3.735 1.085) 4.243 4.685 ( -4.533 -0.546 2.386) 5.151 4.713 ( 0.130 1.688 3.527) 3.912 4.740 ( -0.660 -1.450 0.071) 1.595 4.790 ( 0.472 0.704 -2.745) 2.873 4.845 ( -2.331 -0.191 -5.262) 5.758 4.897 ( -2.096 0.001 -1.901) 2.829 4.936 ( -2.952 -2.360 -1.910) 4.234 5.003 ( -3.647 -0.250 -3.012) 4.737 5.057 ( 0.065 3.706 2.164) 4.292 5.101 ( -2.995 -4.556 0.468) 5.473 5.155 ( -0.655 1.050 0.124) 1.243 5.193 ( 0.963 -4.652 1.443) 4.965 5.232 ( -0.485 -6.043 -1.976) 6.377 5.277 ( 1.501 3.533 -3.224) 5.014 5.330 ( 1.527 -0.270 0.469) 1.620 5.354 ( 0.383 -0.532 -0.935) 1.142 5.373 ( 2.102 -0.911 -4.041) 4.645 5.475 ( -1.640 1.372 -0.327) 2.163 5.491 ( -1.511 1.194 -3.512) 4.006 5.592 ( -1.060 4.292 -2.398) 5.029 5.635 ( -1.538 1.454 -0.091) 2.118 5.695 ( -1.264 -0.900 0.166) 1.560 5.709 ( -0.370 -1.473 3.163) 3.509 5.849 ( -3.909 1.077 -1.893) 4.475 5.883 ( -3.238 -2.408 -0.597) 4.079 5.951 ( -3.387 1.050 0.185) 3.551 5.961 ( -2.888 0.073 0.115) 2.891 6.265 ( -2.320 1.523 -0.227) 2.785 6.305 ( -1.758 -1.777 -1.095) 2.728 6.379 ( -1.463 3.149 1.729) 3.878 6.441 ( 0.431 -2.127 2.260) 3.134 6.863 ( -2.315 4.862 2.534) 5.951 6.970 ( -0.445 -2.664 -0.230) 2.710 6.992 ( -0.241 -0.359 -2.267) 2.308 7.043 ( 1.183 -3.287 -5.209) 6.272 7.448 ( -1.593 0.475 -2.886) 3.331 7.462 ( -1.676 -0.573 -3.183) 3.642 7.504 ( -2.807 2.361 -1.559) 3.985 7.537 ( -3.024 -0.747 -0.053) 3.116 7.857 ( -1.282 1.153 2.955) 3.421 7.891 ( -1.107 -1.763 2.037) 2.912 7.952 ( 2.237 1.613 0.328) 2.777 7.989 ( 4.010 -1.626 -1.190) 4.488 8.874 ( -2.747 1.471 10.722) 11.165 8.898 ( -3.764 -0.945 7.150) 8.135 8.942 ( -0.419 1.589 2.074) 2.646 8.984 ( 0.883 -2.021 1.537) 2.688 9.110 ( 0.504 -0.440 -4.757) 4.803 9.149 ( 0.014 -3.566 -4.365) 5.636 9.228 ( 0.935 1.658 -3.644) 4.111 9.266 ( 2.425 -1.563 -6.485) 7.098 9.478 ( -1.944 6.297 0.585) 6.616 9.566 ( -2.545 -1.300 2.018) 3.498 9.644 ( -2.816 2.950 2.391) 4.727 9.682 ( 0.646 3.366 1.969) 3.953 9.705 ( 0.421 0.952 -1.345) 1.702 9.831 ( -2.092 -5.566 -1.041) 6.037 9.852 ( -1.519 1.757 -1.779) 2.926 9.932 ( -1.135 -4.439 -0.564) 4.616 10.068 ( -3.552 2.120 2.579) 4.874 10.134 ( -3.700 -3.823 1.328) 5.484 10.251 ( 0.306 3.049 -0.219) 3.072 10.320 ( -0.441 -2.966 -2.303) 3.781 10.910 ( 2.436 2.586 -5.057) 6.180 10.934 ( 1.638 1.424 -2.753) 3.505 11.107 ( 2.055 -0.695 -1.772) 2.801 11.123 ( 1.404 -1.558 3.366) 3.966 11.401 ( 3.446 0.764 3.602) 5.043 11.431 ( 4.118 -1.364 -0.511) 4.368 11.515 ( 3.658 2.804 1.044) 4.726 11.576 ( 0.809 -2.565 6.155) 6.717 12.061 ( -3.692 1.477 7.315) 8.326 12.095 ( -2.462 -1.530 7.454) 7.998 12.210 ( -0.895 1.381 -5.459) 5.702 12.240 ( 0.327 -1.357 -5.184) 5.368 13.931 ( -1.311 1.376 0.610) 1.996 13.974 ( -2.836 -2.068 0.009) 3.510 14.019 ( -0.819 3.979 -0.415) 4.084 14.090 ( -1.922 -2.464 0.578) 3.177 14.652 ( 3.059 1.338 1.287) 3.578 14.691 ( 3.525 -2.211 -0.295) 4.171 14.835 ( 3.083 2.320 -1.527) 4.150 14.874 ( 3.717 -1.203 -3.941) 5.549 15.836 ( -2.452 1.635 4.643) 5.499 15.878 ( -2.395 -2.101 2.145) 3.840 15.969 ( -1.943 2.482 -1.969) 3.717 16.025 ( -2.281 -2.472 -3.129) 4.594 18.707 ( -3.059 2.366 0.360) 3.884 18.727 ( -3.084 1.452 -0.072) 3.409 18.907 ( -10.741 -0.945 -0.523) 10.796 18.923 ( -10.338 -1.784 -2.269) 10.733 20.466 ( 0.126 0.277 -1.432) 1.464 20.474 ( 0.292 -0.389 -0.932) 1.052 20.554 ( -0.345 0.298 0.828) 0.945 20.562 ( -0.539 -0.454 0.905) 1.147 20.758 ( 5.168 4.173 1.203) 6.751 20.867 ( 3.682 -5.520 0.012) 6.635 20.944 ( 2.905 0.756 1.964) 3.588 20.968 ( 4.349 -1.603 2.023) 5.057 21.173 ( 2.243 0.445 1.208) 2.586 21.181 ( 2.585 0.792 1.237) 2.973 21.219 ( 0.798 5.250 -3.502) 6.361 21.322 ( 3.181 -3.207 -3.369) 5.635 21.449 ( 0.627 -0.024 0.859) 1.064 21.459 ( 0.862 -0.719 1.100) 1.572 21.530 ( 1.873 1.900 -1.633) 3.128 21.574 ( -0.844 -2.343 -3.381) 4.199 21.585 ( -0.677 0.253 2.911) 3.000 21.612 ( 3.891 -1.834 2.194) 4.829 21.896 ( 2.624 2.705 1.080) 3.920 21.935 ( 2.601 -0.895 0.500) 2.795 22.112 ( -2.920 0.693 3.921) 4.938 22.148 ( -2.396 -2.568 0.034) 3.512 22.367 ( -3.607 5.603 -0.544) 6.686 22.481 ( -4.932 -4.468 -3.005) 7.302 ======================= Grid point 62 (38/42) ======================= q-point: ( 0.38 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 12.942 6.812 -1.352) 14.688 1.516 ( 11.631 10.779 0.625) 15.870 1.613 ( 9.065 -7.939 2.301) 12.268 1.774 ( 3.767 -9.734 2.836) 10.816 1.951 ( -0.607 -0.692 -1.322) 1.611 2.013 ( 2.634 -1.874 2.959) 4.382 2.074 ( -0.055 4.753 13.951) 14.739 2.152 ( -0.776 1.306 14.194) 14.275 2.228 ( 3.052 2.315 2.700) 4.686 2.305 ( 1.600 -1.694 -0.685) 2.429 2.422 ( 0.161 3.835 2.509) 4.585 2.448 ( -2.124 7.390 -3.486) 8.443 2.522 ( 1.001 -3.376 3.691) 5.101 2.577 ( -0.762 -2.309 1.447) 2.829 2.625 ( 1.363 -3.111 2.008) 3.946 2.642 ( 4.280 -4.145 0.971) 6.036 2.666 ( 2.877 1.878 2.717) 4.380 2.715 ( 2.544 0.608 -2.510) 3.625 2.743 ( 0.419 -2.098 -2.045) 2.960 2.826 ( 3.378 -3.273 -3.935) 6.132 2.842 ( -0.449 1.354 2.398) 2.791 2.926 ( 0.327 -8.069 2.833) 8.558 2.959 ( 2.798 0.898 3.814) 4.815 2.993 ( 2.299 -0.428 1.622) 2.845 3.017 ( 1.520 0.408 1.081) 1.909 3.042 ( -5.696 -0.354 1.068) 5.806 3.064 ( -2.669 -0.755 -3.187) 4.226 3.112 ( -4.936 -4.022 -2.546) 