----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:37:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.656440915873516 0.000000000000000 0.000000000000000 b 0.000000000000000 12.707565750000001 0.000000000000000 c -0.126045240424232 0.000000000000000 6.910237188915575 Atomic positions (fractional): *1 Cs 0.86038567726510 0.58270223858377 0.13483010843327 132.905 2 Cs 0.86038567726510 0.91729776141623 0.63483010843327 132.905 3 Cs 0.13961432273490 0.08270223858376 0.36516989156673 132.905 4 Cs 0.13961432273490 0.41729776141624 0.86516989156673 132.905 *5 Ga 0.83275851258607 0.19990385195510 0.01422602970243 69.723 6 Ga 0.16724148741393 0.80009614804490 0.98577397029757 69.723 7 Ga 0.16724148741393 0.69990385195510 0.48577397029757 69.723 *8 Ga 0.63029362717378 0.53767592230047 0.60377515632803 69.723 9 Ga 0.83275851258607 0.30009614804490 0.51422602970243 69.723 *10 Ga 0.51555839511753 0.27511937685962 0.73453334523224 69.723 11 Ga 0.36970637282622 0.03767592230047 0.89622484367197 69.723 12 Ga 0.63029362717378 0.96232407769953 0.10377515632803 69.723 13 Ga 0.51555839511753 0.22488062314038 0.23453334523224 69.723 14 Ga 0.48444160488247 0.72488062314038 0.26546665476776 69.723 15 Ga 0.36970637282622 0.46232407769953 0.39622484367197 69.723 16 Ga 0.48444160488247 0.77511937685962 0.76546665476776 69.723 *17 S 0.35762877234518 0.70737818819376 0.99669277432429 32.065 *18 S 0.45376874015975 0.44873802977674 0.71136439223906 32.065 19 S 0.64237122765482 0.29262181180624 0.00330722567571 32.065 *20 S 0.06151456062729 0.80101919220347 0.26711216891071 32.065 21 S 0.93848543937271 0.30101919220347 0.23288783108929 32.065 22 S 0.06151456062729 0.69898080779653 0.76711216891071 32.065 23 S 0.64237122765482 0.20737818819376 0.50330722567571 32.065 24 S 0.35762877234518 0.79262181180624 0.49669277432429 32.065 *25 S 0.82028769182368 0.03370391247803 0.12868511255107 32.065 26 S 0.82028769182368 0.46629608752197 0.62868511255107 32.065 27 S 0.17971230817632 0.96629608752197 0.87131488744893 32.065 28 S 0.54623125984025 0.55126197022326 0.28863560776094 32.065 29 S 0.45376874015975 0.05126197022326 0.21136439223906 32.065 30 S 0.54623125984025 0.94873802977674 0.78863560776094 32.065 31 S 0.93848543937271 0.19898080779653 0.73288783108929 32.065 *32 S 0.33446928687653 0.19010423631237 0.74483655538607 32.065 33 S 0.33446928687653 0.30989576368763 0.24483655538607 32.065 34 S 0.66553071312347 0.69010423631238 0.75516344461393 32.065 35 S 0.66553071312347 0.80989576368762 0.25516344461393 32.065 36 S 0.17971230817632 0.53370391247803 0.37131488744893 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.656440915873516 0.000000000000000 0.000000000000000 b 0.000000000000000 12.707565750000001 0.000000000000000 c -0.126045240424232 0.000000000000000 6.910237188915575 Atomic positions (fractional): *1 Cs 0.86038567726510 0.58270223858377 0.13483010843327 132.905 > 1 2 Cs 0.86038567726510 0.91729776141623 0.63483010843327 132.905 > 2 3 Cs 0.13961432273490 0.08270223858376 0.36516989156673 132.905 > 3 4 Cs 0.13961432273490 0.41729776141624 0.86516989156673 132.905 > 4 *5 Ga 0.83275851258607 0.19990385195510 0.01422602970243 69.723 > 5 6 Ga 0.16724148741393 0.80009614804490 0.98577397029757 69.723 > 6 7 Ga 0.16724148741393 0.69990385195510 0.48577397029757 69.723 > 7 *8 Ga 0.63029362717378 0.53767592230047 0.60377515632803 69.723 > 8 9 Ga 0.83275851258607 0.30009614804490 0.51422602970243 69.723 > 9 *10 Ga 0.51555839511753 0.27511937685962 0.73453334523224 69.723 > 10 11 Ga 0.36970637282622 0.03767592230047 0.89622484367197 69.723 > 11 12 Ga 0.63029362717378 0.96232407769953 0.10377515632803 69.723 > 12 13 Ga 0.51555839511753 0.22488062314038 0.23453334523224 69.723 > 13 14 Ga 0.48444160488247 0.72488062314038 0.26546665476776 69.723 > 14 15 Ga 0.36970637282622 0.46232407769953 0.39622484367197 69.723 > 15 16 Ga 0.48444160488247 0.77511937685962 0.76546665476776 69.723 > 16 *17 S 0.35762877234518 0.70737818819376 0.99669277432429 32.065 > 17 *18 S 0.45376874015975 0.44873802977674 0.71136439223906 32.065 > 18 19 S 0.64237122765482 0.29262181180624 0.00330722567571 32.065 > 19 *20 S 0.06151456062729 0.80101919220347 0.26711216891071 32.065 > 20 21 S 0.93848543937271 0.30101919220347 0.23288783108929 32.065 > 21 22 S 0.06151456062729 0.69898080779653 0.76711216891071 32.065 > 22 23 S 0.64237122765482 0.20737818819376 0.50330722567571 32.065 > 23 24 S 0.35762877234518 0.79262181180624 0.49669277432429 32.065 > 24 *25 S 0.82028769182368 0.03370391247803 0.12868511255107 32.065 > 25 26 S 0.82028769182368 0.46629608752197 0.62868511255107 32.065 > 26 27 S 0.17971230817632 0.96629608752197 0.87131488744893 32.065 > 27 28 S 0.54623125984025 0.55126197022326 0.28863560776094 32.065 > 28 29 S 0.45376874015975 0.05126197022326 0.21136439223906 32.065 > 29 30 S 0.54623125984025 0.94873802977674 0.78863560776094 32.065 > 30 31 S 0.93848543937271 0.19898080779653 0.73288783108929 32.065 > 31 *32 S 0.33446928687653 0.19010423631237 0.74483655538607 32.065 > 32 33 S 0.33446928687653 0.30989576368763 0.24483655538607 32.065 > 33 34 S 0.66553071312347 0.69010423631238 0.75516344461393 32.065 > 34 35 S 0.66553071312347 0.80989576368762 0.25516344461393 32.065 > 35 36 S 0.17971230817632 0.53370391247803 0.37131488744893 32.065 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.312881831747031 0.000000000000000 0.000000000000000 b 0.000000000000000 12.707565750000001 0.000000000000000 c -0.252090480848464 0.000000000000000 13.820474377831150 Atomic positions (fractional): *1 Cs 0.43019283863255 0.58270223858377 0.06741505421664 132.905 > 1 2 Cs 0.93019283863255 0.58270223858377 0.06741505421664 132.905 > 1 3 Cs 0.43019283863255 0.58270223858377 0.56741505421664 132.905 > 1 4 Cs 0.93019283863255 0.58270223858377 0.56741505421664 132.905 > 1 5 Cs 0.43019283863255 0.91729776141623 0.31741505421664 132.905 > 2 6 Cs 0.93019283863255 0.91729776141623 0.31741505421664 132.905 > 2 7 Cs 0.43019283863255 0.91729776141623 0.81741505421664 132.905 > 2 8 Cs 0.93019283863255 0.91729776141623 0.81741505421664 132.905 > 2 9 Cs 0.06980716136745 0.08270223858376 0.18258494578336 132.905 > 3 10 Cs 0.56980716136745 0.08270223858376 0.18258494578336 132.905 > 3 11 Cs 0.06980716136745 0.08270223858376 0.68258494578336 132.905 > 3 12 Cs 0.56980716136745 0.08270223858376 0.68258494578336 132.905 > 3 13 Cs 0.06980716136745 0.41729776141624 0.43258494578336 132.905 > 4 14 Cs 0.56980716136745 0.41729776141624 0.43258494578336 132.905 > 4 15 Cs 0.06980716136745 0.41729776141624 0.93258494578336 132.905 > 4 16 Cs 0.56980716136745 0.41729776141624 0.93258494578336 132.905 > 4 *17 Ga 0.41637925629304 0.19990385195510 0.00711301485122 69.723 > 5 18 Ga 0.91637925629304 0.19990385195510 0.00711301485122 69.723 > 5 19 Ga 0.41637925629304 0.19990385195510 0.50711301485122 69.723 > 5 20 Ga 0.91637925629304 0.19990385195510 0.50711301485122 69.723 > 5 21 Ga 0.08362074370696 0.80009614804490 0.49288698514878 69.723 > 6 22 Ga 0.58362074370696 0.80009614804490 0.49288698514878 69.723 > 6 23 Ga 0.08362074370696 0.80009614804490 0.99288698514878 69.723 > 6 24 Ga 0.58362074370696 0.80009614804490 0.99288698514878 69.723 > 6 25 Ga 0.08362074370696 0.69990385195510 0.24288698514878 69.723 > 7 26 Ga 0.58362074370696 0.69990385195510 0.24288698514878 69.723 > 7 27 Ga 0.08362074370696 0.69990385195510 0.74288698514878 69.723 > 7 28 Ga 0.58362074370696 0.69990385195510 0.74288698514878 69.723 > 7 *29 Ga 0.31514681358689 0.53767592230047 0.30188757816402 69.723 > 8 30 Ga 0.81514681358689 0.53767592230047 0.30188757816402 69.723 > 8 31 Ga 0.31514681358689 0.53767592230047 0.80188757816402 69.723 > 8 32 Ga 0.81514681358689 0.53767592230047 0.80188757816402 69.723 > 8 33 Ga 0.41637925629304 0.30009614804490 0.25711301485122 69.723 > 9 34 Ga 0.91637925629304 0.30009614804490 0.25711301485122 69.723 > 9 35 Ga 0.41637925629304 0.30009614804490 0.75711301485122 69.723 > 9 36 Ga 0.91637925629304 0.30009614804490 0.75711301485122 69.723 > 9 *37 Ga 0.25777919755877 0.27511937685962 0.36726667261612 69.723 > 10 38 Ga 0.75777919755877 0.27511937685962 0.36726667261612 69.723 > 10 39 Ga 0.25777919755877 0.27511937685962 0.86726667261612 69.723 > 10 40 Ga 0.75777919755877 0.27511937685962 0.86726667261612 69.723 > 10 41 Ga 0.18485318641311 0.03767592230047 0.44811242183598 69.723 > 11 42 Ga 0.68485318641311 0.03767592230047 0.44811242183598 69.723 > 11 43 Ga 0.18485318641311 0.03767592230047 0.94811242183598 69.723 > 11 44 Ga 0.68485318641311 0.03767592230047 0.94811242183598 69.723 > 11 45 Ga 0.31514681358689 0.96232407769953 0.05188757816402 69.723 > 12 46 Ga 0.81514681358689 0.96232407769953 0.05188757816402 69.723 > 12 47 Ga 0.31514681358689 0.96232407769953 0.55188757816402 69.723 > 12 48 Ga 0.81514681358689 0.96232407769953 0.55188757816402 69.723 > 12 49 Ga 0.25777919755877 0.22488062314038 0.11726667261612 69.723 > 13 50 Ga 0.75777919755877 0.22488062314038 0.11726667261612 69.723 > 13 51 Ga 0.25777919755877 0.22488062314038 0.61726667261612 69.723 > 13 52 Ga 0.75777919755877 0.22488062314038 0.61726667261612 69.723 > 13 53 Ga 0.24222080244123 0.72488062314038 0.13273332738388 69.723 > 14 54 Ga 0.74222080244123 0.72488062314038 0.13273332738388 69.723 > 14 55 Ga 0.24222080244123 0.72488062314038 0.63273332738388 69.723 > 14 56 Ga 0.74222080244123 0.72488062314038 0.63273332738388 69.723 > 14 57 Ga 0.18485318641311 0.46232407769953 0.19811242183598 69.723 > 15 58 Ga 0.68485318641311 0.46232407769953 0.19811242183598 69.723 > 15 59 Ga 0.18485318641311 0.46232407769953 0.69811242183598 69.723 > 15 60 Ga 0.68485318641311 0.46232407769953 0.69811242183598 69.723 > 15 61 Ga 0.24222080244123 0.77511937685962 0.38273332738388 69.723 > 16 62 Ga 0.74222080244123 0.77511937685962 0.38273332738388 69.723 > 16 63 Ga 0.24222080244123 0.77511937685962 0.88273332738388 69.723 > 16 64 Ga 0.74222080244123 0.77511937685962 0.88273332738388 69.723 > 16 *65 S 0.17881438617259 0.70737818819376 0.49834638716215 32.065 > 17 66 S 0.67881438617259 0.70737818819376 0.49834638716215 32.065 > 17 67 S 0.17881438617259 0.70737818819376 0.99834638716215 32.065 > 17 68 S 0.67881438617259 0.70737818819376 0.99834638716215 32.065 > 17 *69 S 0.22688437007988 0.44873802977674 0.35568219611953 32.065 > 18 70 S 0.72688437007988 0.44873802977674 0.35568219611953 32.065 > 18 71 S 0.22688437007988 0.44873802977674 0.85568219611953 32.065 > 18 72 S 0.72688437007988 0.44873802977674 0.85568219611953 32.065 > 18 73 S 0.32118561382741 0.29262181180624 0.00165361283785 32.065 > 19 74 S 0.82118561382741 0.29262181180624 0.00165361283785 32.065 > 19 75 S 0.32118561382741 0.29262181180624 0.50165361283785 32.065 > 19 76 S 0.82118561382741 0.29262181180624 0.50165361283785 32.065 > 19 *77 S 0.03075728031365 0.80101919220347 0.13355608445535 32.065 > 20 78 S 0.53075728031365 0.80101919220347 0.13355608445535 32.065 > 20 79 S 0.03075728031365 0.80101919220347 0.63355608445535 32.065 > 20 80 S 0.53075728031365 0.80101919220347 0.63355608445535 32.065 > 20 81 S 0.46924271968635 0.30101919220347 0.11644391554465 32.065 > 21 82 S 0.96924271968635 0.30101919220347 0.11644391554465 32.065 > 21 83 S 0.46924271968635 0.30101919220347 0.61644391554465 32.065 > 21 84 S 0.96924271968635 0.30101919220347 0.61644391554465 32.065 > 21 85 S 0.03075728031365 0.69898080779653 0.38355608445535 32.065 > 22 86 S 0.53075728031365 0.69898080779653 0.38355608445535 32.065 > 22 87 S 0.03075728031365 0.69898080779653 0.88355608445535 32.065 > 22 88 S 0.53075728031365 0.69898080779653 0.88355608445535 32.065 > 22 89 S 0.32118561382741 0.20737818819376 0.25165361283785 32.065 > 23 90 S 0.82118561382741 0.20737818819376 0.25165361283785 32.065 > 23 91 S 0.32118561382741 0.20737818819376 0.75165361283785 32.065 > 23 92 S 0.82118561382741 0.20737818819376 0.75165361283785 32.065 > 23 93 S 0.17881438617259 0.79262181180624 0.24834638716215 32.065 > 24 94 S 0.67881438617259 0.79262181180624 0.24834638716215 32.065 > 24 95 S 0.17881438617259 0.79262181180624 0.74834638716215 32.065 > 24 96 S 0.67881438617259 0.79262181180624 0.74834638716215 32.065 > 24 *97 S 0.41014384591184 0.03370391247803 0.06434255627554 32.065 > 25 98 S 0.91014384591184 0.03370391247803 0.06434255627554 32.065 > 25 99 S 0.41014384591184 0.03370391247803 0.56434255627554 32.065 > 25 100 S 0.91014384591184 0.03370391247803 0.56434255627554 32.065 > 25 101 S 0.41014384591184 0.46629608752197 0.31434255627554 32.065 > 26 102 S 0.91014384591184 0.46629608752197 0.31434255627554 32.065 > 26 103 S 0.41014384591184 0.46629608752197 0.81434255627554 32.065 > 26 104 S 0.91014384591184 0.46629608752197 0.81434255627554 32.065 > 26 105 S 0.08985615408816 0.96629608752197 0.43565744372446 32.065 > 27 106 S 0.58985615408816 0.96629608752197 0.43565744372446 32.065 > 27 107 S 0.08985615408816 0.96629608752197 0.93565744372446 32.065 > 27 108 S 0.58985615408816 0.96629608752197 0.93565744372446 32.065 > 27 109 S 0.27311562992012 0.55126197022326 0.14431780388047 32.065 > 28 110 S 0.77311562992012 0.55126197022326 0.14431780388047 32.065 > 28 111 S 0.27311562992012 0.55126197022326 0.64431780388047 32.065 > 28 112 S 0.77311562992012 0.55126197022326 0.64431780388047 32.065 > 28 113 S 0.22688437007988 0.05126197022326 0.10568219611953 32.065 > 29 114 S 0.72688437007988 0.05126197022326 0.10568219611953 32.065 > 29 115 S 0.22688437007988 0.05126197022326 0.60568219611953 32.065 > 29 116 S 0.72688437007988 0.05126197022326 0.60568219611953 32.065 > 29 117 S 0.27311562992012 0.94873802977674 0.39431780388047 32.065 > 30 118 S 0.77311562992012 0.94873802977674 0.39431780388047 32.065 > 30 119 S 0.27311562992012 0.94873802977674 0.89431780388047 32.065 > 30 120 S 0.77311562992012 0.94873802977674 0.89431780388047 32.065 > 30 121 S 0.46924271968635 0.19898080779653 0.36644391554465 32.065 > 31 122 S 0.96924271968635 0.19898080779653 0.36644391554465 32.065 > 31 123 S 0.46924271968635 0.19898080779653 0.86644391554465 32.065 > 31 124 S 0.96924271968635 0.19898080779653 0.86644391554465 32.065 > 31 *125 S 0.16723464343827 0.19010423631237 0.37241827769304 32.065 > 32 126 S 0.66723464343827 0.19010423631237 0.37241827769304 32.065 > 32 127 S 0.16723464343827 0.19010423631237 0.87241827769304 32.065 > 32 128 S 0.66723464343827 0.19010423631237 0.87241827769304 32.065 > 32 129 S 0.16723464343827 0.30989576368763 0.12241827769304 32.065 > 33 130 S 0.66723464343827 0.30989576368763 0.12241827769304 32.065 > 33 131 S 0.16723464343827 0.30989576368763 0.62241827769304 32.065 > 33 132 S 0.66723464343827 0.30989576368763 0.62241827769304 32.065 > 33 133 S 0.33276535656173 0.69010423631238 0.37758172230696 32.065 > 34 134 S 0.83276535656173 0.69010423631238 0.37758172230696 32.065 > 34 135 S 0.33276535656173 0.69010423631238 0.87758172230696 32.065 > 34 136 S 0.83276535656173 0.69010423631238 0.87758172230696 32.065 > 34 137 S 0.33276535656173 0.80989576368762 0.12758172230696 32.065 > 35 138 S 0.83276535656173 0.80989576368762 0.12758172230696 32.065 > 35 139 S 0.33276535656173 0.80989576368762 0.62758172230696 32.065 > 35 140 S 0.83276535656173 0.80989576368762 0.62758172230696 32.065 > 35 141 S 0.08985615408816 0.53370391247803 0.18565744372446 32.065 > 36 142 S 0.58985615408816 0.53370391247803 0.18565744372446 32.065 > 36 143 S 0.08985615408816 0.53370391247803 0.68565744372446 32.065 > 36 144 S 0.58985615408816 0.53370391247803 0.68565744372446 32.065 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4955740 0.0000000 0.0435393 0.0000000 4.8858394 0.0000000 0.0435377 0.0000000 4.7859181 -------------------------- Born effective charges -------------------------- 1 Cs 1.6949871 0.2477887 0.0532498 0.0279487 1.3743583 -0.0775258 0.0362554 -0.1319841 1.3556776 2 Cs 1.6949871 -0.2477887 0.0532498 -0.0279487 1.3743583 0.0775258 0.0362554 0.1319841 1.3556776 3 Cs 1.6949871 -0.2477887 0.0532498 -0.0279487 1.3743583 0.0775258 0.0362554 0.1319841 1.3556776 4 Cs 1.6949871 0.2477887 0.0532498 0.0279487 1.3743583 -0.0775258 0.0362554 -0.1319841 1.3556776 5 Ga 1.9173034 0.0740557 -0.1727317 0.2087706 2.4575828 -0.2947480 0.0542040 0.3116269 2.8388528 6 Ga 1.9173034 0.0740557 -0.1727317 0.2087706 2.4575828 -0.2947480 0.0542040 0.3116269 2.8388528 7 Ga 1.9173034 -0.0740557 -0.1727317 -0.2087706 2.4575828 0.2947480 0.0542040 -0.3116269 2.8388528 8 Ga 2.1731902 -0.3678193 0.3098865 -0.0480568 2.7172452 -0.1974588 0.2662722 0.4104962 1.8787869 9 Ga 1.9173034 -0.0740557 -0.1727317 -0.2087706 2.4575828 0.2947480 0.0542040 -0.3116269 2.8388528 10 Ga 1.8300873 0.0175076 0.0049289 0.2461734 2.6327571 -0.2993064 -0.2457404 -0.2461201 2.7771490 11 Ga 2.1731902 0.3678193 0.3098865 0.0480568 2.7172452 0.1974588 0.2662722 -0.4104962 1.8787869 12 Ga 2.1731902 0.3678193 0.3098865 0.0480568 2.7172452 0.1974588 0.2662722 -0.4104962 1.8787869 13 Ga 1.8300873 -0.0175076 0.0049289 -0.2461734 2.6327571 0.2993064 -0.2457404 0.2461201 2.7771490 14 Ga 1.8300873 0.0175076 0.0049289 0.2461734 2.6327571 -0.2993064 -0.2457404 -0.2461201 2.7771490 15 Ga 2.1731902 -0.3678193 0.3098865 -0.0480568 2.7172452 -0.1974588 0.2662722 0.4104962 1.8787869 16 Ga 1.8300873 -0.0175076 0.0049289 -0.2461734 2.6327571 0.2993064 -0.2457404 0.2461201 2.7771490 17 S -1.6600636 0.1737631 -0.0405748 0.3259574 -1.0467183 0.1654308 -0.0508527 0.2139953 -2.1644539 18 S -1.3932529 -0.0246624 -0.2196916 -0.2405361 -2.1889637 0.6968169 -0.1662945 0.4903015 -1.5633029 19 S -1.6600636 0.1737631 -0.0405748 0.3259574 -1.0467183 0.1654308 -0.0508527 0.2139953 -2.1644539 20 S -1.4835285 0.1905554 0.1207819 0.1162029 -1.4731828 0.3722810 0.0928052 0.3110569 -2.5670152 21 S -1.4835285 -0.1905554 0.1207819 -0.1162029 -1.4731828 -0.3722810 0.0928052 -0.3110569 -2.5670152 22 S -1.4835285 -0.1905554 0.1207819 -0.1162029 -1.4731828 -0.3722810 0.0928052 -0.3110569 -2.5670152 23 S -1.6600636 -0.1737631 -0.0405748 -0.3259574 -1.0467183 -0.1654308 -0.0508527 -0.2139953 -2.1644539 24 S -1.6600636 -0.1737631 -0.0405748 -0.3259574 -1.0467183 -0.1654308 -0.0508527 -0.2139953 -2.1644539 25 S -1.6773054 -0.5012877 -0.0069481 -0.7065307 -2.1945136 0.2322808 -0.0630457 0.2699215 -1.2894996 26 S -1.6773054 0.5012877 -0.0069481 0.7065307 -2.1945136 -0.2322808 -0.0630457 -0.2699215 -1.2894996 27 S -1.6773054 -0.5012877 -0.0069481 -0.7065307 -2.1945136 0.2322808 -0.0630457 0.2699215 -1.2894996 28 S -1.3932529 -0.0246624 -0.2196916 -0.2405361 -2.1889637 0.6968169 -0.1662945 0.4903015 -1.5633029 29 S -1.3932529 0.0246624 -0.2196916 0.2405361 -2.1889637 -0.6968169 -0.1662945 -0.4903015 -1.5633029 30 S -1.3932529 0.0246624 -0.2196916 0.2405361 -2.1889637 -0.6968169 -0.1662945 -0.4903015 -1.5633029 31 S -1.4835285 0.1905554 0.1207819 0.1162029 -1.4731828 0.3722810 0.0928052 0.3110569 -2.5670152 32 S -1.4014176 -0.3850061 -0.0489010 -0.4124725 -2.2785649 0.3981852 0.0763966 0.4645137 -1.2661947 33 S -1.4014176 0.3850061 -0.0489010 0.4124725 -2.2785649 -0.3981852 0.0763966 -0.4645137 -1.2661947 34 S -1.4014176 0.3850061 -0.0489010 0.4124725 -2.2785649 -0.3981852 0.0763966 -0.4645137 -1.2661947 35 S -1.4014176 -0.3850061 -0.0489010 -0.4124725 -2.2785649 0.3981852 0.0763966 0.4645137 -1.2661947 36 S -1.6773054 0.5012877 -0.0069481 0.7065307 -2.1945136 -0.2322808 -0.0630457 -0.2699215 -1.2894996 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 281), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 233), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 281), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 233), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.009 Solver_block: 200 / 1120 - Time: 1.789 Solver_block: 300 / 1120 - Time: 1.793 Solver_block: 400 / 1120 - Time: 1.804 Solver_block: 500 / 1120 - Time: 1.794 Solver_block: 600 / 1120 - Time: 1.793 Solver_block: 700 / 1120 - Time: 1.803 Solver_block: 800 / 1120 - Time: 1.805 Solver_block: 900 / 1120 - Time: 1.795 Solver_block: 1000 / 1120 - Time: 1.794 Solver_block: 1100 / 1120 - Time: 1.798 Solver_block: 1120 / 1120 - Time: 0.536 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.028 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 281), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 233), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 281), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 233), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 19:39:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:39:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.656440915873516 0.000000000000000 0.000000000000000 b 0.000000000000000 12.707565750000001 0.000000000000000 c -0.126045240424232 