6.857 3.166 ( -0.079 1.958 -1.401) 2.409 3.192 ( -1.018 3.856 0.247) 3.996 3.212 ( -0.197 3.290 3.679) 4.939 3.287 ( -4.546 0.217 0.409) 4.570 3.309 ( 1.023 4.807 -0.241) 4.920 3.344 ( -1.489 0.278 -6.909) 7.073 3.399 ( 3.254 -0.322 -4.131) 5.269 3.403 ( 3.147 -4.064 -3.280) 6.097 3.467 ( 3.170 2.637 0.166) 4.126 3.481 ( -1.029 3.573 1.121) 3.883 3.510 ( 0.729 0.500 2.132) 2.308 3.570 ( 2.415 -0.082 -0.492) 2.466 3.593 ( -2.310 -1.459 0.392) 2.760 3.604 ( 0.170 -2.606 -1.647) 3.087 3.662 ( -1.434 2.210 3.709) 4.550 3.675 ( 2.409 1.076 2.653) 3.741 3.721 ( -3.867 0.669 2.901) 4.881 3.737 ( 1.616 -4.187 1.483) 4.726 3.789 ( -2.441 -0.715 1.646) 3.029 3.820 ( 7.538 -4.481 -2.351) 9.079 3.912 ( 2.373 3.178 -4.728) 6.171 3.939 ( -2.285 5.402 -0.942) 5.941 4.010 ( 1.750 1.594 -6.403) 6.827 4.017 ( 1.038 -4.155 -4.729) 6.381 4.070 ( 2.881 -1.998 -0.620) 3.560 4.075 ( -1.327 2.485 1.034) 3.001 4.189 ( 1.474 -1.699 -1.184) 2.542 4.209 ( 4.905 -2.648 -3.427) 6.544 4.299 ( -0.352 1.630 3.598) 3.965 4.325 ( -1.051 0.062 0.653) 1.239 4.369 ( 5.071 4.886 -3.849) 8.026 4.403 ( 2.803 1.635 3.556) 4.814 4.504 ( 2.324 -0.148 -0.191) 2.336 4.538 ( -1.685 -1.217 2.081) 2.941 4.573 ( -2.446 1.046 -0.162) 2.665 4.621 ( -1.248 -1.340 0.276) 1.852 4.666 ( 0.122 -0.649 0.706) 0.967 4.673 ( -2.893 0.009 0.427) 2.924 4.700 ( -1.415 1.316 2.677) 3.302 4.728 ( 0.695 -1.147 2.371) 2.724 4.773 ( -1.994 1.213 -1.447) 2.746 4.815 ( -0.626 6.021 -1.467) 6.228 4.847 ( 0.686 -3.183 -3.992) 5.151 4.878 ( -2.878 -0.326 -1.744) 3.381 4.915 ( -1.530 -1.978 -1.421) 2.876 5.012 ( -3.316 -3.835 -1.122) 5.192 5.062 ( -0.835 1.294 2.342) 2.803 5.159 ( -0.252 0.275 1.361) 1.411 5.195 ( -2.000 -0.324 1.125) 2.318 5.211 ( -1.082 -6.630 -3.311) 7.489 5.234 ( -2.709 2.341 -1.758) 3.988 5.328 ( -0.352 -3.504 -0.216) 3.528 5.345 ( 0.269 4.201 -3.317) 5.359 5.439 ( -0.920 4.329 1.004) 4.539 5.460 ( 4.922 -3.428 -2.245) 6.405 5.498 ( 3.249 -0.809 -1.587) 3.705 5.530 ( -1.508 0.956 -1.513) 2.340 5.580 ( -2.077 -0.915 -1.087) 2.517 5.662 ( -3.093 1.066 0.982) 3.416 5.686 ( -3.767 -1.061 1.730) 4.279 5.770 ( -0.870 2.012 -0.394) 2.227 5.833 ( -0.910 -3.200 -0.213) 3.334 5.890 ( -2.826 0.963 0.192) 2.991 5.900 ( -2.825 -0.106 0.541) 2.878 6.223 ( -1.298 3.216 0.826) 3.566 6.293 ( 0.604 -2.809 0.315) 2.890 6.348 ( -2.992 4.768 1.090) 5.733 6.431 ( -2.476 -2.506 0.340) 3.539 6.838 ( -1.897 5.629 2.643) 6.502 6.951 ( 0.248 0.000 -4.295) 4.303 6.974 ( -1.128 -2.842 0.983) 3.212 7.032 ( 1.616 -4.066 -5.465) 7.001 7.401 ( -0.564 0.799 -2.947) 3.105 7.414 ( -0.703 -0.348 -2.559) 2.676 7.436 ( -2.685 1.529 -1.075) 3.272 7.459 ( -3.737 -0.531 -0.848) 3.868 7.853 ( -1.345 1.200 3.383) 3.834 7.888 ( -0.388 -1.875 1.339) 2.337 8.002 ( 1.835 2.439 1.170) 3.269 8.052 ( 2.955 -1.971 -1.647) 3.916 8.892 ( -2.249 0.048 7.923) 8.236 8.905 ( -2.296 -0.767 10.759) 11.028 8.962 ( 0.123 2.612 4.336) 5.064 9.014 ( 0.601 -1.460 2.376) 2.853 9.094 ( 1.276 -0.641 -5.059) 5.257 9.124 ( 0.164 -3.418 -3.357) 4.793 9.209 ( 0.718 1.745 -5.110) 5.447 9.253 ( 1.502 -2.141 -7.910) 8.331 9.459 ( -0.604 5.335 1.604) 5.604 9.540 ( -1.313 -1.508 0.777) 2.145 9.619 ( -0.912 4.529 1.327) 4.806 9.692 ( -2.160 -0.895 1.691) 2.886 9.715 ( -0.439 0.441 2.715) 2.785 9.765 ( -0.635 -2.319 -2.446) 3.430 9.845 ( 0.604 2.147 -0.881) 2.398 9.896 ( -1.447 -2.036 -1.978) 3.186 10.049 ( -0.749 0.771 3.287) 3.458 10.093 ( -0.979 -3.200 2.133) 3.968 10.246 ( -0.252 2.461 -1.584) 2.937 10.293 ( -0.733 -1.777 -2.432) 3.100 10.911 ( -0.157 1.808 -2.301) 2.931 10.936 ( 2.006 -0.035 -5.740) 6.081 11.146 ( 2.802 -0.228 -1.600) 3.234 11.158 ( 0.478 -1.048 1.660) 2.020 11.494 ( 2.481 0.006 3.920) 4.640 11.511 ( 3.615 -1.074 0.444) 3.797 11.586 ( 1.940 1.072 2.331) 3.217 11.606 ( -1.269 -0.942 4.135) 4.427 12.039 ( -3.388 2.603 6.226) 7.550 12.093 ( -2.248 -2.180 5.519) 6.345 12.160 ( 0.172 2.268 -5.520) 5.970 12.211 ( 0.755 -2.206 -5.191) 5.691 13.920 ( -0.619 0.194 1.279) 1.434 13.934 ( -1.578 -0.858 1.405) 2.280 13.999 ( -0.419 2.598 -1.315) 2.941 14.049 ( -1.812 -1.900 -1.006) 2.811 14.724 ( 2.077 1.121 3.043) 3.851 14.758 ( 2.593 -2.006 0.788) 3.372 14.868 ( 1.607 2.022 -1.914) 3.214 14.900 ( 1.918 -0.885 -4.102) 4.614 15.824 ( -2.104 0.892 4.903) 5.409 15.848 ( -2.908 -1.194 4.308) 5.333 15.930 ( 0.339 1.588 -4.187) 4.491 15.963 ( -0.903 -1.356 -4.425) 4.716 18.660 ( -1.949 1.505 0.664) 2.550 18.673 ( -1.616 0.825 -0.523) 1.888 18.738 ( -5.758 -0.908 -0.296) 5.837 18.745 ( -5.795 -1.093 -1.982) 6.222 20.477 ( 1.191 0.420 0.004) 1.263 20.493 ( 1.265 -0.985 0.501) 1.680 20.549 ( -1.064 0.133 0.220) 1.094 20.552 ( -0.495 -0.161 0.659) 0.839 20.876 ( 4.991 2.355 2.893) 6.231 20.924 ( 2.149 -2.155 1.742) 3.506 21.008 ( 2.195 1.755 0.909) 2.953 21.050 ( 2.627 -1.798 0.988) 3.333 21.180 ( -1.668 4.267 -2.563) 5.250 21.212 ( 1.334 -0.070 1.500) 2.008 21.235 ( 0.927 0.647 0.128) 1.138 21.315 ( -1.078 -4.125 -3.812) 5.719 21.460 ( -0.076 0.079 0.781) 0.789 21.478 ( 0.334 -1.534 1.030) 1.877 21.506 ( -2.165 0.443 -1.068) 2.454 21.529 ( -0.016 -1.475 -1.886) 2.394 21.649 ( 3.733 3.940 2.224) 5.866 21.736 ( 5.734 -3.785 -0.068) 6.871 21.908 ( -1.776 2.305 -0.951) 3.062 21.955 ( -1.139 -1.843 -0.547) 2.235 22.090 ( -1.259 0.932 2.495) 2.945 22.122 ( -0.142 -1.777 -0.736) 1.929 22.314 ( -1.492 3.979 0.701) 4.307 22.380 ( -2.194 -1.863 -2.931) 4.108 ======================= Grid point 63 (39/42) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.091 3.688 -0.228) 3.697 1.703 ( 7.119 4.216 -1.173) 8.356 1.733 ( 1.079 6.384 2.922) 7.103 1.793 ( -4.666 0.978 -1.743) 5.076 1.903 ( 8.164 2.581 2.247) 8.852 1.968 ( -6.178 -2.755 -2.708) 7.287 2.156 ( 0.028 -5.358 4.727) 7.145 2.183 ( -0.312 -7.231 1.608) 7.415 2.296 ( -1.871 1.187 10.111) 10.351 2.335 ( 1.084 -0.935 8.970) 9.084 2.402 ( -1.195 0.241 -0.479) 1.310 2.425 ( -1.034 0.810 3.479) 3.719 2.514 ( -5.318 1.899 5.844) 8.127 2.555 ( -5.004 -1.566 1.122) 5.362 2.625 ( 2.408 -1.072 -0.618) 2.707 2.657 ( -4.332 -2.373 4.062) 6.395 2.726 ( -2.532 0.940 2.601) 3.749 2.773 ( 1.145 -2.131 1.961) 3.114 2.802 ( 5.792 3.450 -1.659) 6.943 2.831 ( -4.572 0.067 0.130) 4.575 2.863 ( -4.187 -1.347 0.074) 4.399 2.899 ( -1.851 -5.493 3.896) 6.984 2.932 ( 3.143 0.958 -1.830) 3.761 2.965 ( -1.115 0.262 0.175) 1.159 2.974 ( 1.896 -2.287 0.915) 3.108 2.992 ( 1.454 -3.388 -0.276) 3.697 3.048 ( 0.568 0.188 -5.348) 5.382 3.097 ( 3.032 -2.715 -3.754) 5.537 3.168 ( -1.073 1.109 -2.208) 2.694 3.172 ( -1.771 0.380 -2.064) 2.746 3.190 ( -2.094 1.612 1.653) 3.117 3.208 ( 0.019 -0.388 -0.185) 0.430 3.305 ( 3.314 6.128 4.683) 8.394 3.383 ( -2.153 4.200 2.706) 5.440 3.399 ( -1.738 3.206 -2.122) 4.219 3.483 ( 1.327 -1.171 3.122) 3.589 3.501 ( -2.687 -1.379 1.146) 3.230 3.506 ( -0.121 -0.620 -0.977) 1.163 3.527 ( 3.124 1.697 0.333) 3.571 3.549 ( 1.195 -0.235 1.546) 1.968 3.609 ( -6.203 1.109 8.315) 10.432 3.625 ( 0.454 0.328 0.638) 0.849 3.654 ( -0.859 -2.832 7.870) 8.408 3.658 ( -2.896 -0.588 -3.301) 4.431 3.745 ( -3.319 -1.724 4.632) 5.953 3.753 ( -0.979 -1.798 0.295) 2.068 3.801 ( 8.661 3.232 -6.810) 11.482 3.850 ( -4.002 3.331 -0.726) 5.257 3.890 ( -0.052 -0.737 -5.900) 5.946 3.914 ( 2.890 1.153 -9.720) 10.206 3.985 ( 2.932 -1.073 -3.063) 4.374 4.002 ( 1.898 -0.918 -4.320) 4.807 4.070 ( -2.803 3.582 -0.367) 4.563 4.115 ( 3.195 -1.597 -5.791) 6.804 4.188 ( -1.319 -3.384 1.581) 3.961 4.206 ( -5.562 -5.516 1.481) 7.973 4.311 ( 1.317 2.398 -2.673) 3.825 4.329 ( 5.975 0.854 -3.731) 7.096 4.457 ( 0.723 0.182 0.403) 0.847 4.466 ( 1.895 -1.107 0.179) 2.202 4.501 ( 3.773 3.925 0.336) 5.454 4.522 ( -3.143 3.836 -0.790) 5.022 4.578 ( 0.159 -0.323 2.061) 2.092 4.602 ( -3.244 -0.524 1.002) 3.436 4.655 ( 0.311 -0.171 3.076) 3.096 4.674 ( -5.364 -1.200 3.450) 6.490 4.693 ( -1.167 2.596 0.619) 2.913 4.719 ( 3.879 -1.035 0.182) 4.019 4.763 ( 1.734 -2.589 0.341) 3.135 4.804 ( 2.593 4.214 -2.005) 5.338 4.811 ( -3.308 -4.062 0.757) 5.293 4.851 ( 2.708 1.326 -0.447) 3.048 4.923 ( 1.164 2.214 -1.724) 3.038 4.941 ( -2.549 2.255 -2.337) 4.129 5.090 ( 1.983 -1.891 1.063) 2.939 5.120 ( -1.168 -5.234 -1.962) 5.711 5.151 ( -0.391 5.135 -0.825) 5.216 5.175 ( -0.290 -4.182 -1.852) 4.583 5.232 ( 1.418 0.457 3.740) 4.026 5.300 ( -1.848 1.334 -2.192) 3.162 5.360 ( 2.304 -4.531 -0.928) 5.167 5.412 ( -0.196 0.541 -4.680) 4.715 5.475 ( 0.836 -3.119 -0.659) 3.295 5.498 ( -0.766 -1.082 -1.866) 2.289 5.578 ( -0.007 1.378 -0.133) 1.385 5.590 ( 2.828 0.821 -2.212) 3.683 5.631 ( 0.227 0.865 0.276) 0.936 5.647 ( 2.593 -0.066 -1.140) 2.833 5.807 ( 2.369 1.123 1.614) 3.078 5.830 ( -0.733 0.109 0.196) 0.767 5.855 ( 0.270 -0.490 0.594) 0.816 5.868 ( 0.147 -2.255 -1.265) 2.590 6.245 ( 2.181 4.089 2.658) 5.343 6.286 ( -2.133 4.513 -0.844) 5.062 6.325 ( 0.855 -2.442 1.994) 3.266 6.366 ( -2.239 -1.793 -1.332) 3.163 6.830 ( -0.991 4.884 3.311) 5.983 6.927 ( 0.796 0.920 -4.784) 4.936 6.959 ( -0.991 -2.567 1.006) 2.929 7.033 ( 2.300 -4.774 -5.101) 7.355 7.385 ( -1.252 0.766 -0.919) 1.732 7.395 ( 0.468 0.467 -1.603) 1.734 7.397 ( -0.592 0.482 -0.874) 1.160 7.410 ( 1.848 -0.146 -1.830) 2.605 7.850 ( -1.583 1.286 3.843) 4.351 7.889 ( -0.630 -2.202 1.326) 2.647 8.033 ( 0.430 2.334 0.799) 2.504 8.077 ( 0.978 -1.658 -2.332) 3.024 8.903 ( -3.167 0.244 9.238) 9.769 8.923 ( -2.904 -1.114 8.779) 9.314 9.008 ( 0.161 2.063 6.354) 6.682 9.034 ( 0.471 -0.278 -0.126) 0.561 9.088 ( 1.218 0.009 -3.386) 3.599 9.105 ( -0.600 -2.371 -0.398) 2.478 9.198 ( 3.240 -0.706 -8.846) 9.447 9.224 ( 2.183 -1.974 -9.311) 9.765 9.475 ( 0.323 3.834 2.930) 4.836 9.508 ( -1.925 1.190 -0.480) 2.313 9.622 ( -3.678 1.155 1.999) 4.343 9.639 ( 1.555 0.665 0.649) 1.811 9.739 ( 0.039 1.114 4.180) 4.326 9.775 ( -0.032 0.377 1.760) 1.800 9.833 ( 0.129 -0.917 -2.126) 2.319 9.863 ( 0.808 -1.872 -4.280) 4.741 10.076 ( 0.654 0.591 3.199) 3.318 10.109 ( 0.257 -2.570 0.971) 2.759 10.227 ( -0.260 2.022 -0.531) 2.107 10.258 ( -0.657 -0.837 -2.718) 2.919 10.873 ( -2.783 2.348 0.943) 3.761 10.929 ( 0.511 -2.403 -4.158) 4.830 11.156 ( -0.345 2.023 0.170) 2.060 11.207 ( 4.438 -2.216 -4.363) 6.606 11.523 ( -3.403 0.670 5.082) 6.153 11.553 ( -1.556 -1.982 2.335) 3.435 11.613 ( 1.006 0.920 1.625) 2.122 11.632 ( 2.076 -0.912 0.272) 2.284 12.013 ( -3.466 3.627 6.020) 7.837 12.088 ( -2.184 -2.865 5.458) 6.539 12.144 ( 2.201 2.737 -5.504) 6.529 12.204 ( 2.117 -2.445 -4.952) 5.914 13.915 ( -0.815 0.876 2.108) 2.424 13.938 ( 0.765 -1.183 