0.000000000000000 6.910237188915575 Atomic positions (fractional): 1 Cs 0.86038567726510 0.58270223858377 0.13483010843327 132.905 2 Cs 0.86038567726510 0.91729776141623 0.63483010843327 132.905 3 Cs 0.13961432273490 0.08270223858376 0.36516989156673 132.905 4 Cs 0.13961432273490 0.41729776141624 0.86516989156673 132.905 5 Ga 0.83275851258607 0.19990385195510 0.01422602970243 69.723 6 Ga 0.16724148741393 0.80009614804490 0.98577397029757 69.723 7 Ga 0.16724148741393 0.69990385195510 0.48577397029757 69.723 8 Ga 0.63029362717378 0.53767592230047 0.60377515632803 69.723 9 Ga 0.83275851258607 0.30009614804490 0.51422602970243 69.723 10 Ga 0.51555839511753 0.27511937685962 0.73453334523224 69.723 11 Ga 0.36970637282622 0.03767592230047 0.89622484367197 69.723 12 Ga 0.63029362717378 0.96232407769953 0.10377515632803 69.723 13 Ga 0.51555839511753 0.22488062314038 0.23453334523224 69.723 14 Ga 0.48444160488247 0.72488062314038 0.26546665476776 69.723 15 Ga 0.36970637282622 0.46232407769953 0.39622484367197 69.723 16 Ga 0.48444160488247 0.77511937685962 0.76546665476776 69.723 17 S 0.35762877234518 0.70737818819376 0.99669277432429 32.065 18 S 0.45376874015975 0.44873802977674 0.71136439223906 32.065 19 S 0.64237122765482 0.29262181180624 0.00330722567571 32.065 20 S 0.06151456062729 0.80101919220347 0.26711216891071 32.065 21 S 0.93848543937271 0.30101919220347 0.23288783108929 32.065 22 S 0.06151456062729 0.69898080779653 0.76711216891071 32.065 23 S 0.64237122765482 0.20737818819376 0.50330722567571 32.065 24 S 0.35762877234518 0.79262181180624 0.49669277432429 32.065 25 S 0.82028769182368 0.03370391247803 0.12868511255107 32.065 26 S 0.82028769182368 0.46629608752197 0.62868511255107 32.065 27 S 0.17971230817632 0.96629608752197 0.87131488744893 32.065 28 S 0.54623125984025 0.55126197022326 0.28863560776094 32.065 29 S 0.45376874015975 0.05126197022326 0.21136439223906 32.065 30 S 0.54623125984025 0.94873802977674 0.78863560776094 32.065 31 S 0.93848543937271 0.19898080779653 0.73288783108929 32.065 32 S 0.33446928687653 0.19010423631237 0.74483655538607 32.065 33 S 0.33446928687653 0.30989576368763 0.24483655538607 32.065 34 S 0.66553071312347 0.69010423631238 0.75516344461393 32.065 35 S 0.66553071312347 0.80989576368762 0.25516344461393 32.065 36 S 0.17971230817632 0.53370391247803 0.37131488744893 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.312881831747031 0.000000000000000 0.000000000000000 b 0.000000000000000 12.707565750000001 0.000000000000000 c -0.252090480848464 0.000000000000000 13.820474377831150 Atomic positions (fractional): 1 Cs 0.43019283863255 0.58270223858377 0.06741505421664 132.905 > 1 2 Cs 0.93019283863255 0.58270223858377 0.06741505421664 132.905 > 1 3 Cs 0.43019283863255 0.58270223858377 0.56741505421664 132.905 > 1 4 Cs 0.93019283863255 0.58270223858377 0.56741505421664 132.905 > 1 5 Cs 0.43019283863255 0.91729776141623 0.31741505421664 132.905 > 5 6 Cs 0.93019283863255 0.91729776141623 0.31741505421664 132.905 > 5 7 Cs 0.43019283863255 0.91729776141623 0.81741505421664 132.905 > 5 8 Cs 0.93019283863255 0.91729776141623 0.81741505421664 132.905 > 5 9 Cs 0.06980716136745 0.08270223858376 0.18258494578336 132.905 > 9 10 Cs 0.56980716136745 0.08270223858376 0.18258494578336 132.905 > 9 11 Cs 0.06980716136745 0.08270223858376 0.68258494578336 132.905 > 9 12 Cs 0.56980716136745 0.08270223858376 0.68258494578336 132.905 > 9 13 Cs 0.06980716136745 0.41729776141624 0.43258494578336 132.905 > 13 14 Cs 0.56980716136745 0.41729776141624 0.43258494578336 132.905 > 13 15 Cs 0.06980716136745 0.41729776141624 0.93258494578336 132.905 > 13 16 Cs 0.56980716136745 0.41729776141624 0.93258494578336 132.905 > 13 17 Ga 0.41637925629304 0.19990385195510 0.00711301485122 69.723 > 17 18 Ga 0.91637925629304 0.19990385195510 0.00711301485122 69.723 > 17 19 Ga 0.41637925629304 0.19990385195510 0.50711301485122 69.723 > 17 20 Ga 0.91637925629304 0.19990385195510 0.50711301485122 69.723 > 17 21 Ga 0.08362074370696 0.80009614804490 0.49288698514878 69.723 > 21 22 Ga 0.58362074370696 0.80009614804490 0.49288698514878 69.723 > 21 23 Ga 0.08362074370696 0.80009614804490 0.99288698514878 69.723 > 21 24 Ga 0.58362074370696 0.80009614804490 0.99288698514878 69.723 > 21 25 Ga 0.08362074370696 0.69990385195510 0.24288698514878 69.723 > 25 26 Ga 0.58362074370696 0.69990385195510 0.24288698514878 69.723 > 25 27 Ga 0.08362074370696 0.69990385195510 0.74288698514878 69.723 > 25 28 Ga 0.58362074370696 0.69990385195510 0.74288698514878 69.723 > 25 29 Ga 0.31514681358689 0.53767592230047 0.30188757816402 69.723 > 29 30 Ga 0.81514681358689 0.53767592230047 0.30188757816402 69.723 > 29 31 Ga 0.31514681358689 0.53767592230047 0.80188757816402 69.723 > 29 32 Ga 0.81514681358689 0.53767592230047 0.80188757816402 69.723 > 29 33 Ga 0.41637925629304 0.30009614804490 0.25711301485122 69.723 > 33 34 Ga 0.91637925629304 0.30009614804490 0.25711301485122 69.723 > 33 35 Ga 0.41637925629304 0.30009614804490 0.75711301485122 69.723 > 33 36 Ga 0.91637925629304 0.30009614804490 0.75711301485122 69.723 > 33 37 Ga 0.25777919755877 0.27511937685962 0.36726667261612 69.723 > 37 38 Ga 0.75777919755877 0.27511937685962 0.36726667261612 69.723 > 37 39 Ga 0.25777919755877 0.27511937685962 0.86726667261612 69.723 > 37 40 Ga 0.75777919755877 0.27511937685962 0.86726667261612 69.723 > 37 41 Ga 0.18485318641311 0.03767592230047 0.44811242183598 69.723 > 41 42 Ga 0.68485318641311 0.03767592230047 0.44811242183598 69.723 > 41 43 Ga 0.18485318641311 0.03767592230047 0.94811242183598 69.723 > 41 44 Ga 0.68485318641311 0.03767592230047 0.94811242183598 69.723 > 41 45 Ga 0.31514681358689 0.96232407769953 0.05188757816402 69.723 > 45 46 Ga 0.81514681358689 0.96232407769953 0.05188757816402 69.723 > 45 47 Ga 0.31514681358689 0.96232407769953 0.55188757816402 69.723 > 45 48 Ga 0.81514681358689 0.96232407769953 0.55188757816402 69.723 > 45 49 Ga 0.25777919755877 0.22488062314038 0.11726667261612 69.723 > 49 50 Ga 0.75777919755877 0.22488062314038 0.11726667261612 69.723 > 49 51 Ga 0.25777919755877 0.22488062314038 0.61726667261612 69.723 > 49 52 Ga 0.75777919755877 0.22488062314038 0.61726667261612 69.723 > 49 53 Ga 0.24222080244123 0.72488062314038 0.13273332738388 69.723 > 53 54 Ga 0.74222080244123 0.72488062314038 0.13273332738388 69.723 > 53 55 Ga 0.24222080244123 0.72488062314038 0.63273332738388 69.723 > 53 56 Ga 0.74222080244123 0.72488062314038 0.63273332738388 69.723 > 53 57 Ga 0.18485318641311 0.46232407769953 0.19811242183598 69.723 > 57 58 Ga 0.68485318641311 0.46232407769953 0.19811242183598 69.723 > 57 59 Ga 0.18485318641311 0.46232407769953 0.69811242183598 69.723 > 57 60 Ga 0.68485318641311 0.46232407769953 0.69811242183598 69.723 > 57 61 Ga 0.24222080244123 0.77511937685962 0.38273332738388 69.723 > 61 62 Ga 0.74222080244123 0.77511937685962 0.38273332738388 69.723 > 61 63 Ga 0.24222080244123 0.77511937685962 0.88273332738388 69.723 > 61 64 Ga 0.74222080244123 0.77511937685962 0.88273332738388 69.723 > 61 65 S 0.17881438617259 0.70737818819376 0.49834638716215 32.065 > 65 66 S 0.67881438617259 0.70737818819376 0.49834638716215 32.065 > 65 67 S 0.17881438617259 0.70737818819376 0.99834638716215 32.065 > 65 68 S 0.67881438617259 0.70737818819376 0.99834638716215 32.065 > 65 69 S 0.22688437007988 0.44873802977674 0.35568219611953 32.065 > 69 70 S 0.72688437007988 0.44873802977674 0.35568219611953 32.065 > 69 71 S 0.22688437007988 0.44873802977674 0.85568219611953 32.065 > 69 72 S 0.72688437007988 0.44873802977674 0.85568219611953 32.065 > 69 73 S 0.32118561382741 0.29262181180624 0.00165361283785 32.065 > 73 74 S 0.82118561382741 0.29262181180624 0.00165361283785 32.065 > 73 75 S 0.32118561382741 0.29262181180624 0.50165361283785 32.065 > 73 76 S 0.82118561382741 0.29262181180624 0.50165361283785 32.065 > 73 77 S 0.03075728031365 0.80101919220347 0.13355608445535 32.065 > 77 78 S 0.53075728031365 0.80101919220347 0.13355608445535 32.065 > 77 79 S 0.03075728031365 0.80101919220347 0.63355608445535 32.065 > 77 80 S 0.53075728031365 0.80101919220347 0.63355608445535 32.065 > 77 81 S 0.46924271968635 0.30101919220347 0.11644391554465 32.065 > 81 82 S 0.96924271968635 0.30101919220347 0.11644391554465 32.065 > 81 83 S 0.46924271968635 0.30101919220347 0.61644391554465 32.065 > 81 84 S 0.96924271968635 0.30101919220347 0.61644391554465 32.065 > 81 85 S 0.03075728031365 0.69898080779653 0.38355608445535 32.065 > 85 86 S 0.53075728031365 0.69898080779653 0.38355608445535 32.065 > 85 87 S 0.03075728031365 0.69898080779653 0.88355608445535 32.065 > 85 88 S 0.53075728031365 0.69898080779653 0.88355608445535 32.065 > 85 89 S 0.32118561382741 0.20737818819376 0.25165361283785 32.065 > 89 90 S 0.82118561382741 0.20737818819376 0.25165361283785 32.065 > 89 91 S 0.32118561382741 0.20737818819376 0.75165361283785 32.065 > 89 92 S 0.82118561382741 0.20737818819376 0.75165361283785 32.065 > 89 93 S 0.17881438617259 0.79262181180624 0.24834638716215 32.065 > 93 94 S 0.67881438617259 0.79262181180624 0.24834638716215 32.065 > 93 95 S 0.17881438617259 0.79262181180624 0.74834638716215 32.065 > 93 96 S 0.67881438617259 0.79262181180624 0.74834638716215 32.065 > 93 97 S 0.41014384591184 0.03370391247803 0.06434255627554 32.065 > 97 98 S 0.91014384591184 0.03370391247803 0.06434255627554 32.065 > 97 99 S 0.41014384591184 0.03370391247803 0.56434255627554 32.065 > 97 100 S 0.91014384591184 0.03370391247803 0.56434255627554 32.065 > 97 101 S 0.41014384591184 0.46629608752197 0.31434255627554 32.065 > 101 102 S 0.91014384591184 0.46629608752197 0.31434255627554 32.065 > 101 103 S 0.41014384591184 0.46629608752197 0.81434255627554 32.065 > 101 104 S 0.91014384591184 0.46629608752197 0.81434255627554 32.065 > 101 105 S 0.08985615408816 0.96629608752197 0.43565744372446 32.065 > 105 106 S 0.58985615408816 0.96629608752197 0.43565744372446 32.065 > 105 107 S 0.08985615408816 0.96629608752197 0.93565744372446 32.065 > 105 108 S 0.58985615408816 0.96629608752197 0.93565744372446 32.065 > 105 109 S 0.27311562992012 0.55126197022326 0.14431780388047 32.065 > 109 110 S 0.77311562992012 0.55126197022326 0.14431780388047 32.065 > 109 111 S 0.27311562992012 0.55126197022326 0.64431780388047 32.065 > 109 112 S 0.77311562992012 0.55126197022326 0.64431780388047 32.065 > 109 113 S 0.22688437007988 0.05126197022326 0.10568219611953 32.065 > 113 114 S 0.72688437007988 0.05126197022326 0.10568219611953 32.065 > 113 115 S 0.22688437007988 0.05126197022326 0.60568219611953 32.065 > 113 116 S 0.72688437007988 0.05126197022326 0.60568219611953 32.065 > 113 117 S 0.27311562992012 0.94873802977674 0.39431780388047 32.065 > 117 118 S 0.77311562992012 0.94873802977674 0.39431780388047 32.065 > 117 119 S 0.27311562992012 0.94873802977674 0.89431780388047 32.065 > 117 120 S 0.77311562992012 0.94873802977674 0.89431780388047 32.065 > 117 121 S 0.46924271968635 0.19898080779653 0.36644391554465 32.065 > 121 122 S 0.96924271968635 0.19898080779653 0.36644391554465 32.065 > 121 123 S 0.46924271968635 0.19898080779653 0.86644391554465 32.065 > 121 124 S 0.96924271968635 0.19898080779653 0.86644391554465 32.065 > 121 125 S 0.16723464343827 0.19010423631237 0.37241827769304 32.065 > 125 126 S 0.66723464343827 0.19010423631237 0.37241827769304 32.065 > 125 127 S 0.16723464343827 0.19010423631237 0.87241827769304 32.065 > 125 128 S 0.66723464343827 0.19010423631237 0.87241827769304 32.065 > 125 129 S 0.16723464343827 0.30989576368763 0.12241827769304 32.065 > 129 130 S 0.66723464343827 0.30989576368763 0.12241827769304 32.065 > 129 131 S 0.16723464343827 0.30989576368763 0.62241827769304 32.065 > 129 132 S 0.66723464343827 0.30989576368763 0.62241827769304 32.065 > 129 133 S 0.33276535656173 0.69010423631238 0.37758172230696 32.065 > 133 134 S 0.83276535656173 0.69010423631238 0.37758172230696 32.065 > 133 135 S 0.33276535656173 0.69010423631238 0.87758172230696 32.065 > 133 136 S 0.83276535656173 0.69010423631238 0.87758172230696 32.065 > 133 137 S 0.33276535656173 0.80989576368762 0.12758172230696 32.065 > 137 138 S 0.83276535656173 0.80989576368762 0.12758172230696 32.065 > 137 139 S 0.33276535656173 0.80989576368762 0.62758172230696 32.065 > 137 140 S 0.83276535656173 0.80989576368762 0.62758172230696 32.065 > 137 141 S 0.08985615408816 0.53370391247803 0.18565744372446 32.065 > 141 142 S 0.58985615408816 0.53370391247803 0.18565744372446 32.065 > 141 143 S 0.08985615408816 0.53370391247803 0.68565744372446 32.065 > 141 144 S 0.58985615408816 0.53370391247803 0.68565744372446 32.065 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4955740 0.0000000 0.0435393 0.0000000 4.8858394 0.0000000 0.0435377 0.0000000 4.7859181 -------------------------- Born effective charges -------------------------- 1 Cs 1.6949871 0.2477887 0.0532498 0.0279487 1.3743583 -0.0775258 0.0362554 -0.1319841 1.3556776 2 Cs 1.6949871 -0.2477887 0.0532498 -0.0279487 1.3743583 0.0775258 0.0362554 0.1319841 1.3556776 3 Cs 1.6949871 -0.2477887 0.0532498 -0.0279487 1.3743583 0.0775258 0.0362554 0.1319841 1.3556776 4 Cs 1.6949871 0.2477887 0.0532498 0.0279487 1.3743583 -0.0775258 0.0362554 -0.1319841 1.3556776 5 Ga 1.9173034 0.0740557 -0.1727317 0.2087706 2.4575828 -0.2947480 0.0542040 0.3116269 2.8388528 6 Ga 1.9173034 0.0740557 -0.1727317 0.2087706 2.4575828 -0.2947480 0.0542040 0.3116269 2.8388528 7 Ga 1.9173034 -0.0740557 -0.1727317 -0.2087706 2.4575828 0.2947480 0.0542040 -0.3116269 2.8388528 8 Ga 2.1731902 -0.3678193 0.3098865 -0.0480568 2.7172452 -0.1974588 0.2662722 0.4104962 1.8787869 9 Ga 1.9173034 -0.0740557 -0.1727317 -0.2087706 2.4575828 0.2947480 0.0542040 -0.3116269 2.8388528 10 Ga 1.8300873 0.0175076 0.0049289 0.2461734 2.6327571 -0.2993064 -0.2457404 -0.2461201 2.7771490 11 Ga 2.1731902 0.3678193 0.3098865 0.0480568 2.7172452 0.1974588 0.2662722 -0.4104962 1.8787869 12 Ga 2.1731902 0.3678193 0.3098865 0.0480568 2.7172452 0.1974588 0.2662722 -0.4104962 1.8787869 13 Ga 1.8300873 -0.0175076 0.0049289 -0.2461734 2.6327571 0.2993064 -0.2457404 0.2461201 2.7771490 14 Ga 1.8300873 0.0175076 0.0049289 0.2461734 2.6327571 -0.2993064 -0.2457404 -0.2461201 2.7771490 15 Ga 2.1731902 -0.3678193 0.3098865 -0.0480568 2.7172452 -0.1974588 0.2662722 0.4104962 1.8787869 16 Ga 1.8300873 -0.0175076 0.0049289 -0.2461734 2.6327571 0.2993064 -0.2457404 0.2461201 2.7771490 17 S -1.6600636 0.1737631 -0.0405748 0.3259574 -1.0467183 0.1654308 -0.0508527 0.2139953 -2.1644539 18 S -1.3932529 -0.0246624 -0.2196916 -0.2405361 -2.1889637 0.6968169 -0.1662945 0.4903015 -1.5633029 19 S -1.6600636 0.1737631 -0.0405748 0.3259574 -1.0467183 0.1654308 -0.0508527 0.2139953 -2.1644539 20 S -1.4835285 0.1905554 0.1207819 0.1162029 -1.4731828 0.3722810 0.0928052 0.3110569 -2.5670152 21 S -1.4835285 -0.1905554 0.1207819 -0.1162029 -1.4731828 -0.3722810 0.0928052 -0.3110569 -2.5670152 22 S -1.4835285 -0.1905554 0.1207819 -0.1162029 -1.4731828 -0.3722810 0.0928052 -0.3110569 -2.5670152 23 S -1.6600636 -0.1737631 -0.0405748 -0.3259574 -1.0467183 -0.1654308 -0.0508527 -0.2139953 -2.1644539 24 S -1.6600636 -0.1737631 -0.0405748 -0.3259574 -1.0467183 -0.1654308 -0.0508527 -0.2139953 -2.1644539 25 S -1.6773054 -0.5012877 -0.0069481 -0.7065307 -2.1945136 0.2322808 -0.0630457 0.2699215 -1.2894996 26 S -1.6773054 0.5012877 -0.0069481 0.7065307 -2.1945136 -0.2322808 -0.0630457 -0.2699215 -1.2894996 27 S -1.6773054 -0.5012877 -0.0069481 -0.7065307 -2.1945136 0.2322808 -0.0630457 0.2699215 -1.2894996 28 S -1.3932529 -0.0246624 -0.2196916 -0.2405361 -2.1889637 0.6968169 -0.1662945 0.4903015 -1.5633029 29 S -1.3932529 0.0246624 -0.2196916 0.2405361 -2.1889637 -0.6968169 -0.1662945 -0.4903015 -1.5633029 30 S -1.3932529 0.0246624 -0.2196916 0.2405361 -2.1889637 -0.6968169 -0.1662945 -0.4903015 -1.5633029 31 S -1.4835285 0.1905554 0.1207819 0.1162029 -1.4731828 0.3722810 0.0928052 0.3110569 -2.5670152 32 S -1.4014176 -0.3850061 -0.0489010 -0.4124725 -2.2785649 0.3981852 0.0763966 0.4645137 -1.2661947 33 S -1.4014176 0.3850061 -0.0489010 0.4124725 -2.2785649 -0.3981852 0.0763966 -0.4645137 -1.2661947 34 S -1.4014176 0.3850061 -0.0489010 0.4124725 -2.2785649 -0.3981852 0.0763966 -0.4645137 -1.2661947 35 S -1.4014176 -0.3850061 -0.0489010 -0.4124725 -2.2785649 0.3981852 0.0763966 0.4645137 -1.2661947 36 S -1.6773054 0.5012877 -0.0069481 0.7065307 -2.1945136 -0.2322808 -0.0630457 -0.2699215 -1.2894996 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 37, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 125, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:40:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:40:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.656440915873516 0.000000000000000 0.000000000000000 b 0.000000000000000 12.707565750000001 0.000000000000000 c -0.126045240424232 0.000000000000000 6.910237188915575 Atomic positions (fractional): 1 Cs 0.86038567726510 0.58270223858377 0.13483010843327 132.905 2 Cs 0.86038567726510 0.91729776141623 0.63483010843327 132.905 3 Cs 0.13961432273490 0.08270223858376 0.36516989156673 132.905 4 Cs 0.13961432273490 0.41729776141624 0.86516989156673 132.905 5 Ga 0.83275851258607 0.19990385195510 0.01422602970243 69.723 6 Ga 0.16724148741393 0.80009614804490 0.98577397029757 69.723 7 Ga 0.16724148741393 0.69990385195510 0.48577397029757 69.723 8 Ga 0.63029362717378 0.53767592230047 0.60377515632803 69.723 9 Ga 0.83275851258607 0.30009614804490 0.51422602970243 69.723 10 Ga 0.51555839511753 0.27511937685962 0.73453334523224 69.723 11 Ga 0.36970637282622 0.03767592230047 0.89622484367197 69.723 12 Ga 0.63029362717378 0.96232407769953 0.10377515632803 69.723 13 Ga 0.51555839511753 0.22488062314038 0.23453334523224 69.723 14 Ga 0.48444160488247 0.72488062314038 0.26546665476776 69.723 15 Ga 0.36970637282622 0.46232407769953 0.39622484367197 69.723 16 Ga 0.48444160488247 0.77511937685962 0.76546665476776 69.723 17 S 0.35762877234518 0.70737818819376 0.99669277432429 32.065 18 S 0.45376874015975 0.44873802977674 0.71136439223906 32.065 19 S 0.64237122765482 0.29262181180624 0.00330722567571 32.065 20 S 0.06151456062729 0.80101919220347 0.26711216891071 32.065 21 S 0.93848543937271 0.30101919220347 0.23288783108929 32.065 22 S 0.06151456062729 0.69898080779653 0.76711216891071 32.065 23 S 0.64237122765482 0.20737818819376 0.50330722567571 32.065 24 S 0.35762877234518 0.79262181180624 0.49669277432429 32.065 25 S 0.82028769182368 0.03370391247803 0.12868511255107 32.065 26 S 0.82028769182368 0.46629608752197 0.62868511255107 32.065 27 S 0.17971230817632 0.96629608752197 0.87131488744893 32.065 28 S 0.54623125984025 0.55126197022326 0.28863560776094 32.065 29 S 0.45376874015975 0.05126197022326 0.21136439223906 32.065 30 S 0.54623125984025 0.94873802977674 0.78863560776094 32.065 31 S 0.93848543937271 0.19898080779653 0.73288783108929 32.065 32 S 0.33446928687653 0.19010423631237 0.74483655538607 32.065 33 S 0.33446928687653 0.30989576368763 0.24483655538607 32.065 34 S 0.66553071312347 0.69010423631238 0.75516344461393 32.065 35 S 0.66553071312347 0.80989576368762 0.25516344461393 32.065 36 S 0.17971230817632 0.53370391247803 0.37131488744893 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.312881831747031 0.000000000000000 0.000000000000000 b 0.000000000000000 12.707565750000001 0.000000000000000 c -0.252090480848464 0.000000000000000 13.820474377831150 Atomic positions (fractional): 1 Cs 0.43019283863255 0.58270223858377 0.06741505421664 132.905 > 1 2 Cs 0.93019283863255 0.58270223858377 0.06741505421664 132.905 > 1 3 Cs 0.43019283863255 0.58270223858377 0.56741505421664 132.905 > 1 4 Cs 0.93019283863255 0.58270223858377 0.56741505421664 132.905 > 1 5 Cs 0.43019283863255 0.91729776141623 0.31741505421664 132.905 > 5 6 Cs 0.93019283863255 0.91729776141623 0.31741505421664 132.905 > 5 7 Cs 0.43019283863255 0.91729776141623 0.81741505421664 132.905 > 5 8 Cs 0.93019283863255 0.91729776141623 0.81741505421664 132.905 > 5 9 Cs 0.06980716136745 0.08270223858376 0.18258494578336 132.905 > 9 10 Cs 0.56980716136745 0.08270223858376 0.18258494578336 132.905 > 9 11 Cs 0.06980716136745 0.08270223858376 0.68258494578336 132.905 > 9 12 Cs 0.56980716136745 0.08270223858376 0.68258494578336 132.905 > 9 13 Cs 0.06980716136745 0.41729776141624 0.43258494578336 132.905 > 13 14 Cs 0.56980716136745 0.41729776141624 0.43258494578336 132.905 > 13 15 Cs 0.06980716136745 0.41729776141624 0.93258494578336 132.905 > 13 16 Cs 0.56980716136745 0.41729776141624 0.93258494578336 132.905 > 13 17 Ga 0.41637925629304 0.19990385195510 0.00711301485122 69.723 > 17 18 Ga 0.91637925629304 0.19990385195510 