0.814) 1.627 13.989 ( 0.100 0.984 -0.391) 1.064 14.010 ( -0.950 -0.915 -1.531) 2.021 14.765 ( -0.441 0.917 3.152) 3.312 14.794 ( 0.074 -1.817 1.435) 2.317 14.878 ( 1.106 1.437 -2.773) 3.313 14.896 ( 0.678 -0.336 -4.068) 4.138 15.822 ( -2.145 0.253 5.192) 5.624 15.828 ( -1.988 -0.292 5.143) 5.522 15.924 ( 2.146 0.350 -4.637) 5.121 15.931 ( 1.083 -0.304 -4.772) 4.903 18.642 ( -0.166 0.559 1.141) 1.282 18.655 ( -1.413 -0.578 0.680) 1.671 18.671 ( -0.640 0.495 -1.422) 1.636 18.680 ( 1.815 -0.288 -1.446) 2.338 20.505 ( 1.335 -0.016 0.313) 1.371 20.509 ( -0.618 -0.268 0.021) 0.674 20.538 ( 0.509 -0.220 0.371) 0.667 20.542 ( -0.648 -0.540 -0.024) 0.844 20.963 ( 0.778 1.321 2.993) 3.363 20.983 ( 1.458 -0.643 0.980) 1.871 21.040 ( 0.405 3.099 1.332) 3.398 21.091 ( 0.013 1.462 -0.496) 1.544 21.127 ( -0.649 1.265 1.055) 1.771 21.208 ( -2.518 -2.805 -3.231) 4.965 21.241 ( 0.187 -0.257 1.109) 1.153 21.269 ( -0.140 -2.353 -2.067) 3.136 21.463 ( -0.028 0.624 1.004) 1.182 21.477 ( -0.489 1.085 -0.508) 1.293 21.493 ( 0.399 -2.155 0.967) 2.396 21.511 ( -0.498 -2.137 -1.503) 2.660 21.740 ( 3.172 4.010 3.139) 5.999 21.804 ( -1.049 -0.556 -2.409) 2.685 21.860 ( 0.815 -0.854 0.634) 1.340 21.889 ( -3.505 -2.484 -1.996) 4.738 22.082 ( -2.011 2.036 2.751) 3.970 22.122 ( 0.293 -1.721 -0.174) 1.754 22.316 ( 1.325 2.914 -0.090) 3.202 22.359 ( 1.887 -0.967 -3.399) 4.006 ======================= Grid point 64 (40/42) ======================= q-point: (-0.38 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -15.184 11.212 -1.429) 18.928 1.563 ( -12.624 9.830 -2.381) 16.176 1.680 ( -11.405 -11.304 -4.256) 16.612 1.809 ( -3.507 -8.542 2.949) 9.693 1.889 ( 2.895 7.422 -0.855) 8.012 2.008 ( -1.518 -3.273 2.546) 4.416 2.228 ( -10.641 2.325 4.400) 11.748 2.249 ( 0.768 -1.111 -1.520) 2.033 2.261 ( 2.540 -0.949 0.660) 2.791 2.323 ( -1.425 0.810 6.959) 7.149 2.399 ( -3.281 3.198 9.223) 10.299 2.425 ( 0.958 0.518 1.851) 2.148 2.477 ( -0.278 4.465 -3.078) 5.430 2.502 ( -3.459 -2.580 9.097) 10.069 2.576 ( -5.707 -1.078 7.671) 9.622 2.644 ( -2.928 -5.354 2.486) 6.590 2.684 ( -1.529 -1.481 -1.328) 2.509 2.704 ( -3.142 -2.399 -0.097) 3.955 2.725 ( -5.539 -4.295 0.812) 7.057 2.758 ( 0.484 -5.002 -3.967) 6.402 2.896 ( 1.876 2.560 3.172) 4.487 2.940 ( -5.069 1.536 1.287) 5.450 2.970 ( 0.814 -3.116 4.564) 5.586 3.001 ( 1.009 -0.944 -0.206) 1.397 3.018 ( 1.621 1.745 -0.730) 2.491 3.047 ( 1.973 1.302 -2.273) 3.280 3.080 ( 4.532 -0.438 -2.959) 5.430 3.108 ( -2.560 -1.200 -0.124) 2.830 3.130 ( 2.460 -0.268 -1.811) 3.067 3.155 ( -1.988 -1.797 -0.270) 2.694 3.202 ( -9.911 2.333 2.653) 10.522 3.227 ( -0.685 -0.059 1.091) 1.289 3.281 ( 1.972 4.823 3.197) 6.113 3.336 ( -4.134 1.327 -3.144) 5.361 3.355 ( -5.335 3.850 2.670) 7.100 3.391 ( -3.356 -1.753 -1.323) 4.011 3.425 ( 0.261 1.817 5.241) 5.553 3.470 ( -2.328 -2.149 1.118) 3.359 3.552 ( -3.689 1.669 -0.233) 4.056 3.561 ( 0.261 -3.282 1.607) 3.664 3.587 ( 2.925 -2.156 -0.422) 3.658 3.600 ( 1.495 0.124 -1.583) 2.181 3.666 ( 2.268 3.963 2.481) 5.196 3.701 ( -1.645 1.147 2.784) 3.431 3.728 ( -0.358 -1.537 2.979) 3.371 3.766 ( 2.023 -0.079 0.212) 2.035 3.787 ( 3.151 4.307 -4.170) 6.773 3.820 ( 0.456 -0.251 3.365) 3.405 3.857 ( -6.461 2.707 -1.641) 7.195 3.929 ( -0.953 -3.944 -0.579) 4.099 3.989 ( 4.366 2.225 -4.016) 6.336 4.031 ( 1.649 -2.082 -4.476) 5.204 4.055 ( 3.147 4.365 -2.153) 5.796 4.074 ( -5.127 -6.237 4.719) 9.352 4.122 ( 1.781 -1.565 -3.500) 4.228 4.206 ( 1.197 -3.915 -0.659) 4.147 4.344 ( -6.507 4.587 -2.024) 8.214 4.357 ( 4.854 1.310 -2.492) 5.611 4.400 ( 0.587 2.505 -5.288) 5.881 4.459 ( -2.446 2.607 -1.089) 3.737 4.520 ( -2.570 -0.415 -0.020) 2.604 4.555 ( -0.613 3.067 1.259) 3.372 4.560 ( 1.131 -2.768 -0.394) 3.016 4.608 ( 1.054 -0.252 1.893) 2.182 4.642 ( 2.575 -2.381 3.671) 5.077 4.655 ( -0.670 -4.929 -1.198) 5.117 4.701 ( -0.281 3.025 2.060) 3.671 4.754 ( -0.828 -0.784 -1.437) 1.834 4.781 ( 0.383 -2.104 2.614) 3.378 4.792 ( 1.025 -0.724 0.524) 1.360 4.850 ( 2.714 3.176 -0.398) 4.197 4.879 ( 2.354 4.847 -5.683) 7.831 4.948 ( 4.585 -2.556 -3.046) 6.069 4.982 ( 3.285 -1.561 1.703) 4.016 5.102 ( 2.593 -0.781 -0.851) 2.839 5.146 ( 0.744 1.823 1.380) 2.404 5.173 ( -0.335 -0.715 -0.285) 0.840 5.197 ( 3.421 -4.907 2.148) 6.356 5.250 ( -0.279 2.550 -3.752) 4.546 5.305 ( 1.649 -0.732 3.249) 3.716 5.336 ( -1.487 -0.096 -3.350) 3.667 5.419 ( 1.061 -5.429 -1.992) 5.879 5.475 ( 1.354 3.396 -1.705) 4.034 5.507 ( 1.925 1.398 -0.249) 2.392 5.552 ( -0.170 1.198 -3.310) 3.524 5.597 ( 0.989 -0.292 -3.808) 3.945 5.686 ( 3.615 1.723 -0.948) 4.115 5.719 ( 4.673 -0.327 -1.515) 4.923 5.796 ( 0.700 0.259 -2.452) 2.563 5.833 ( 0.181 -2.781 -0.210) 2.795 5.892 ( 3.265 0.527 -0.236) 3.316 5.920 ( 3.757 -1.673 -1.066) 4.249 6.258 ( 0.530 3.603 -2.016) 4.163 6.296 ( -0.569 -0.077 0.009) 0.574 6.338 ( 2.678 3.571 2.562) 5.147 6.408 ( 3.344 -2.850 2.126) 4.881 6.847 ( 0.178 3.077 3.863) 4.942 6.920 ( 1.520 1.229 -3.562) 4.063 6.952 ( -0.264 -1.215 0.560) 1.363 7.048 ( 2.581 -5.371 -4.798) 7.650 7.369 ( 0.121 0.638 0.092) 0.655 7.382 ( 0.325 -0.499 0.390) 0.712 7.441 ( 3.821 1.837 -1.552) 4.514 7.466 ( 4.669 -0.450 -1.407) 4.897 7.846 ( -1.400 1.015 3.597) 3.991 7.879 ( -1.177 -2.095 1.449) 2.806 8.029 ( -1.176 1.791 0.030) 2.143 8.060 ( -0.748 -1.123 -2.707) 3.025 8.883 ( -4.983 0.953 7.959) 9.438 8.916 ( -3.998 -1.793 7.916) 9.047 9.026 ( -0.923 0.585 2.007) 2.285 9.044 ( 0.315 -1.006 -0.348) 1.110 9.098 ( 1.085 1.404 -1.047) 2.060 9.110 ( 1.216 -0.536 1.260) 1.831 9.190 ( 3.189 -0.037 -10.798) 11.259 9.229 ( 4.022 -3.602 -7.845) 9.523 9.470 ( -1.350 3.617 0.391) 3.880 9.505 ( 0.286 0.176 3.134) 3.152 9.592 ( -0.561 5.130 3.352) 6.154 9.692 ( 1.915 -1.192 1.957) 2.986 9.735 ( -2.057 0.545 1.337) 2.513 9.787 ( -0.081 1.981 2.124) 2.905 9.834 ( 2.422 -1.316 -3.435) 4.404 9.896 ( 4.084 -2.703 -2.589) 5.540 10.090 ( -0.629 -0.463 0.797) 1.116 10.102 ( -0.466 -1.279 -0.307) 1.396 10.234 ( 0.290 1.085 0.199) 1.141 10.249 ( 0.827 0.035 0.546) 0.991 10.832 ( -2.478 1.921 3.573) 4.754 10.896 ( -1.712 -4.210 -0.704) 4.599 11.148 ( 0.267 5.394 -2.637) 6.010 11.245 ( 2.385 -3.305 -5.524) 6.865 11.451 ( -6.389 0.748 4.140) 7.649 11.488 ( -6.166 -2.304 2.780) 7.145 11.650 ( 0.741 0.858 0.773) 1.372 11.668 ( 2.010 -0.512 -1.557) 2.593 11.999 ( -2.298 3.800 7.524) 8.737 12.089 ( -1.596 -3.953 5.943) 7.314 12.165 ( 3.475 2.637 -5.262) 6.835 12.218 ( 2.631 -2.039 -4.812) 5.851 13.921 ( 0.023 1.857 1.537) 2.411 13.960 ( 1.289 -1.190 -0.956) 1.998 13.985 ( -0.149 0.964 -0.203) 0.997 14.018 ( 1.822 -1.596 1.549) 2.876 14.748 ( -2.849 1.057 1.572) 3.421 14.781 ( -1.973 -2.047 0.000) 2.843 14.862 ( -0.819 1.174 -3.069) 3.386 14.875 ( -0.410 -0.082 -2.207) 2.246 15.816 ( -1.813 0.983 5.172) 5.568 15.844 ( -0.514 -1.549 5.422) 5.662 15.936 ( 2.701 0.952 -4.192) 5.077 15.951 ( 3.508 -0.401 -4.008) 5.342 18.652 ( 1.115 1.615 1.123) 2.261 18.677 ( 2.202 1.429 -0.951) 2.793 18.700 ( 4.291 0.235 1.780) 4.652 18.757 ( 6.822 -2.788 -1.530) 7.527 20.483 ( -1.359 0.768 -0.518) 1.645 20.507 ( -1.137 -1.395 -0.835) 1.984 20.548 ( 1.132 0.401 0.284) 1.234 20.560 ( 1.104 -0.673 0.037) 1.293 20.935 ( -5.264 1.101 -1.911) 5.708 20.945 ( -3.450 -0.037 0.102) 3.451 21.038 ( -1.780 3.141 -1.397) 3.871 21.057 ( -0.241 2.653 0.454) 2.702 21.150 ( -0.828 -1.791 -1.466) 2.459 21.182 ( -0.006 -3.704 5.923) 6.986 21.236 ( -0.539 0.624 -0.152) 0.838 21.260 ( -0.224 -1.191 -0.533) 1.324 21.470 ( 0.054 0.485 -0.027) 0.489 21.475 ( 0.178 0.661 0.995) 1.208 21.490 ( -0.440 -1.169 -0.346) 1.296 21.509 ( 0.386 -2.043 0.919) 2.273 21.715 ( -3.325 1.925 -3.933) 5.498 21.760 ( -3.391 -2.108 -2.094) 4.509 21.859 ( 1.994 3.159 3.584) 5.177 21.922 ( 1.684 -2.456 3.115) 4.309 22.048 ( -3.251 3.454 3.582) 5.944 22.127 ( 0.437 -3.839 0.083) 3.865 22.361 ( 3.683 2.165 -1.495) 4.526 22.389 ( 3.895 -0.530 -4.839) 6.234 ======================= Grid point 65 (41/42) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -13.305 14.228 4.087) 19.904 1.280 ( -13.718 15.021 -0.752) 20.356 1.446 ( -10.206 -13.576 1.148) 17.023 1.675 ( -9.338 -18.754 2.782) 21.134 1.872 ( -13.455 6.996 -2.916) 15.443 1.916 ( -6.152 4.761 1.485) 7.920 1.977 ( -7.180 0.120 8.840) 11.389 2.128 ( -9.982 -6.565 3.312) 12.398 2.261 ( -9.988 7.156 10.653) 16.262 2.328 ( -4.204 1.601 -6.487) 7.894 2.341 ( -7.885 3.730 3.889) 9.550 2.393 ( -4.581 -0.838 3.921) 6.088 2.458 ( -7.773 -1.929 -6.847) 10.537 2.473 ( -5.195 -0.496 -2.801) 5.923 2.540 ( 1.262 -1.874 1.789) 2.882 2.558 ( -2.011 4.274 2.096) 5.168 2.605 ( -2.039 -4.660 2.425) 5.635 2.692 ( -2.620 -4.767 0.719) 5.486 2.726 ( -0.470 -2.104 -0.975) 2.366 2.770 ( -4.334 0.460 0.878) 4.446 2.801 ( -1.313 -1.695 2.555) 3.336 2.826 ( -0.461 -7.356 0.001) 7.370 2.897 ( -5.617 -0.017 3.438) 6.586 2.956 ( -3.514 -1.433 -0.201) 3.801 2.998 ( 0.032 2.387 1.812) 2.997 3.051 ( -1.628 2.734 4.595) 5.590 3.079 ( -3.402 1.584 2.593) 4.561 3.101 ( -3.346 1.868 5.078) 6.361 3.125 ( 2.201 -0.203 -0.817) 2.356 3.172 ( 3.228 4.246 -1.631) 5.577 3.208 ( 3.838 -2.244 3.152) 5.450 3.222 ( -2.126 -1.285 -0.745) 2.594 3.247 ( -0.435 -3.331 0.398) 3.383 3.304 ( -1.209 -2.111 0.247) 2.445 3.391 ( 0.657 3.953 -1.751) 4.373 3.404 ( 3.458 2.354 3.513) 5.463 3.443 ( 2.511 -0.556 2.280) 3.437 3.456 ( 0.069 -1.079 -0.983) 1.461 3.536 ( -0.830 5.034 -3.495) 6.184 3.581 ( 1.014 0.420 2.431) 2.667 3.625 ( -0.101 -0.310 -0.685) 0.759 3.633 ( -2.770 0.537 -1.033) 3.005 3.667 ( -1.369 -0.161 -0.546) 1.482 3.709 ( 4.283 -1.172 -1.989) 4.865 3.736 ( 2.609 -0.284 0.923) 2.782 3.765 ( -2.570 -2.692 -0.852) 3.818 3.796 ( 0.344 1.285 -2.341) 2.693 3.818 ( 1.232 1.021 0.938) 1.855 3.841 ( 3.758 -1.252 2.946) 4.937 3.963 ( 1.435 -1.752 1.205) 2.566 4.025 ( -0.830 4.495 -5.990) 7.535 4.048 ( 2.689 2.600 2.350) 4.417 4.094 ( 3.062 -0.064 -2.442) 3.917 4.149 ( 3.333 -2.720 -2.975) 5.231 4.176 ( 2.109 0.360 -0.283) 2.158 4.195 ( 6.800 -3.342 -2.484) 7.974 4.230 ( -2.579 6.244 4.091) 7.898 4.365 ( 0.020 -0.410 -3.509) 3.533 4.380 ( -2.806 -2.493 -0.599) 3.801 4.420 ( 1.242 -1.561 -4.099) 4.558 4.457 ( 0.274 1.276 3.327) 3.574 4.505 ( -2.190 -1.342 -4.503) 5.184 4.578 ( 0.067 0.589 -0.358) 0.693 4.616 ( -1.195 -0.389 3.488) 3.708 4.695 ( 0.912 -1.375 1.781) 2.427 4.706 ( 1.326 0.230 3.227) 3.497 4.709 ( 1.471 4.544 0.472) 4.799 4.770 ( 3.908 0.011 -1.386) 4.146 4.815 ( 0.742 -0.515 -1.427) 1.689 4.818 ( 0.912 -0.622 0.535) 1.227 4.865 ( 