0.00711301485122 69.723 > 17 19 Ga 0.41637925629304 0.19990385195510 0.50711301485122 69.723 > 17 20 Ga 0.91637925629304 0.19990385195510 0.50711301485122 69.723 > 17 21 Ga 0.08362074370696 0.80009614804490 0.49288698514878 69.723 > 21 22 Ga 0.58362074370696 0.80009614804490 0.49288698514878 69.723 > 21 23 Ga 0.08362074370696 0.80009614804490 0.99288698514878 69.723 > 21 24 Ga 0.58362074370696 0.80009614804490 0.99288698514878 69.723 > 21 25 Ga 0.08362074370696 0.69990385195510 0.24288698514878 69.723 > 25 26 Ga 0.58362074370696 0.69990385195510 0.24288698514878 69.723 > 25 27 Ga 0.08362074370696 0.69990385195510 0.74288698514878 69.723 > 25 28 Ga 0.58362074370696 0.69990385195510 0.74288698514878 69.723 > 25 29 Ga 0.31514681358689 0.53767592230047 0.30188757816402 69.723 > 29 30 Ga 0.81514681358689 0.53767592230047 0.30188757816402 69.723 > 29 31 Ga 0.31514681358689 0.53767592230047 0.80188757816402 69.723 > 29 32 Ga 0.81514681358689 0.53767592230047 0.80188757816402 69.723 > 29 33 Ga 0.41637925629304 0.30009614804490 0.25711301485122 69.723 > 33 34 Ga 0.91637925629304 0.30009614804490 0.25711301485122 69.723 > 33 35 Ga 0.41637925629304 0.30009614804490 0.75711301485122 69.723 > 33 36 Ga 0.91637925629304 0.30009614804490 0.75711301485122 69.723 > 33 37 Ga 0.25777919755877 0.27511937685962 0.36726667261612 69.723 > 37 38 Ga 0.75777919755877 0.27511937685962 0.36726667261612 69.723 > 37 39 Ga 0.25777919755877 0.27511937685962 0.86726667261612 69.723 > 37 40 Ga 0.75777919755877 0.27511937685962 0.86726667261612 69.723 > 37 41 Ga 0.18485318641311 0.03767592230047 0.44811242183598 69.723 > 41 42 Ga 0.68485318641311 0.03767592230047 0.44811242183598 69.723 > 41 43 Ga 0.18485318641311 0.03767592230047 0.94811242183598 69.723 > 41 44 Ga 0.68485318641311 0.03767592230047 0.94811242183598 69.723 > 41 45 Ga 0.31514681358689 0.96232407769953 0.05188757816402 69.723 > 45 46 Ga 0.81514681358689 0.96232407769953 0.05188757816402 69.723 > 45 47 Ga 0.31514681358689 0.96232407769953 0.55188757816402 69.723 > 45 48 Ga 0.81514681358689 0.96232407769953 0.55188757816402 69.723 > 45 49 Ga 0.25777919755877 0.22488062314038 0.11726667261612 69.723 > 49 50 Ga 0.75777919755877 0.22488062314038 0.11726667261612 69.723 > 49 51 Ga 0.25777919755877 0.22488062314038 0.61726667261612 69.723 > 49 52 Ga 0.75777919755877 0.22488062314038 0.61726667261612 69.723 > 49 53 Ga 0.24222080244123 0.72488062314038 0.13273332738388 69.723 > 53 54 Ga 0.74222080244123 0.72488062314038 0.13273332738388 69.723 > 53 55 Ga 0.24222080244123 0.72488062314038 0.63273332738388 69.723 > 53 56 Ga 0.74222080244123 0.72488062314038 0.63273332738388 69.723 > 53 57 Ga 0.18485318641311 0.46232407769953 0.19811242183598 69.723 > 57 58 Ga 0.68485318641311 0.46232407769953 0.19811242183598 69.723 > 57 59 Ga 0.18485318641311 0.46232407769953 0.69811242183598 69.723 > 57 60 Ga 0.68485318641311 0.46232407769953 0.69811242183598 69.723 > 57 61 Ga 0.24222080244123 0.77511937685962 0.38273332738388 69.723 > 61 62 Ga 0.74222080244123 0.77511937685962 0.38273332738388 69.723 > 61 63 Ga 0.24222080244123 0.77511937685962 0.88273332738388 69.723 > 61 64 Ga 0.74222080244123 0.77511937685962 0.88273332738388 69.723 > 61 65 S 0.17881438617259 0.70737818819376 0.49834638716215 32.065 > 65 66 S 0.67881438617259 0.70737818819376 0.49834638716215 32.065 > 65 67 S 0.17881438617259 0.70737818819376 0.99834638716215 32.065 > 65 68 S 0.67881438617259 0.70737818819376 0.99834638716215 32.065 > 65 69 S 0.22688437007988 0.44873802977674 0.35568219611953 32.065 > 69 70 S 0.72688437007988 0.44873802977674 0.35568219611953 32.065 > 69 71 S 0.22688437007988 0.44873802977674 0.85568219611953 32.065 > 69 72 S 0.72688437007988 0.44873802977674 0.85568219611953 32.065 > 69 73 S 0.32118561382741 0.29262181180624 0.00165361283785 32.065 > 73 74 S 0.82118561382741 0.29262181180624 0.00165361283785 32.065 > 73 75 S 0.32118561382741 0.29262181180624 0.50165361283785 32.065 > 73 76 S 0.82118561382741 0.29262181180624 0.50165361283785 32.065 > 73 77 S 0.03075728031365 0.80101919220347 0.13355608445535 32.065 > 77 78 S 0.53075728031365 0.80101919220347 0.13355608445535 32.065 > 77 79 S 0.03075728031365 0.80101919220347 0.63355608445535 32.065 > 77 80 S 0.53075728031365 0.80101919220347 0.63355608445535 32.065 > 77 81 S 0.46924271968635 0.30101919220347 0.11644391554465 32.065 > 81 82 S 0.96924271968635 0.30101919220347 0.11644391554465 32.065 > 81 83 S 0.46924271968635 0.30101919220347 0.61644391554465 32.065 > 81 84 S 0.96924271968635 0.30101919220347 0.61644391554465 32.065 > 81 85 S 0.03075728031365 0.69898080779653 0.38355608445535 32.065 > 85 86 S 0.53075728031365 0.69898080779653 0.38355608445535 32.065 > 85 87 S 0.03075728031365 0.69898080779653 0.88355608445535 32.065 > 85 88 S 0.53075728031365 0.69898080779653 0.88355608445535 32.065 > 85 89 S 0.32118561382741 0.20737818819376 0.25165361283785 32.065 > 89 90 S 0.82118561382741 0.20737818819376 0.25165361283785 32.065 > 89 91 S 0.32118561382741 0.20737818819376 0.75165361283785 32.065 > 89 92 S 0.82118561382741 0.20737818819376 0.75165361283785 32.065 > 89 93 S 0.17881438617259 0.79262181180624 0.24834638716215 32.065 > 93 94 S 0.67881438617259 0.79262181180624 0.24834638716215 32.065 > 93 95 S 0.17881438617259 0.79262181180624 0.74834638716215 32.065 > 93 96 S 0.67881438617259 0.79262181180624 0.74834638716215 32.065 > 93 97 S 0.41014384591184 0.03370391247803 0.06434255627554 32.065 > 97 98 S 0.91014384591184 0.03370391247803 0.06434255627554 32.065 > 97 99 S 0.41014384591184 0.03370391247803 0.56434255627554 32.065 > 97 100 S 0.91014384591184 0.03370391247803 0.56434255627554 32.065 > 97 101 S 0.41014384591184 0.46629608752197 0.31434255627554 32.065 > 101 102 S 0.91014384591184 0.46629608752197 0.31434255627554 32.065 > 101 103 S 0.41014384591184 0.46629608752197 0.81434255627554 32.065 > 101 104 S 0.91014384591184 0.46629608752197 0.81434255627554 32.065 > 101 105 S 0.08985615408816 0.96629608752197 0.43565744372446 32.065 > 105 106 S 0.58985615408816 0.96629608752197 0.43565744372446 32.065 > 105 107 S 0.08985615408816 0.96629608752197 0.93565744372446 32.065 > 105 108 S 0.58985615408816 0.96629608752197 0.93565744372446 32.065 > 105 109 S 0.27311562992012 0.55126197022326 0.14431780388047 32.065 > 109 110 S 0.77311562992012 0.55126197022326 0.14431780388047 32.065 > 109 111 S 0.27311562992012 0.55126197022326 0.64431780388047 32.065 > 109 112 S 0.77311562992012 0.55126197022326 0.64431780388047 32.065 > 109 113 S 0.22688437007988 0.05126197022326 0.10568219611953 32.065 > 113 114 S 0.72688437007988 0.05126197022326 0.10568219611953 32.065 > 113 115 S 0.22688437007988 0.05126197022326 0.60568219611953 32.065 > 113 116 S 0.72688437007988 0.05126197022326 0.60568219611953 32.065 > 113 117 S 0.27311562992012 0.94873802977674 0.39431780388047 32.065 > 117 118 S 0.77311562992012 0.94873802977674 0.39431780388047 32.065 > 117 119 S 0.27311562992012 0.94873802977674 0.89431780388047 32.065 > 117 120 S 0.77311562992012 0.94873802977674 0.89431780388047 32.065 > 117 121 S 0.46924271968635 0.19898080779653 0.36644391554465 32.065 > 121 122 S 0.96924271968635 0.19898080779653 0.36644391554465 32.065 > 121 123 S 0.46924271968635 0.19898080779653 0.86644391554465 32.065 > 121 124 S 0.96924271968635 0.19898080779653 0.86644391554465 32.065 > 121 125 S 0.16723464343827 0.19010423631237 0.37241827769304 32.065 > 125 126 S 0.66723464343827 0.19010423631237 0.37241827769304 32.065 > 125 127 S 0.16723464343827 0.19010423631237 0.87241827769304 32.065 > 125 128 S 0.66723464343827 0.19010423631237 0.87241827769304 32.065 > 125 129 S 0.16723464343827 0.30989576368763 0.12241827769304 32.065 > 129 130 S 0.66723464343827 0.30989576368763 0.12241827769304 32.065 > 129 131 S 0.16723464343827 0.30989576368763 0.62241827769304 32.065 > 129 132 S 0.66723464343827 0.30989576368763 0.62241827769304 32.065 > 129 133 S 0.33276535656173 0.69010423631238 0.37758172230696 32.065 > 133 134 S 0.83276535656173 0.69010423631238 0.37758172230696 32.065 > 133 135 S 0.33276535656173 0.69010423631238 0.87758172230696 32.065 > 133 136 S 0.83276535656173 0.69010423631238 0.87758172230696 32.065 > 133 137 S 0.33276535656173 0.80989576368762 0.12758172230696 32.065 > 137 138 S 0.83276535656173 0.80989576368762 0.12758172230696 32.065 > 137 139 S 0.33276535656173 0.80989576368762 0.62758172230696 32.065 > 137 140 S 0.83276535656173 0.80989576368762 0.62758172230696 32.065 > 137 141 S 0.08985615408816 0.53370391247803 0.18565744372446 32.065 > 141 142 S 0.58985615408816 0.53370391247803 0.18565744372446 32.065 > 141 143 S 0.08985615408816 0.53370391247803 0.68565744372446 32.065 > 141 144 S 0.58985615408816 0.53370391247803 0.68565744372446 32.065 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4955740 0.0000000 0.0435393 0.0000000 4.8858394 0.0000000 0.0435377 0.0000000 4.7859181 -------------------------- Born effective charges -------------------------- 1 Cs 1.6949871 0.2477887 0.0532498 0.0279487 1.3743583 -0.0775258 0.0362554 -0.1319841 1.3556776 2 Cs 1.6949871 -0.2477887 0.0532498 -0.0279487 1.3743583 0.0775258 0.0362554 0.1319841 1.3556776 3 Cs 1.6949871 -0.2477887 0.0532498 -0.0279487 1.3743583 0.0775258 0.0362554 0.1319841 1.3556776 4 Cs 1.6949871 0.2477887 0.0532498 0.0279487 1.3743583 -0.0775258 0.0362554 -0.1319841 1.3556776 5 Ga 1.9173034 0.0740557 -0.1727317 0.2087706 2.4575828 -0.2947480 0.0542040 0.3116269 2.8388528 6 Ga 1.9173034 0.0740557 -0.1727317 0.2087706 2.4575828 -0.2947480 0.0542040 0.3116269 2.8388528 7 Ga 1.9173034 -0.0740557 -0.1727317 -0.2087706 2.4575828 0.2947480 0.0542040 -0.3116269 2.8388528 8 Ga 2.1731902 -0.3678193 0.3098865 -0.0480568 2.7172452 -0.1974588 0.2662722 0.4104962 1.8787869 9 Ga 1.9173034 -0.0740557 -0.1727317 -0.2087706 2.4575828 0.2947480 0.0542040 -0.3116269 2.8388528 10 Ga 1.8300873 0.0175076 0.0049289 0.2461734 2.6327571 -0.2993064 -0.2457404 -0.2461201 2.7771490 11 Ga 2.1731902 0.3678193 0.3098865 0.0480568 2.7172452 0.1974588 0.2662722 -0.4104962 1.8787869 12 Ga 2.1731902 0.3678193 0.3098865 0.0480568 2.7172452 0.1974588 0.2662722 -0.4104962 1.8787869 13 Ga 1.8300873 -0.0175076 0.0049289 -0.2461734 2.6327571 0.2993064 -0.2457404 0.2461201 2.7771490 14 Ga 1.8300873 0.0175076 0.0049289 0.2461734 2.6327571 -0.2993064 -0.2457404 -0.2461201 2.7771490 15 Ga 2.1731902 -0.3678193 0.3098865 -0.0480568 2.7172452 -0.1974588 0.2662722 0.4104962 1.8787869 16 Ga 1.8300873 -0.0175076 0.0049289 -0.2461734 2.6327571 0.2993064 -0.2457404 0.2461201 2.7771490 17 S -1.6600636 0.1737631 -0.0405748 0.3259574 -1.0467183 0.1654308 -0.0508527 0.2139953 -2.1644539 18 S -1.3932529 -0.0246624 -0.2196916 -0.2405361 -2.1889637 0.6968169 -0.1662945 0.4903015 -1.5633029 19 S -1.6600636 0.1737631 -0.0405748 0.3259574 -1.0467183 0.1654308 -0.0508527 0.2139953 -2.1644539 20 S -1.4835285 0.1905554 0.1207819 0.1162029 -1.4731828 0.3722810 0.0928052 0.3110569 -2.5670152 21 S -1.4835285 -0.1905554 0.1207819 -0.1162029 -1.4731828 -0.3722810 0.0928052 -0.3110569 -2.5670152 22 S -1.4835285 -0.1905554 0.1207819 -0.1162029 -1.4731828 -0.3722810 0.0928052 -0.3110569 -2.5670152 23 S -1.6600636 -0.1737631 -0.0405748 -0.3259574 -1.0467183 -0.1654308 -0.0508527 -0.2139953 -2.1644539 24 S -1.6600636 -0.1737631 -0.0405748 -0.3259574 -1.0467183 -0.1654308 -0.0508527 -0.2139953 -2.1644539 25 S -1.6773054 -0.5012877 -0.0069481 -0.7065307 -2.1945136 0.2322808 -0.0630457 0.2699215 -1.2894996 26 S -1.6773054 0.5012877 -0.0069481 0.7065307 -2.1945136 -0.2322808 -0.0630457 -0.2699215 -1.2894996 27 S -1.6773054 -0.5012877 -0.0069481 -0.7065307 -2.1945136 0.2322808 -0.0630457 0.2699215 -1.2894996 28 S -1.3932529 -0.0246624 -0.2196916 -0.2405361 -2.1889637 0.6968169 -0.1662945 0.4903015 -1.5633029 29 S -1.3932529 0.0246624 -0.2196916 0.2405361 -2.1889637 -0.6968169 -0.1662945 -0.4903015 -1.5633029 30 S -1.3932529 0.0246624 -0.2196916 0.2405361 -2.1889637 -0.6968169 -0.1662945 -0.4903015 -1.5633029 31 S -1.4835285 0.1905554 0.1207819 0.1162029 -1.4731828 0.3722810 0.0928052 0.3110569 -2.5670152 32 S -1.4014176 -0.3850061 -0.0489010 -0.4124725 -2.2785649 0.3981852 0.0763966 0.4645137 -1.2661947 33 S -1.4014176 0.3850061 -0.0489010 0.4124725 -2.2785649 -0.3981852 0.0763966 -0.4645137 -1.2661947 34 S -1.4014176 0.3850061 -0.0489010 0.4124725 -2.2785649 -0.3981852 0.0763966 -0.4645137 -1.2661947 35 S -1.4014176 -0.3850061 -0.0489010 -0.4124725 -2.2785649 0.3981852 0.0763966 0.4645137 -1.2661947 36 S -1.6773054 0.5012877 -0.0069481 0.7065307 -2.1945136 -0.2322808 -0.0630457 -0.2699215 -1.2894996 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (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 ... [ 5 4 7 ] 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: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.866 ( 0.000 0.000 0.000) 0.000 1.101 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.241 ( 0.000 0.000 0.000) 0.000 1.246 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.362 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 8.106 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.521 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.421 ( 0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 9.489 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.766 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.959 ( 0.000 0.000 0.000) 0.000 10.060 ( 0.000 0.000 0.000) 0.000 10.147 ( 0.000 0.000 0.000) 0.000 10.199 ( 0.000 0.000 0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.525 ( 0.000 0.000 0.000) 0.000 10.614 ( 0.000 0.000 0.000) 0.000 10.646 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 10.968 ( 0.000 0.000 0.000) 0.000 11.001 ( 0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 11.271 ( 0.000 0.000 0.000) 0.000 11.461 ( 0.000 0.000 0.000) 0.000 11.474 ( 0.000 0.000 0.000) 0.000 11.664 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 11.995 ( 0.000 0.000 0.000) 0.000 12.094 ( 0.000 0.000 0.000) 0.000 12.252 ( 0.000 0.000 0.000) 0.000 12.371 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 14.453 0.000 4.007) 14.999 0.329 ( 16.790 0.000 -3.060) 17.067 0.495 ( 24.471 0.000 -0.782) 24.484 0.935 ( 6.255 0.000 1.736) 6.491 1.066 ( -3.822 0.000 0.237) 3.829 1.174 ( 1.460 0.000 -0.184) 1.471 1.175 ( -3.163 0.000 1.520) 3.510 1.223 ( -1.582 0.000 -0.526) 1.667 1.228 ( -1.203 0.000 1.711) 2.092 1.275 ( -3.392 0.000 1.284) 3.627 1.280 ( -1.358 0.000 -0.284) 1.387 1.371 ( 2.522 0.000 -1.658) 3.018 1.407 ( -2.454 0.000 0.162) 2.459 1.646 ( 3.160 0.000 -0.572) 3.212 1.669 ( -0.835 0.000 1.809) 1.992 1.824 ( -3.683 0.000 -2.271) 4.327 1.942 ( -1.227 0.000 -2.458) 2.748 1.996 ( -3.269 0.000 1.555) 3.620 2.008 ( 0.664 0.000 4.507) 4.555 2.075 ( 1.891 0.000 -3.769) 4.217 2.104 ( -2.122 0.000 -0.103) 2.125 2.132 ( -0.252 0.000 0.611) 0.661 2.279 ( -0.242 0.000 -0.212) 0.321 2.280 ( -0.598 0.000 -0.856) 1.044 2.337 ( 1.100 0.000 -0.031) 1.101 2.410 ( -0.656 0.000 -0.137) 0.670 2.576 ( 0.165 0.000 -4.557) 4.560 2.646 ( 0.033 0.000 -0.473) 0.475 2.677 ( 1.061 0.000 0.799) 1.328 2.699 ( -0.263 0.000 -1.941) 1.959 2.780 ( 0.534 0.000 0.061) 0.537 2.866 ( 0.150 0.000 -0.502) 0.524 3.001 ( -0.740 0.000 -1.544) 1.712 3.013 ( -0.616 0.000 0.051) 0.618 3.072 ( -0.622 0.000 1.123) 1.283 3.118 ( -0.590 0.000 2.645) 2.710 3.155 ( 0.526 0.000 -0.444) 0.688 3.229 ( 0.160 0.000 -0.225) 0.276 3.287 ( 0.052 0.000 0.065) 0.083 3.390 ( 0.397 0.000 0.090) 0.407 3.463 ( 0.116 0.000 0.022) 0.118 3.491 ( 1.340 0.000 0.283) 1.369 3.591 ( -0.329 0.000 -0.501) 0.600 3.668 ( -0.368 0.000 -0.457) 0.587 3.711 ( 0.048 0.000 0.289) 0.293 3.777 ( -0.081 0.000 -0.656) 0.661 3.982 ( -0.106 0.000 -0.137) 0.173 4.010 ( 0.180 0.000 -0.537) 0.566 4.047 ( -1.315 0.000 0.974) 1.636 4.084 ( -0.292 0.000 -0.048) 0.296 4.287 ( -2.032 0.000 2.629) 3.323 4.351 ( 2.908 0.000 -1.724) 3.381 4.400 ( 1.237 0.000 0.172) 1.249 4.592 ( -0.989 0.000 2.525) 2.712 4.639 ( -1.627 0.000 1.305) 2.086 4.746 ( 0.446 0.000 0.098) 0.457 4.773 ( 0.066 0.000 -0.535) 0.539 4.828 ( -0.597 0.000 0.640) 0.875 5.169 ( 0.409 0.000 -0.053) 0.412 5.621 ( -0.069 0.000 0.077) 0.103 6.739 ( -0.048 0.000 0.173) 0.180 6.782 ( -0.238 0.000 -0.213) 0.319 7.577 ( 0.108 0.000 0.023) 0.110 7.701 ( -0.087 0.000 0.047) 0.099 8.105 ( -0.051 0.000 -0.074) 0.090 8.244 ( -0.109 0.000 -0.100) 0.148 8.377 ( 0.002 0.000 -0.060) 0.060 8.500 ( -0.054 0.000 0.243) 0.249 8.528 ( -0.032 0.000 1.164) 1.165 8.548 ( -0.073 0.000 -0.334) 0.342 8.837 ( 0.102 0.000 1.237) 1.242 8.919 ( 0.201 0.000 -0.128) 0.238 9.092 ( -0.828 0.000 11.712) 11.741 9.163 ( 0.718 0.000 2.672) 2.767 9.184 ( 0.056 0.000 0.178) 0.187 9.408 ( -0.998 0.000 0.499) 1.116 9.443 ( 0.164 0.000 -1.314) 1.325 9.528 ( 0.804 0.000 -2.500) 2.626 9.612 ( -1.323 0.000 0.070) 1.325 9.616 ( -1.073 0.000 -14.197) 14.238 9.768 ( 3.962 0.000 0.312) 3.974 9.785 ( 0.223 0.000 -4.221) 4.227 9.815 ( 1.474 0.000 -1.191) 1.895 9.867 ( -0.105 0.000 1.229) 1.234 9.922 ( -0.619 0.000 1.216) 1.364 9.961 ( 0.216 0.000 1.049) 1.071 10.063 ( 0.275 0.000 -0.215) 0.349 10.151 ( -0.193 0.000 2.741) 2.748 10.196 ( -0.311 0.000 -0.118) 0.333 10.318 ( -0.298 0.000 0.176) 0.346 10.377 ( -0.874 0.000 2.029) 2.209 10.527 ( 0.193 0.000 -0.335) 0.387 10.609 ( -0.428 0.000 0.113) 0.443 10.652 ( 0.506 0.000 0.021) 0.506 10.774 ( 0.685 0.000 -0.366) 0.777 10.940 ( -1.204 0.000 0.150) 1.214 10.975 ( 0.576 0.000 0.115) 0.587 11.001 ( -0.024 0.000 -0.128) 0.130 11.226 ( -0.601 0.000 0.032) 0.602 11.433 ( -1.398 0.000 0.589) 1.517 11.459 ( -1.517 0.000 5.114) 5.334 11.507 ( 1.855 0.000 -0.947) 2.082 11.671 ( 0.640 0.000 -0.662) 0.920 11.995 ( 0.040 0.000 -0.012) 0.041 12.002 ( -3.222 0.000 0.001) 3.222 12.282 ( 2.000 0.000 1.334) 2.404 12.351 ( 0.502 0.000 -5.969) 5.990 12.370 ( -0.110 0.000 -0.071) 0.131 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 7.611 0.000 1.771) 7.814 0.604 ( 11.171 0.000 -2.157) 11.377 0.856 ( 11.468 0.000 -1.131) 11.523 0.953 ( -6.968 0.000 1.215) 7.073 1.013 ( -0.544 0.000 0.239) 0.594 1.157 ( 3.519 0.000 2.879) 4.546 1.192 ( 0.096 0.000 0.198) 0.220 1.206 ( 0.144 0.000 -1.274) 1.282 1.207 ( -0.742 0.000 0.946) 1.202 1.222 ( -1.647 0.000 1.159) 2.014 1.277 ( 1.228 0.000 -0.110) 1.233 1.340 ( -4.068 0.000 -0.306) 4.079 1.428 ( 2.524 0.000 -1.660) 3.021 1.637 ( -1.851 0.000 1.866) 2.628 1.676 ( -4.654 0.000 -2.970) 5.521 1.748 ( 2.151 0.000 0.802) 2.295 1.901 ( -4.605 0.000 -2.058) 5.044 1.946 ( 0.162 0.000 0.645) 0.665 2.040 ( 1.745 0.000 3.432) 3.850 2.074 ( -0.914 0.000 1.097) 1.428 2.088 ( -0.403 0.000 -2.881) 2.909 2.134 ( 0.462 0.000 0.224) 0.513 2.274 ( -0.164 0.000 -0.145) 0.218 2.275 ( -0.010 0.000 -0.530) 0.530 2.351 ( 0.349 0.000 -0.129) 0.372 2.396 ( -0.564 0.000 -0.016) 0.564 2.579 ( 0.216 0.000 -0.770) 0.800 2.645 ( -0.116 0.000 -0.367) 0.384 2.690 ( -0.174 0.000 1.315) 1.327 2.703 ( 0.962 0.000 -1.930) 2.156 2.787 ( 0.113 0.000 0.070) 0.133 2.869 ( 0.094 0.000 -0.247) 0.264 2.988 ( -0.418 0.000 -0.624) 0.752 3.005 ( -0.198 0.000 -0.428) 0.472 3.059 ( -0.553 0.000 0.723) 0.911 3.109 ( -0.261 0.000 0.550) 0.609 3.163 ( 0.261 0.000 -0.284) 0.386 3.231 ( 0.060 0.000 -0.115) 0.130 3.288 ( 0.043 0.000 0.101) 0.110 3.397 ( 0.239 0.000 0.056) 0.245 3.465 ( 0.070 0.000 0.205) 0.216 3.513 ( 0.723 0.000 -0.042) 0.725 3.585 ( -0.208 0.000 -0.269) 0.340 3.661 ( -0.259 0.000 0.059) 0.266 3.712 ( 0.004 0.000 0.169) 0.169 3.776 ( -0.019 0.000 -0.415) 0.415 3.980 ( -0.053 0.000 -0.101) 0.114 4.013 ( 0.142 0.000 -0.372) 0.398 4.026 ( -0.736 0.000 0.563) 0.927 4.081 ( -0.063 0.000 -0.072) 0.095 4.258 ( -0.925 0.000 0.890) 1.284 4.405 ( 2.128 0.000 -1.284) 2.485 4.416 ( 0.394 0.000 0.079) 0.401 4.577 ( -0.498 0.000 0.502) 0.707 4.605 ( -1.525 0.000 1.127) 1.896 4.753 ( 0.206 0.000 0.051) 0.212 4.775 ( 0.125 0.000 -0.465) 0.482 4.816 ( -0.492 0.000 0.529) 0.723 5.177 ( 0.289 0.000 -0.036) 0.292 5.620 ( -0.042 0.000 0.048) 0.064 6.739 ( -0.018 0.000 0.117) 0.118 6.778 ( -0.158 0.000 -0.102) 0.188 7.579 ( 0.068 0.000 0.015) 0.069 7.699 ( -0.056 0.000 0.028) 0.063 8.104 ( -0.031 0.000 -0.046) 0.056 8.243 ( -0.053 0.000 -0.062) 0.082 8.377 ( 0.001 0.000 -0.036) 0.036 8.499 ( -0.032 0.000 0.149) 0.153 8.528 ( -0.013 0.000 0.282) 0.282 8.547 ( -0.048 0.000 -0.204) 0.209 8.840 ( 0.077 0.000 0.230) 0.242 8.922 ( 0.119 0.000 -0.076) 0.141 9.082 ( -0.350 0.000 2.266) 2.293 9.175 ( 0.387 0.000 1.212) 1.272 9.185 ( 0.032 0.000 0.107) 0.111 9.393 ( -0.473 0.000 0.024) 0.474 9.444 ( 0.003 0.000 -0.440) 0.440 9.548 ( 1.239 0.000 -2.905) 3.159 9.587 ( -1.488 0.000 -0.194) 1.501 9.598 ( -0.303 0.000 0.095) 0.317 9.788 ( 0.151 0.000 -1.359) 1.368 9.831 ( 2.289 0.000 -1.247) 