2.625 -1.361 -5.518) 6.261 4.947 ( -1.541 -5.102 -3.425) 6.335 4.964 ( 6.406 4.511 0.738) 7.869 5.079 ( 4.090 -2.311 1.000) 4.804 5.141 ( 2.100 0.271 -2.640) 3.384 5.154 ( -1.170 1.941 0.017) 2.266 5.184 ( 0.633 -1.256 2.120) 2.544 5.205 ( -1.130 0.164 2.507) 2.755 5.232 ( -2.239 -0.126 -1.220) 2.553 5.324 ( 1.023 1.633 -1.302) 2.326 5.335 ( 0.724 -2.889 1.993) 3.584 5.376 ( -2.364 -3.528 -2.958) 5.175 5.497 ( 0.582 2.478 -2.213) 3.373 5.516 ( 1.238 0.893 -6.576) 6.750 5.558 ( 1.715 2.907 0.079) 3.376 5.613 ( 1.359 -0.632 1.253) 1.953 5.727 ( 2.311 1.541 -2.408) 3.676 5.784 ( 2.361 -2.502 -1.244) 3.658 5.845 ( 4.232 0.605 -2.506) 4.955 5.874 ( 3.900 -1.913 -0.292) 4.353 5.959 ( 3.376 1.820 -0.195) 3.840 5.981 ( 3.480 0.490 -1.854) 3.973 6.270 ( 1.486 1.654 -0.882) 2.392 6.292 ( 0.338 -0.058 0.087) 0.354 6.390 ( 0.792 3.157 1.055) 3.422 6.458 ( -0.138 -3.588 0.494) 3.624 6.886 ( 0.764 1.652 3.364) 3.825 6.937 ( 2.042 1.116 -2.065) 3.111 6.958 ( 0.571 -0.085 0.208) 0.614 7.063 ( 2.263 -5.285 -4.720) 7.439 7.391 ( 1.180 0.719 1.865) 2.321 7.409 ( 1.406 -0.864 1.751) 2.406 7.512 ( 4.104 2.772 -1.859) 5.290 7.556 ( 4.821 -1.225 -1.901) 5.325 7.855 ( 0.134 0.250 2.893) 2.907 7.871 ( -0.572 -1.323 1.739) 2.259 7.989 ( -2.204 1.383 -1.213) 2.871 8.014 ( -1.730 -0.870 -2.911) 3.496 8.835 ( -4.760 1.116 7.485) 8.940 8.877 ( -5.198 -2.701 8.180) 10.061 9.018 ( -1.336 1.672 1.865) 2.839 9.044 ( 0.739 -1.315 -1.766) 2.322 9.114 ( 1.198 1.766 -0.765) 2.266 9.149 ( 1.376 -1.416 0.888) 2.165 9.189 ( 4.410 1.635 -10.519) 11.523 9.253 ( 3.554 -4.167 -7.206) 9.051 9.465 ( 0.146 5.533 1.722) 5.797 9.540 ( 0.921 -2.120 3.459) 4.160 9.633 ( 1.531 4.817 3.769) 6.305 9.706 ( -0.412 3.934 -0.968) 4.072 9.726 ( 0.420 -0.854 0.121) 0.960 9.796 ( -0.379 3.793 2.586) 4.606 9.884 ( 4.300 -5.970 -3.089) 7.980 9.941 ( 2.239 -4.283 -3.909) 6.216 10.102 ( 1.209 0.417 0.404) 1.341 10.109 ( 1.176 -0.132 1.897) 2.236 10.253 ( 1.893 0.809 0.331) 2.085 10.272 ( 0.653 -0.558 1.948) 2.129 10.834 ( -0.172 0.655 3.574) 3.638 10.867 ( -1.317 -2.925 2.162) 3.868 11.121 ( -1.028 6.425 -3.030) 7.178 11.218 ( -0.896 -2.673 -5.668) 6.330 11.346 ( -6.919 -0.099 4.406) 8.203 11.368 ( -7.439 -2.088 4.164) 8.777 11.629 ( -1.426 2.941 -4.210) 5.330 11.686 ( 0.800 -2.064 -3.152) 3.851 12.040 ( -0.160 2.239 10.039) 10.287 12.112 ( -0.654 -4.194 6.375) 7.659 12.199 ( 3.647 1.769 -5.284) 6.660 12.234 ( 2.392 -1.281 -5.118) 5.793 13.936 ( 0.848 2.292 0.171) 2.450 13.977 ( 1.070 -1.335 -0.130) 1.716 14.004 ( 1.856 3.456 0.756) 3.995 14.083 ( 3.335 -3.102 1.224) 4.716 14.683 ( -4.008 0.793 0.159) 4.088 14.708 ( -4.014 -1.320 -3.447) 5.454 14.815 ( -2.909 1.034 0.588) 3.143 14.833 ( -2.722 -0.425 -0.905) 2.900 15.824 ( -1.104 1.880 5.238) 5.674 15.879 ( 0.758 -3.083 3.215) 4.518 15.980 ( 3.828 1.457 -1.875) 4.505 16.007 ( 4.595 -0.741 -3.012) 5.544 18.700 ( 2.663 3.106 0.905) 4.191 18.732 ( 3.557 2.419 -0.917) 4.398 18.856 ( 9.807 0.588 3.237) 10.345 18.934 ( 12.034 -4.205 -1.959) 12.897 20.453 ( -1.193 0.771 -0.127) 1.426 20.472 ( -1.419 -0.896 -0.755) 1.840 20.563 ( 0.373 0.554 -0.253) 0.715 20.579 ( 0.800 -0.837 -0.580) 1.295 20.791 ( -6.544 3.239 -1.930) 7.552 20.860 ( -5.471 -2.625 0.881) 6.132 20.996 ( -0.853 0.946 -2.992) 3.251 21.025 ( -1.823 -1.035 -3.142) 3.777 21.138 ( -2.287 1.399 3.643) 4.524 21.184 ( -2.045 -2.333 1.839) 3.607 21.201 ( -2.212 2.169 -0.996) 3.255 21.247 ( -2.748 -1.719 2.273) 3.959 21.465 ( -0.339 0.031 -0.820) 0.888 21.474 ( -0.362 -0.757 -0.133) 0.849 21.496 ( -0.324 0.555 1.634) 1.756 21.518 ( -0.963 -1.305 1.722) 2.365 21.644 ( -0.546 1.262 -3.396) 3.663 21.679 ( -0.766 -1.713 -3.893) 4.322 21.902 ( -1.608 2.503 1.059) 3.158 21.925 ( -2.928 0.005 1.312) 3.208 22.046 ( -0.383 3.975 8.095) 9.026 22.160 ( 2.763 -5.478 0.597) 6.164 22.432 ( 4.894 0.563 -4.466) 6.650 22.455 ( 5.759 -0.954 -1.837) 6.120 ======================= Grid point 66 (42/42) ======================= q-point: (-0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -9.352 13.334 14.771) 21.987 1.079 ( -5.847 22.668 7.983) 24.733 1.294 ( -7.506 -13.503 9.181) 17.971 1.528 ( -8.995 -9.626 2.173) 13.353 1.558 ( -10.215 5.005 3.264) 11.834 1.842 ( -12.559 0.566 6.456) 14.133 1.881 ( -0.982 -6.669 0.591) 6.767 1.928 ( -12.023 -10.620 2.010) 16.167 2.070 ( -8.374 3.465 -9.791) 13.341 2.095 ( -9.721 2.281 -1.922) 10.169 2.183 ( -9.130 2.834 3.971) 10.352 2.234 ( -8.373 2.829 4.308) 9.832 2.292 ( -6.857 -4.358 2.744) 8.576 2.385 ( -2.600 -2.310 0.915) 3.596 2.498 ( -7.206 1.757 2.689) 7.890 2.545 ( -0.398 3.955 -0.823) 4.059 2.606 ( -0.256 -0.663 1.911) 2.039 2.635 ( -1.709 -2.395 2.657) 3.964 2.747 ( 3.190 -2.097 3.829) 5.407 2.758 ( -2.160 -6.035 2.062) 6.734 2.809 ( -1.419 -0.785 3.469) 3.829 2.870 ( 2.185 0.463 -1.117) 2.498 2.885 ( 0.180 -2.235 0.311) 2.263 2.932 ( 4.129 -3.003 1.079) 5.218 3.016 ( -1.113 8.011 2.323) 8.415 3.032 ( -2.379 2.498 -1.395) 3.721 3.064 ( 2.810 2.147 -1.358) 3.788 3.066 ( -1.835 1.839 0.053) 2.598 3.134 ( 1.537 1.259 -2.223) 2.981 3.168 ( -1.969 -2.098 3.685) 4.676 3.217 ( 2.773 1.194 -3.086) 4.317 3.247 ( -0.670 -2.755 -1.123) 3.050 3.289 ( -0.652 -5.090 -1.579) 5.369 3.331 ( -3.375 3.208 -0.841) 4.732 3.335 ( 1.564 -2.920 0.457) 3.344 3.390 ( -3.695 -1.412 -1.445) 4.211 3.447 ( -2.722 1.388 0.516) 3.099 3.449 ( -0.529 2.323 -1.833) 3.006 3.538 ( 1.428 1.766 -2.829) 3.628 3.567 ( 0.680 -0.584 0.524) 1.038 3.590 ( -1.702 -0.419 -1.031) 2.033 3.644 ( -2.040 -0.171 -1.788) 2.718 3.679 ( 2.381 -1.678 -2.431) 3.794 3.696 ( 1.629 -0.346 0.430) 1.720 3.787 ( 0.784 1.320 1.017) 1.842 3.794 ( 2.111 1.848 3.127) 4.201 3.823 ( 0.484 0.438 2.512) 2.596 3.846 ( 3.281 0.983 -1.749) 3.846 3.936 ( 3.419 3.769 -2.706) 5.764 3.972 ( 1.400 0.270 -0.839) 1.654 4.002 ( 1.005 4.479 5.028) 6.808 4.050 ( 0.048 0.620 -3.426) 3.481 4.098 ( 0.493 -3.683 0.721) 3.786 4.168 ( 2.720 -4.667 -3.086) 6.221 4.190 ( -1.652 -2.073 -1.296) 2.951 4.234 ( -0.850 -4.164 -3.853) 5.737 4.346 ( 2.712 1.570 -0.639) 3.198 4.362 ( 4.025 0.227 0.318) 4.044 4.383 ( 1.359 3.429 -1.597) 4.019 4.447 ( 2.227 -1.115 -2.476) 3.512 4.487 ( 0.797 1.803 1.113) 2.264 4.516 ( 3.826 -1.632 1.825) 4.542 4.609 ( 2.399 1.746 0.740) 3.058 4.632 ( 1.526 -0.946 0.458) 1.853 4.718 ( 0.564 0.753 -1.334) 1.633 4.727 ( 2.989 2.319 0.756) 3.858 4.738 ( -1.383 3.726 -2.458) 4.673 4.811 ( 3.470 -1.106 1.416) 3.907 4.832 ( 1.937 2.279 2.538) 3.923 4.848 ( -0.247 0.185 2.241) 2.262 4.891 ( 0.645 -1.464 -1.341) 2.088 4.910 ( 0.264 -4.613 -0.048) 4.621 5.010 ( -2.270 6.004 -3.871) 7.496 5.105 ( 0.872 2.347 -3.552) 4.345 5.144 ( -2.126 1.789 1.214) 3.032 5.173 ( -0.503 -1.170 1.212) 1.758 5.182 ( 2.044 -4.295 -1.317) 4.935 5.218 ( 3.091 -2.891 -0.227) 4.239 5.241 ( 1.978 -0.369 1.680) 2.622 5.309 ( -0.140 -4.742 -1.514) 4.980 5.349 ( 1.111 -0.636 0.632) 1.428 5.357 ( 0.664 -0.557 0.758) 1.152 5.486 ( -0.568 0.652 -0.978) 1.306 5.501 ( 0.297 -0.691 -1.040) 1.284 5.571 ( -0.460 3.754 0.867) 3.880 5.626 ( -0.927 -0.463 1.272) 1.641 5.755 ( 1.550 0.277 -3.889) 4.196 5.773 ( -0.887 -0.890 -7.161) 7.270 5.894 ( 2.232 0.620 0.096) 2.318 5.931 ( 1.444 -2.398 0.154) 2.803 6.020 ( 2.323 2.723 -0.619) 3.633 6.024 ( 1.876 2.073 -2.174) 3.541 6.290 ( 0.936 1.322 1.144) 1.983 6.325 ( 1.955 -2.055 1.799) 3.359 6.398 ( -0.286 0.979 0.749) 1.265 6.417 ( -3.250 -1.390 0.383) 3.555 6.912 ( -0.317 1.470 2.473) 2.894 6.963 ( 1.393 -0.094 -0.828) 1.624 6.977 ( 1.497 0.862 -0.817) 1.911 7.069 ( 1.693 -4.328 -4.534) 6.493 7.432 ( 1.030 0.801 3.177) 3.434 7.452 ( 1.047 -0.828 2.692) 3.005 7.562 ( 2.132 2.782 -2.468) 4.287 7.604 ( 1.396 -1.098 -3.050) 3.529 7.877 ( -0.193 -0.041 1.020) 1.038 7.888 ( 1.007 -0.901 1.900) 2.331 7.936 ( -1.470 1.379 -2.122) 2.927 7.963 ( -0.903 -1.048 -2.642) 2.982 8.820 ( -2.970 0.080 9.737) 10.180 8.848 ( -3.719 -2.093 10.287) 11.138 8.996 ( -1.922 3.827 1.319) 4.481 9.048 ( 0.605 -1.767 -1.439) 2.358 9.133 ( 1.436 1.386 -1.010) 2.236 9.172 ( 0.937 -2.264 -0.395) 2.481 9.216 ( 5.363 0.863 -10.153) 11.514 9.260 ( 2.555 -2.850 -8.357) 9.191 9.496 ( 0.889 6.833 3.105) 7.558 9.578 ( 0.085 -1.150 3.624) 3.803 9.681 ( 0.763 4.010 0.294) 4.092 9.715 ( 2.500 1.274 0.063) 2.807 9.734 ( 1.335 3.827 -1.900) 4.477 9.814 ( -0.241 3.250 3.512) 4.791 9.923 ( 0.903 -8.367 -3.088) 8.965 9.947 ( 0.589 -7.169 -0.671) 7.225 10.126 ( 1.060 1.500 1.218) 2.204 10.165 ( 2.077 -1.009 2.551) 3.441 10.284 ( 0.967 1.795 0.757) 2.175 10.345 ( 5.581 -2.866 -2.421) 6.724 10.845 ( 0.157 2.108 0.513) 2.176 10.890 ( 1.016 -1.447 2.488) 3.053 11.071 ( -2.295 5.569 -1.158) 6.134 11.145 ( -2.151 -1.900 -4.575) 5.401 11.253 ( -4.649 1.090 5.754) 7.478 11.299 ( -2.765 -2.503 6.039) 7.098 11.546 ( -2.265 3.164 -7.388) 8.350 11.634 ( -3.011 -4.499 -6.375) 8.364 12.102 ( -1.942 0.425 10.096) 10.290 12.132 ( -2.248 -2.766 6.168) 7.124 12.236 ( 3.675 0.547 -4.917) 6.163 12.243 ( 2.509 -0.151 -5.315) 5.879 13.959 ( 1.510 2.918 0.025) 3.286 14.007 ( 1.360 -0.360 0.974) 1.711 14.052 ( 2.032 4.133 -0.388) 4.622 14.147 ( 2.429 -3.288 -1.541) 4.368 14.608 ( -2.112 0.561 -0.577) 2.260 14.618 ( -2.378 -0.207 0.548) 2.449 14.753 ( -3.762 0.191 0.708) 3.833 14.761 ( -4.131 -0.283 0.656) 4.192 15.843 ( -0.871 2.735 5.122) 5.871 15.913 ( 1.214 -2.881 0.295) 3.141 16.044 ( 3.107 0.066 -0.948) 3.250 16.080 ( 3.880 -2.040 -2.093) 4.858 18.759 ( 2.234 3.594 0.900) 4.326 18.788 ( 2.427 2.502 -0.985) 3.622 19.126 ( 14.126 0.904 1.011) 14.191 19.182 ( 13.333 -2.741 -3.596) 14.079 20.448 ( 0.604 0.444 1.928) 2.069 20.459 ( 0.369 -0.485 1.628) 1.738 20.570 ( 0.812 0.557 -0.293) 1.027 20.583 ( 0.486 -0.566 -0.928) 1.191 20.669 ( -4.324 2.652 -0.833) 5.140 20.741 ( -6.688 -3.521 0.299) 7.564 20.933 ( -4.078 0.243 -3.973) 5.698 20.952 ( -3.980 -1.036 -4.793) 6.316 21.070 ( -4.499 2.646 1.275) 5.373 21.114 ( -5.704 -1.343 2.632) 6.424 21.185 ( -2.137 0.141 2.216) 3.081 21.196 ( 0.357 -0.693 -1.223) 1.451 21.447 ( -0.648 -0.159 -1.075) 1.265 21.454 ( -1.067 -0.664 -1.151) 1.704 21.492 ( -0.828 0.088 0.514) 0.979 21.493 ( -1.209 -0.025 0.759) 1.428 21.652 ( 2.535 1.437 -1.640) 3.344 21.692 ( 2.710 -1.971 -1.694) 3.755 21.818 ( -5.207 3.646 0.566) 6.382 21.861 ( -4.278 -0.648 0.760) 4.393 22.111 ( -0.067 4.716 8.608) 9.815 22.222 ( 2.695 -4.024 -0.291) 4.851 22.500 ( 5.184 -0.168 -4.518) 6.878 22.553 ( 3.324 -4.896 -0.533) 5.941 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/21600 10.0 144.018 114.594 117.795 0.000 30.848 0.000 3/21600 20.0 28.649 24.957 25.588 0.000 3.526 0.000 3/21600 30.0 11.039 9.054 9.808 0.000 1.133 0.000 3/21600 40.0 6.147 4.853 5.412 0.000 0.544 0.000 3/21600 50.0 4.137 3.192 3.623 0.000 0.322 0.000 3/21600 60.0 3.099 2.356 2.709 0.000 0.216 0.000 3/21600 70.0 2.478 1.866 2.167 0.000 0.157 0.000 3/21600 80.0 2.067 1.546 1.812 0.000 0.121 0.000 3/21600 90.0 1.776 1.323 1.562 0.000 0.096 0.000 3/21600 100.0 1.559 1.158 1.377 0.000 0.079 0.000 3/21600 110.0 1.392 1.031 1.235 0.000 0.066 0.000 3/21600 120.0 1.258 0.931 1.121 0.000 0.056 0.000 3/21600 130.0 1.150 0.849 1.028 0.000 0.048 0.000 3/21600 140.0 1.060 0.781 0.951 0.000 0.042 0.000 3/21600 150.0 0.984 0.724 0.886 0.000 0.036 0.000 3/21600 160.0 0.919 0.675 0.829 0.000 0.032 0.000 3/21600 170.0 0.863 0.633 0.781 0.000 0.028 0.000 3/21600 180.0 0.814 0.596 0.738 0.000 0.025 0.000 3/21600 190.0 0.771 0.564 0.700 0.000 0.023 0.000 3/21600 200.0 0.733 0.535 0.666 0.000 0.021 0.000 3/21600 210.0 0.699 0.509 0.635 0.000 0.019 0.000 3/21600 220.0 0.668 0.486 0.607 0.000 0.017 0.000 3/21600 230.0 0.640 0.465 0.582 0.000 0.015 0.000 3/21600 240.0 0.615 0.446 0.559 0.000 0.014 0.000 3/21600 250.0 0.592 0.428 0.538 0.000 0.013 0.000 3/21600 260.0 0.570 0.412 0.519 0.000 0.012 0.000 3/21600 270.0 0.551 0.397 0.501 0.000 0.011 0.000 3/21600 280.0 0.532 0.384 0.484 0.000 0.010 0.000 3/21600 290.0 0.515 0.371 0.469 0.000 0.009 0.000 3/21600 300.0 0.499 0.359 0.454 0.000 0.008 0.000 3/21600 310.0 0.485 0.348 0.440 0.000 0.008 0.000 3/21600 320.0 0.471 0.337 0.428 0.000 0.007 0.000 3/21600 330.0 0.458 0.328 0.416 0.000 0.007 0.000 3/21600 340.0 0.445 0.318 0.404 0.000 0.006 0.000 3/21600 350.0 0.434 0.310 0.393 0.000 0.006 0.000 3/21600 360.0 0.423 0.301 0.383 0.000 0.005 0.000 3/21600 370.0 0.412 0.294 0.374 0.000 0.005 0.000 3/21600 380.0 0.402 0.286 0.365 0.000 0.005 0.000 3/21600 390.0 0.393 0.279 0.356 0.000 0.004 0.000 3/21600 400.0 0.384 0.273 0.348 0.000 0.004 0.000 3/21600 410.0 0.375 0.266 0.340 0.000 0.004 0.000 3/21600 420.0 0.367 0.260 0.332 0.000 0.003 0.000 3/21600 430.0 0.359 0.255 0.325 0.000 0.003 0.000 3/21600 440.0 0.352 0.249 0.318 0.000 0.003 0.000 3/21600 450.0 0.344 0.244 0.311 0.000 0.003 0.000 3/21600 460.0 0.337 0.239 0.305 0.000 0.003 0.000 3/21600 470.0 0.331 0.234 0.299 0.000 0.002 0.000 3/21600 480.0 0.324 0.229 0.293 0.000 0.002 0.000 3/21600 490.0 0.318 0.225 0.287 0.000 0.002 0.000 3/21600 500.0 0.312 0.220 0.282 0.000 0.002 0.000 3/21600 510.0 0.307 0.216 0.277 0.000 0.002 0.000 3/21600 520.0 0.301 0.212 0.272 0.000 0.002 0.000 3/21600 530.0 0.296 0.208 0.267 0.000 0.002 0.000 3/21600 540.0 0.291 0.205 0.262 0.000 0.002 0.000 3/21600 550.0 0.286 0.201 0.258 0.000 0.002 0.000 3/21600 560.0 0.281 0.198 0.253 0.000 0.001 0.000 3/21600 570.0 0.277 0.194 0.249 0.000 0.001 0.000 3/21600 580.0 0.272 0.191 0.245 0.000 0.001 0.000 3/21600 590.0 0.268 0.188 0.241 0.000 0.001 0.000 3/21600 600.0 0.264 0.185 0.237 0.000 0.001 0.000 3/21600 610.0 0.259 0.182 0.234 0.000 0.001 0.000 3/21600 620.0 0.256 0.179 0.230 0.000 0.001 0.000 3/21600 630.0 0.252 0.177 0.227 0.000 0.001 0.000 3/21600 640.0 0.248 0.174 0.223 0.000 0.001 0.000 3/21600 650.0 0.244 0.171 0.220 0.000 0.001 0.000 3/21600 660.0 0.241 0.169 0.217 0.000 0.001 0.000 3/21600 670.0 0.237 0.166 0.214 0.000 0.001 0.000 3/21600 680.0 0.234 0.164 0.211 0.000 0.001 0.000 3/21600 690.0 0.231 0.162 0.208 0.000 0.001 0.000 3/21600 700.0 0.228 0.160 0.205 0.000 0.001 0.000 3/21600 710.0 0.225 0.157 0.202 0.000 0.001 0.000 3/21600 720.0 0.222 0.155 0.199 0.000 0.001 0.000 3/21600 730.0 0.219 0.153 0.197 0.000 0.001 0.000 3/21600 740.0 0.216 0.151 0.194 0.000 0.000 0.000 3/21600 750.0 0.213 0.149 0.192 0.000 0.000 0.000 3/21600 760.0 0.211 0.147 0.189 0.000 0.000 0.000 3/21600 770.0 0.208 0.145 0.187 0.000 0.000 0.000 3/21600 780.0 0.205 0.144 0.185 0.000 0.000 0.000 3/21600 790.0 0.203 0.142 0.182 0.000 0.000 0.000 3/21600 800.0 0.201 0.140 0.180 0.000 0.000 0.000 3/21600 810.0 0.198 0.138 0.178 0.000 0.000 0.000 3/21600 820.0 0.196 0.137 0.176 0.000 0.000 0.000 3/21600 830.0 0.194 0.135 0.174 0.000 0.000 0.000 3/21600 840.0 0.191 0.134 0.172 0.000 0.000 0.000 3/21600 850.0 0.189 0.132 0.170 0.000 0.000 0.000 3/21600 860.0 0.187 0.131 0.168 0.000 0.000 0.000 3/21600 870.0 0.185 0.129 0.166 0.000 0.000 0.000 3/21600 880.0 0.183 0.128 0.164 0.000 0.000 0.000 3/21600 890.0 0.181 0.126 0.162 0.000 0.000 0.000 3/21600 900.0 0.179 0.125 0.161 0.000 0.000 0.000 3/21600 910.0 0.177 0.124 0.159 0.000 0.000 0.000 3/21600 920.0 0.175 0.122 0.157 0.000 0.000 0.000 3/21600 930.0 0.174 0.121 0.156 0.000 0.000 0.000 3/21600 940.0 0.172 0.120 0.154 0.000 0.000 0.000 3/21600 950.0 0.170 0.118 0.152 0.000 0.000 0.000 3/21600 960.0 0.168 0.117 0.151 0.000 0.000 0.000 3/21600 970.0 0.167 0.116 0.149 0.000 0.000 0.000 3/21600 980.0 0.165 0.115 0.148 0.000 0.000 0.000 3/21600 990.0 0.163 0.114 0.146 0.000 0.000 0.000 3/21600 1000.0 0.162 0.113 0.145 0.000 0.000 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m835.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:04:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|