2.607 9.842 ( 1.109 0.000 -0.779) 1.355 9.863 ( -0.460 0.000 2.089) 2.139 9.907 ( -0.748 0.000 -0.235) 0.784 9.966 ( 0.208 0.000 0.697) 0.727 10.068 ( 0.216 0.000 -0.139) 0.257 10.149 ( -0.099 0.000 0.489) 0.499 10.190 ( -0.183 0.000 -0.083) 0.201 10.312 ( -0.244 0.000 0.105) 0.265 10.363 ( -0.458 0.000 0.857) 0.971 10.530 ( 0.085 0.000 -0.167) 0.187 10.602 ( -0.265 0.000 0.060) 0.272 10.661 ( 0.313 0.000 0.021) 0.314 10.788 ( 0.566 0.000 -0.262) 0.624 10.917 ( -0.921 0.000 0.122) 0.929 10.985 ( 0.343 0.000 0.065) 0.349 11.001 ( -0.015 0.000 -0.070) 0.072 11.216 ( -0.293 0.000 0.014) 0.293 11.415 ( -0.472 0.000 0.157) 0.497 11.435 ( -0.896 0.000 1.278) 1.560 11.532 ( 0.713 0.000 -0.373) 0.805 11.681 ( 0.352 0.000 -0.414) 0.544 11.953 ( -1.516 0.000 0.001) 1.516 11.996 ( 0.018 0.000 -0.011) 0.022 12.301 ( 0.182 0.000 0.390) 0.431 12.367 ( 0.883 0.000 -1.443) 1.692 12.368 ( -0.062 0.000 -0.042) 0.075 ======================= Grid point 5 (4/54) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 0.000 14.651 0.000) 14.651 0.402 ( 0.000 19.633 0.000) 19.633 0.635 ( 0.000 20.231 0.000) 20.231 0.860 ( 0.000 2.089 0.000) 2.089 1.033 ( 0.000 -4.325 0.000) 4.325 1.152 ( 0.000 -0.158 0.000) 0.158 1.193 ( 0.000 -1.481 0.000) 1.481 1.224 ( 0.000 -1.697 0.000) 1.697 1.251 ( 0.000 -1.454 0.000) 1.454 1.291 ( 0.000 -1.194 0.000) 1.194 1.307 ( 0.000 -0.410 0.000) 0.410 1.418 ( 0.000 -0.581 0.000) 0.581 1.450 ( 0.000 3.055 0.000) 3.055 1.552 ( 0.000 -0.755 0.000) 0.755 1.625 ( 0.000 -4.015 0.000) 4.015 1.798 ( 0.000 -4.279 0.000) 4.279 1.842 ( 0.000 1.085 0.000) 1.085 1.937 ( 0.000 -1.410 0.000) 1.410 1.985 ( 0.000 -7.778 0.000) 7.778 2.010 ( 0.000 -4.603 0.000) 4.603 2.091 ( 0.000 -1.740 0.000) 1.740 2.100 ( 0.000 -2.166 0.000) 2.166 2.220 ( 0.000 0.343 0.000) 0.343 2.269 ( 0.000 1.466 0.000) 1.466 2.359 ( 0.000 3.897 0.000) 3.897 2.428 ( 0.000 -0.027 0.000) 0.027 2.595 ( 0.000 0.784 0.000) 0.784 2.620 ( 0.000 -0.244 0.000) 0.244 2.639 ( 0.000 -2.284 0.000) 2.284 2.700 ( 0.000 -1.756 0.000) 1.756 2.894 ( 0.000 2.385 0.000) 2.385 2.907 ( 0.000 9.074 0.000) 9.074 2.992 ( 0.000 0.918 0.000) 0.918 3.019 ( 0.000 -3.861 0.000) 3.861 3.064 ( 0.000 2.832 0.000) 2.832 3.097 ( 0.000 0.517 0.000) 0.517 3.154 ( 0.000 -4.855 0.000) 4.855 3.229 ( 0.000 3.696 0.000) 3.696 3.290 ( 0.000 -0.333 0.000) 0.333 3.414 ( 0.000 -5.909 0.000) 5.909 3.492 ( 0.000 1.637 0.000) 1.637 3.583 ( 0.000 -4.500 0.000) 4.500 3.593 ( 0.000 1.747 0.000) 1.747 3.652 ( 0.000 10.341 0.000) 10.341 3.678 ( 0.000 -4.910 0.000) 4.910 3.776 ( 0.000 4.251 0.000) 4.251 3.957 ( 0.000 -2.896 0.000) 2.896 4.015 ( 0.000 0.592 0.000) 0.592 4.068 ( 0.000 -1.865 0.000) 1.865 4.179 ( 0.000 6.874 0.000) 6.874 4.223 ( 0.000 -9.072 0.000) 9.072 4.359 ( 0.000 -2.016 0.000) 2.016 4.448 ( 0.000 0.855 0.000) 0.855 4.485 ( 0.000 -4.339 0.000) 4.339 4.676 ( 0.000 1.104 0.000) 1.104 4.728 ( 0.000 -1.157 0.000) 1.157 4.814 ( 0.000 2.055 0.000) 2.055 4.858 ( 0.000 -0.392 0.000) 0.392 5.287 ( 0.000 10.067 0.000) 10.067 5.618 ( 0.000 -4.589 0.000) 4.589 6.745 ( 0.000 0.546 0.000) 0.546 6.777 ( 0.000 -0.726 0.000) 0.726 7.590 ( 0.000 1.460 0.000) 1.460 7.705 ( 0.000 -3.666 0.000) 3.666 8.179 ( 0.000 6.474 0.000) 6.474 8.266 ( 0.000 1.956 0.000) 1.956 8.359 ( 0.000 -1.719 0.000) 1.719 8.455 ( 0.000 -5.476 0.000) 5.476 8.511 ( 0.000 1.052 0.000) 1.052 8.555 ( 0.000 -0.373 0.000) 0.373 8.871 ( 0.000 2.909 0.000) 2.909 8.915 ( 0.000 -0.577 0.000) 0.577 8.982 ( 0.000 1.532 0.000) 1.532 9.140 ( 0.000 -2.164 0.000) 2.164 9.353 ( 0.000 -0.244 0.000) 0.244 9.406 ( 0.000 -1.401 0.000) 1.401 9.486 ( 0.000 -0.246 0.000) 0.246 9.486 ( 0.000 -0.245 0.000) 0.245 9.537 ( 0.000 1.694 0.000) 1.694 9.622 ( 0.000 -1.374 0.000) 1.374 9.759 ( 0.000 -0.676 0.000) 0.676 9.780 ( 0.000 -1.483 0.000) 1.483 9.881 ( 0.000 1.705 0.000) 1.705 9.936 ( 0.000 -0.770 0.000) 0.770 9.937 ( 0.000 1.151 0.000) 1.151 9.978 ( 0.000 0.094 0.000) 0.094 10.164 ( 0.000 1.691 0.000) 1.691 10.213 ( 0.000 2.647 0.000) 2.647 10.257 ( 0.000 -2.118 0.000) 2.118 10.312 ( 0.000 -1.154 0.000) 1.154 10.405 ( 0.000 2.172 0.000) 2.172 10.515 ( 0.000 -1.419 0.000) 1.419 10.615 ( 0.000 0.105 0.000) 0.105 10.633 ( 0.000 -1.052 0.000) 1.052 10.851 ( 0.000 0.302 0.000) 0.302 10.934 ( 0.000 -1.882 0.000) 1.882 11.044 ( 0.000 5.932 0.000) 5.932 11.218 ( 0.000 -0.909 0.000) 0.909 11.221 ( 0.000 -0.531 0.000) 0.531 11.249 ( 0.000 -2.687 0.000) 2.687 11.494 ( 0.000 2.110 0.000) 2.110 11.627 ( 0.000 -3.308 0.000) 3.308 11.805 ( 0.000 1.765 0.000) 1.765 11.893 ( 0.000 -1.501 0.000) 1.501 12.055 ( 0.000 0.470 0.000) 0.470 12.089 ( 0.000 -0.540 0.000) 0.540 12.280 ( 0.000 2.346 0.000) 2.346 12.360 ( 0.000 -1.144 0.000) 1.144 ======================= Grid point 6 (5/54) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 9.812 5.473 1.062) 11.285 0.482 ( 7.987 15.542 4.417) 18.023 0.754 ( 8.852 9.707 -2.042) 13.294 0.933 ( 7.147 2.453 1.717) 7.749 1.049 ( 1.149 -1.662 -0.407) 2.061 1.145 ( -3.995 -2.715 0.007) 4.830 1.154 ( -2.293 0.531 0.785) 2.481 1.192 ( -0.690 0.888 -0.824) 1.394 1.218 ( -1.681 -0.652 0.182) 1.812 1.283 ( -0.764 0.031 -0.788) 1.098 1.327 ( 0.927 -0.832 0.962) 1.574 1.391 ( -2.666 0.203 -0.691) 2.762 1.411 ( -2.225 2.647 0.957) 3.589 1.579 ( 2.464 -1.811 -0.587) 3.113 1.653 ( 1.801 -2.039 1.409) 3.063 1.808 ( 0.516 -7.758 -2.136) 8.063 1.819 ( -3.119 0.813 -0.947) 3.360 1.936 ( 0.337 -0.329 0.472) 0.667 1.996 ( 0.940 -8.447 0.513) 8.515 2.027 ( 0.296 -6.272 0.048) 6.279 2.097 ( 1.239 -1.409 0.115) 1.880 2.122 ( 0.935 -2.794 -1.071) 3.135 2.216 ( -0.349 0.621 -0.379) 0.807 2.270 ( 0.004 1.876 0.627) 1.978 2.358 ( -0.432 3.659 0.836) 3.778 2.421 ( -0.917 0.419 -0.282) 1.047 2.593 ( -0.178 -0.640 -0.175) 0.687 2.630 ( 0.577 -0.256 0.705) 0.946 2.643 ( 0.501 -2.095 -1.249) 2.490 2.697 ( -0.302 -2.073 -0.275) 2.113 2.892 ( -0.102 2.424 -0.400) 2.459 2.906 ( -0.185 7.852 -0.155) 7.856 2.988 ( -0.297 1.612 -0.839) 1.841 3.017 ( -0.041 -3.553 0.436) 3.580 3.060 ( -0.455 2.156 -0.384) 2.237 3.093 ( -0.328 0.750 -0.084) 0.823 3.145 ( -0.492 -4.454 0.009) 4.481 3.236 ( 0.221 3.446 0.284) 3.465 3.294 ( 0.317 -0.153 0.335) 0.486 3.412 ( -0.136 -6.051 -0.014) 6.052 3.501 ( 0.959 2.409 0.859) 2.731 3.579 ( -0.439 4.129 -1.597) 4.449 3.597 ( -0.068 0.169 0.526) 0.557 3.615 ( -1.530 5.059 0.977) 5.374 3.678 ( -0.189 -4.422 -1.382) 4.637 3.778 ( 0.197 4.166 0.197) 4.175 3.956 ( -0.122 -2.690 -0.084) 2.694 4.016 ( 0.132 0.506 -0.428) 0.676 4.066 ( -0.293 -1.856 0.056) 1.880 4.163 ( -1.729 5.933 -0.257) 6.186 4.210 ( -1.193 -7.866 0.789) 7.995 4.360 ( 0.101 -2.352 -1.913) 3.034 4.418 ( -0.590 2.090 -1.431) 2.601 4.477 ( -1.258 -4.567 2.649) 5.428 4.672 ( -0.664 1.803 1.413) 2.385 4.735 ( 0.591 -1.021 0.619) 1.333 4.817 ( 0.254 2.032 -0.607) 2.135 4.845 ( -0.838 0.725 1.025) 1.510 5.287 ( -0.035 9.666 -0.390) 9.674 5.599 ( -1.152 -3.589 -0.041) 3.770 6.745 ( -0.045 0.545 0.137) 0.564 6.775 ( -0.177 -0.673 -0.083) 0.701 7.590 ( 0.047 1.390 0.014) 1.391 7.691 ( -0.881 -2.385 -0.013) 2.543 8.172 ( -0.446 6.446 -0.199) 6.464 8.265 ( -0.114 1.960 -0.174) 1.971 8.357 ( -0.085 -1.791 0.160) 1.800 8.455 ( -0.061 -5.687 -0.023) 5.688 8.510 ( -0.086 1.011 0.017) 1.014 8.555 ( -0.004 -0.465 0.140) 0.486 8.871 ( 0.021 2.780 0.157) 2.784 8.915 ( 0.066 -0.220 -0.336) 0.407 9.011 ( 2.068 -0.990 3.663) 4.321 9.115 ( -2.019 -2.088 -1.498) 3.268 9.343 ( -0.397 2.565 1.363) 2.932 9.411 ( 0.458 -1.361 0.081) 1.438 9.457 ( -0.866 2.841 2.841) 4.110 9.533 ( 2.050 -2.048 0.697) 2.980 9.543 ( 0.627 0.957 -3.856) 4.022 9.635 ( 0.305 -1.413 -2.204) 2.636 9.760 ( 0.334 -0.688 1.206) 1.428 9.785 ( 0.529 -1.966 -0.386) 2.072 9.880 ( -0.399 1.358 0.692) 1.576 9.898 ( -2.871 2.291 -4.093) 5.500 9.941 ( 0.110 1.392 -1.184) 1.831 9.975 ( 0.049 1.070 3.004) 3.189 10.157 ( -1.272 3.178 -0.883) 3.535 10.179 ( -3.146 4.103 1.035) 5.272 10.214 ( -0.611 1.631 0.471) 1.804 10.310 ( -0.239 -1.159 0.203) 1.201 10.396 ( -0.848 2.221 1.038) 2.594 10.516 ( 0.120 -1.524 -0.192) 1.541 10.609 ( -0.540 -0.092 -0.495) 0.739 10.619 ( -0.845 -1.655 0.545) 1.936 10.819 ( -2.054 2.031 -0.150) 2.892 10.917 ( -1.591 -2.063 0.362) 2.630 10.999 ( -2.685 5.918 -0.600) 6.526 11.106 ( -1.217 4.882 -1.112) 5.152 11.211 ( -0.885 -1.253 0.279) 1.559 11.311 ( 0.263 -6.630 1.348) 6.770 11.503 ( 0.542 2.137 0.575) 2.278 11.589 ( -2.965 1.603 0.695) 3.442 11.681 ( -1.436 3.570 0.121) 3.849 11.938 ( -2.138 -5.956 -0.601) 6.357 12.039 ( 0.333 3.403 0.198) 3.425 12.192 ( 3.736 -5.821 -0.390) 6.927 12.329 ( 3.292 0.937 -1.752) 3.845 12.378 ( 1.395 -0.635 -0.806) 1.732 ======================= Grid point 7 (6/54) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 7.620 -6.929 -0.125) 10.300 0.640 ( 6.589 11.176 2.231) 13.164 0.833 ( -1.264 2.976 -0.559) 3.281 1.044 ( -2.690 1.430 -0.299) 3.061 1.068 ( 3.595 -3.544 0.680) 5.094 1.087 ( 2.983 0.198 2.136) 3.675 1.112 ( -0.747 -0.970 -0.483) 1.316 1.168 ( -2.228 -0.734 -0.515) 2.402 1.237 ( 0.756 -0.057 -1.737) 1.895 1.278 ( -3.834 -1.117 1.373) 4.223 1.309 ( 3.361 4.495 0.278) 5.619 1.342 ( -1.801 4.620 0.211) 4.963 1.442 ( 5.110 0.249 -1.582) 5.355 1.563 ( -4.775 -1.289 0.956) 5.038 1.719 ( 3.541 0.428 -1.266) 3.785 1.737 ( -2.549 0.631 0.992) 2.807 1.811 ( -1.004 -6.003 -0.661) 6.122 1.948 ( 0.669 0.541 -0.353) 0.930 2.005 ( -0.562 -11.017 -0.007) 11.031 2.022 ( -0.036 -3.395 0.665) 3.459 2.113 ( 0.328 -1.302 -0.484) 1.427 2.132 ( 0.334 -2.809 -0.362) 2.852 2.211 ( -0.064 0.489 -0.259) 0.557 2.268 ( -0.102 2.520 0.471) 2.566 2.346 ( -0.582 3.929 0.455) 3.998 2.398 ( -1.036 0.268 -0.078) 1.073 2.592 ( 0.024 -0.953 0.173) 0.968 2.638 ( 0.301 -1.781 -0.212) 1.819 2.650 ( 0.123 -1.858 -0.163) 1.869 2.690 ( -0.318 -2.576 -0.291) 2.612 2.891 ( 0.022 1.941 -0.011) 1.941 2.899 ( -0.370 5.944 -0.287) 5.962 2.984 ( -0.031 3.159 -0.568) 3.209 3.022 ( 0.444 -3.710 0.610) 3.786 3.048 ( -0.661 1.662 -0.569) 1.877 3.086 ( -0.359 0.911 -0.068) 0.982 3.143 ( 0.063 -3.759 0.044) 3.760 3.235 ( -0.124 3.531 0.109) 3.535 3.300 ( 0.193 -0.135 0.208) 0.314 3.410 ( -0.052 -6.211 -0.045) 6.211 3.521 ( 0.791 4.138 0.319) 4.225 3.568 ( -0.376 9.676 -0.419) 9.693 3.595 ( 0.138 1.326 -0.914) 1.617 3.608 ( -0.124 -2.248 1.197) 2.550 3.674 ( -0.149 -4.579 -0.560) 4.615 3.782 ( 0.208 3.957 0.115) 3.965 3.954 ( -0.054 -2.470 -0.061) 2.472 4.019 ( 0.150 0.403 -0.323) 0.538 4.058 ( -0.391 -1.526 0.051) 1.577 4.133 ( -0.991 4.584 0.157) 4.692 4.190 ( -0.655 -6.830 0.363) 6.871 4.366 ( 0.425 -3.435 -1.169) 3.653 4.424 ( 0.529 0.276 -0.545) 0.808 4.452 ( -0.976 -4.780 1.031) 4.987 4.658 ( -0.577 3.254 0.864) 3.416 4.745 ( 0.299 -0.875 0.309) 0.975 4.823 ( 0.449 1.819 -1.110) 2.178 4.833 ( -0.577 1.392 1.267) 1.968 5.286 ( -0.043 9.193 -0.160) 9.195 5.586 ( -0.283 -3.775 -0.012) 3.785 6.744 ( -0.019 0.535 0.096) 0.544 6.772 ( -0.118 -0.575 -0.051) 0.590 7.591 ( 0.031 1.280 0.009) 1.280 7.680 ( -0.263 -2.092 0.008) 2.109 8.167 ( -0.106 6.114 -0.064) 6.115 8.263 ( -0.067 1.941 -0.098) 1.944 8.357 ( -0.001 -1.870 0.066) 1.871 8.453 ( -0.068 -5.851 -0.022) 5.851 8.509 ( -0.051 0.967 -0.005) 0.968 8.555 ( -0.005 -0.521 0.051) 0.524 8.872 ( 0.028 2.710 0.044) 2.710 8.917 ( 0.093 -0.211 -0.134) 0.267 9.046 ( 1.481 -2.131 3.330) 4.222 9.080 ( -1.571 -2.453 -2.428) 3.792 9.343 ( 0.115 3.800 0.400) 3.823 9.420 ( 0.364 -1.569 -0.081) 1.612 9.449 ( -0.172 6.040 1.767) 6.295 9.553 ( 0.444 -0.493 -2.674) 2.755 9.562 ( 1.157 -0.824 1.533) 2.090 9.613 ( -1.760 0.677 -1.665) 2.515 9.773 ( 0.605 -1.655 0.142) 1.767 9.795 ( 0.364 -2.485 0.142) 2.515 9.857 ( -0.484 1.429 -2.117) 2.600 9.877 ( -0.475 0.845 1.307) 1.627 9.943 ( 0.075 2.531 -0.610) 2.605 9.980 ( 0.267 1.139 1.197) 1.674 10.130 ( -0.625 4.537 -0.165) 4.583 10.161 ( -0.249 1.121 0.262) 1.178 10.207 ( -0.229 1.915 0.125) 1.933 10.306 ( -0.169 -1.079 0.112) 1.098 10.382 ( -0.511 2.247 0.587) 2.378 10.518 ( 0.053 -1.627 -0.108) 1.631 10.599 ( -0.342 -0.305 -0.086) 0.466 10.612 ( -0.080 -3.246 0.127) 3.250 10.800 ( -0.229 0.919 -0.144) 0.958 10.890 ( -0.915 -2.433 0.132) 2.603 10.977 ( -0.290 3.614 -0.066) 3.626 11.105 ( 0.253 5.317 -0.502) 5.347 11.195 ( -0.564 -2.179 0.211) 2.261 11.303 ( -0.481 -6.800 0.373) 6.827 11.505 ( -0.197 3.031 0.579) 3.092 11.560 ( -0.409 1.740 -0.218) 1.801 11.676 ( 0.096 1.016 -0.216) 1.043 11.900 ( -1.233 -5.362 -0.154) 5.504 12.046 ( 0.212 4.203 0.037) 4.209 12.226 ( 0.607 -5.068 0.019) 5.104 12.373 ( 1.334 0.804 -0.488) 1.633 12.393 ( 0.216 0.659 -0.543) 0.881 ======================= Grid point 10 (7/54) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 -13.713 0.000) 13.713 0.567 ( 0.000 13.713 0.000) 13.713 0.751 ( 0.000 -14.915 0.000) 14.915 0.751 ( 0.000 14.915 0.000) 14.915 1.157 ( 0.000 -1.057 0.000) 1.057 1.157 ( 0.000 1.057 0.000) 1.057 1.184 ( 0.000 -4.600 0.000) 4.600 1.184 ( 0.000 4.600 0.000) 4.600 1.245 ( 0.000 -3.013 0.000) 3.013 1.245 ( 0.000 3.013 0.000) 3.013 1.374 ( 0.000 -5.706 0.000) 5.706 1.374 ( 0.000 5.706 0.000) 5.706 1.519 ( 0.000 -6.533 0.000) 6.533 1.519 ( 0.000 6.533 0.000) 6.533 1.635 ( 0.000 -7.937 0.000) 7.937 1.635 ( 0.000 7.937 0.000) 7.937 1.882 ( 0.000 -2.475 0.000) 2.475 1.882 ( 0.000 2.475 0.000) 2.475 1.934 ( 0.000 -2.213 0.000) 2.213 1.934 ( 0.000 2.213 0.000) 2.213 2.048 ( 0.000 -1.089 0.000) 1.089 2.048 ( 0.000 1.089 0.000) 1.089 2.280 ( 0.000 -1.651 0.000) 1.651 2.280 ( 0.000 1.651 0.000) 1.651 2.419 ( 0.000 -1.540 0.000) 1.540 2.419 ( 0.000 1.540 0.000) 1.540 2.587 ( 0.000 -1.746 0.000) 1.746 2.587 ( 0.000 1.746 0.000) 1.746 2.667 ( 0.000 -1.891 0.000) 1.891 2.667 ( 0.000 1.891 0.000) 1.891 2.927 ( 0.000 -0.688 0.000) 0.688 2.927 ( 0.000 0.688 0.000) 0.688 3.015 ( 0.000 -3.856 0.000) 3.856 3.015 ( 0.000 3.856 0.000) 3.856 3.097 ( 0.000 -1.094 0.000) 1.094 3.097 ( 0.000 1.094 0.000) 1.094 3.217 ( 0.000 -9.290 0.000) 9.290 3.217 ( 0.000 9.290 0.000) 9.290 3.284 ( 0.000 -0.558 0.000) 0.558 3.284 ( 0.000 0.558 0.000) 0.558 3.528 ( 0.000 -1.879 0.000) 1.879 3.528 ( 0.000 1.879 0.000) 1.879 3.620 ( 0.000 -1.697 0.000) 1.697 3.620 ( 0.000 1.697 0.000) 1.697 3.856 ( 0.000 -1.284 0.000) 1.284 3.856 ( 0.000 1.284 0.000) 1.284 3.948 ( 0.000 -11.728 0.000) 11.728 3.948 ( 0.000 11.728 0.000) 11.728 4.039 ( 0.000 -2.193 0.000) 2.193 4.039 ( 0.000 2.193 0.000) 2.193 4.300 ( 0.000 -4.264 0.000) 4.264 4.300 ( 0.000 4.264 0.000) 4.264 4.457 ( 0.000 -0.166 0.000) 0.166 4.457 ( 0.000 0.166 0.000) 0.166 4.702 ( 0.000 -1.419 0.000) 1.419 4.702 ( 0.000 1.419 0.000) 1.419 4.844 ( 0.000 -1.074 0.000) 1.074 4.844 ( 0.000 1.074 0.000) 1.074 5.484 ( 0.000 -8.919 0.000) 8.919 5.484 ( 0.000 8.919 0.000) 8.919 6.760 ( 0.000 -0.908 0.000) 0.908 6.760 ( 0.000 0.908 0.000) 0.908 7.635 ( 0.000 -3.074 0.000) 3.074 7.635 ( 0.000 3.074 0.000) 3.074 8.312 ( 0.000 -0.933 0.000) 0.933 8.312 ( 0.000 0.933 0.000) 0.933 8.326 ( 0.000 -5.811 0.000) 5.811 8.326 ( 0.000 5.811 0.000) 5.811 8.536 ( 0.000 -1.308 0.000) 1.308 8.536 ( 0.000 1.308 0.000) 1.308 8.905 ( 0.000 -0.640 0.000) 0.640 8.905 ( 0.000 0.640 0.000) 0.640 9.058 ( 0.000 -5.360 0.000) 5.360 9.058 ( 0.000 5.360 0.000) 5.360 9.372 ( 0.000 -1.834 0.000) 1.834 9.372 ( 0.000 1.834 0.000) 1.834 9.483 ( 0.000 -0.010 0.000) 0.010 9.483 ( 0.000 0.010 0.000) 0.010 9.582 ( 0.000 -2.525 0.000) 2.525 9.582 ( 0.000 2.525 0.000) 2.525 9.756 ( 0.000 -0.618 0.000) 0.618 9.756 ( 0.000 0.618 0.000) 0.618 9.918 ( 0.000 -1.397 0.000) 1.397 9.918 ( 0.000 1.397 0.000) 1.397 9.962 ( 0.000 -1.346 0.000) 1.346 9.962 ( 0.000 1.346 0.000) 1.346 10.208 ( 0.000 -2.540 0.000) 2.540 10.208 ( 0.000 2.540 0.000) 2.540 10.272 ( 0.000 -2.795 0.000) 2.795 10.272 ( 0.000 2.795 0.000) 2.795 10.464 ( 0.000 -3.337 0.000) 3.337 10.464 ( 0.000 3.337 0.000) 3.337 10.619 ( 0.000 -0.357 0.000) 0.357 10.619 ( 0.000 0.357 0.000) 0.357 10.885 ( 0.000 -2.655 0.000) 2.655 10.885 ( 0.000 2.655 0.000) 2.655 11.164 ( 0.000 -5.638 0.000) 5.638 11.164 ( 0.000 5.638 0.000) 5.638 11.212 ( 0.000 -0.269 0.000) 0.269 11.212 ( 0.000 0.269 0.000) 0.269 11.554 ( 0.000 -3.694 0.000) 3.694 11.554 ( 0.000 3.694 0.000) 3.694 11.850 ( 0.000 -2.529 0.000) 2.529 11.850 ( 0.000 2.529 0.000) 2.529 12.073 ( 0.000 -1.060 0.000) 1.060 12.073 ( 0.000 1.060 0.000) 1.060 12.327 ( 0.000 -2.160 0.000) 2.160 12.327 ( 0.000 2.160 0.000) 2.160 ======================= Grid point 12 (8/54) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 2.629 -14.216 0.846) 14.482 0.600 ( 2.629 14.216 0.846) 14.482 0.790 ( 4.043 -14.123 1.869) 14.808 0.790 ( 4.043 14.123 1.869) 14.808 1.116 ( -1.834 -1.195 0.345) 2.216 1.116 ( -1.834 1.195 0.345) 2.216 1.188 ( -1.378 -1.851 -1.096) 2.554 1.188 ( -1.378 1.851 -1.096) 2.554 1.293 ( 1.488 -0.773 1.094) 2.003 1.293 ( 1.488 0.773 1.094) 2.003 1.355 ( 0.578 -5.885 -0.639) 5.948 1.355 ( 0.578 5.885 -0.639) 5.948 1.515 ( 0.026 -9.518 -0.537) 9.533 1.515 ( 0.026 9.518 -0.537) 9.533 1.650 ( 1.686 -4.617 -0.083) 4.916 1.650 ( 1.686 4.617 -0.083) 4.916 1.859 ( -2.274 -3.423 -0.143) 4.112 1.859 ( -2.274 3.423 -0.143) 4.112 1.950 ( 1.344 -2.182 0.087) 2.565 1.950 ( 1.344 2.182 0.087) 2.565 2.055 ( 0.545 -1.416 -1.433) 2.087 2.055 ( 0.545 1.416 -1.433) 2.087 2.286 ( 0.487 -1.841 0.558) 1.985 2.286 ( 0.487 1.841 0.558) 1.985 2.414 ( -0.613 -1.611 0.776) 1.890 2.414 ( -0.613 1.611 0.776) 1.890 2.586 ( -0.079 -2.032 0.132) 2.038 2.586 ( -0.079 2.032 0.132) 2.038 2.663 ( -0.380 -1.529 -0.210) 1.589 2.663 ( -0.380 1.529 -0.210) 1.589 2.921 ( -0.532 -0.812 -0.011) 0.970 2.921 ( -0.532 0.812 -0.011) 0.970 3.009 ( -0.520 -3.413 -0.774) 3.538 3.009 ( -0.520 3.413 -0.774) 3.538 3.094 ( -0.353 -1.280 0.221) 1.346 3.094 ( -0.353 1.280 0.221) 1.346 3.217 ( 0.155 -9.050 -0.223) 9.054 3.217 ( 0.155 9.050 -0.223) 9.054 3.289 ( 0.383 -0.585 0.236) 0.738 3.289 ( 0.383 0.585 0.236) 0.738 3.542 ( 1.288 -1.929 0.504) 2.374 3.542 ( 1.288 1.929 0.504) 2.374 3.619 ( -0.096 -1.683 -0.765) 1.851 3.619 ( -0.096 1.683 -0.765) 1.851 3.850 ( -0.652 -1.276 0.467) 1.507 3.850 ( -0.652 1.276 0.467) 1.507 3.931 ( -1.252 -9.923 -0.181) 10.004 3.931 ( -1.252 9.923 -0.181) 10.004 4.039 ( -0.029 -1.939 -0.235) 1.954 4.039 ( -0.029 1.939 -0.235) 1.954 4.294 ( -0.748 -4.684 -0.663) 4.790 4.294 ( -0.748 4.684 -0.663) 4.790 4.440 ( -1.314 -0.686 -0.071) 1.484 4.440 ( -1.314 0.686 -0.071) 1.484 4.708 ( 0.478 -1.720 0.993) 2.043 4.708 ( 0.478 1.720 0.993) 2.043 4.843 ( -0.011 -0.783 0.208) 0.810 4.843 ( -0.011 0.783 0.208) 0.810 5.476 ( -0.619 -8.505 -0.204) 8.530 5.476 ( -0.619 8.505 -0.204) 8.530 6.759 ( -0.081 -0.869 0.059) 0.875 6.759 ( -0.081 0.869 0.059) 0.875 7.633 ( -0.180 -2.844 -0.004) 2.849 7.633 ( -0.180 2.844 -0.004) 2.849 8.310 ( -0.181 -3.377 1.830) 3.846 8.310 ( -0.181 3.377 1.830) 3.846 8.322 ( -0.310 -6.582 -2.057) 6.903 8.322 ( -0.310 6.582 -2.057) 6.903 8.535 ( -0.108 -1.336 0.038) 1.341 8.535 ( -0.108 1.336 0.038) 1.341 8.908 ( 0.258 -0.796 -0.114) 0.844 8.908 ( 0.258 0.796 -0.114) 0.844 9.050 ( -0.693 -3.971 0.361) 4.047 9.050 ( -0.693 3.971 0.361) 4.047 9.377 ( 0.456 -1.766 -0.171) 1.832 9.377 ( 0.456 1.766 -0.171) 1.832 9.499 ( 1.534 -1.429 1.440) 2.544 9.499 ( 1.534 1.429 1.440) 2.544 9.588 ( 0.555 -2.993 -1.826) 3.550 9.588 ( 0.555 2.993 -1.826) 3.550 9.756 ( 0.042 -0.739 0.737) 1.044 9.756 ( 0.042 0.739 0.737) 1.044 9.905 ( -1.233 -0.768 -1.445) 2.049 9.905 ( -1.233 0.768 -1.445) 2.049 9.971 ( 0.743 -1.270 1.386) 2.021 9.971 ( 0.743 1.270 1.386) 2.021 10.196 ( -1.113 -1.474 0.461) 1.904 10.196 ( -1.113 1.474 0.461) 1.904 10.269 ( -0.288 -2.915 0.079) 2.930 10.269 ( -0.288 2.915 0.079) 2.930 10.459 ( -0.491 -3.696 0.534) 3.766 10.459 ( -0.491 3.696 0.534) 3.766 10.607 ( -1.055 -0.128 -0.319) 1.110 10.607 ( -1.055 0.128 -0.319) 1.110 10.865 ( -1.848 -2.824 0.210) 3.382 10.865 ( -1.848 2.824 0.210) 3.382 11.131 ( -2.561 -4.745 -1.048) 5.493 11.131 ( -2.561 4.745 -1.048) 5.493 11.202 ( -0.564 -2.454 0.634) 2.596 11.202 ( -0.564 2.454 0.634) 2.596 11.556 ( 0.038 -2.899 0.267) 2.912 11.556 ( 0.038 2.899 0.267) 2.912 11.801 ( -3.042 -7.120 -0.261) 7.747 11.801 ( -3.042 7.120 -0.261) 7.747 12.108 ( 2.134 -3.474 0.089) 4.078 12.108 ( 2.134 3.474 0.089) 4.078 12.356 ( 2.384 -1.453 -0.973) 2.956 12.356 ( 2.384 1.453 -0.973) 2.956 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 1.027 -13.408 0.194) 13.449 0.637 ( 1.027 13.408 0.194) 13.449 0.884 ( 4.551 -11.976 1.519) 12.902 0.884 ( 4.551 11.976 1.519) 12.902 1.081 ( -2.196 -2.928 0.422) 3.684 1.081 ( -2.196 2.928 0.422) 3.684 1.162 ( -0.686 -3.198 -0.570) 3.320 1.162 ( -0.686 3.198 -0.570) 3.320 1.259 ( -1.931 -2.444 -0.348) 3.134 1.259 ( -1.931 2.444 -0.348) 3.134 1.396 ( 1.046 -2.296 -0.156) 2.528 1.396 ( 1.046 2.296 -0.156) 2.528 1.534 ( 1.405 -8.243 0.100) 8.363 1.534 ( 1.405 8.243 0.100) 8.363 1.700 ( 3.206 -2.036 0.534) 3.836 1.700 ( 3.206 2.036 0.534) 3.836 1.806 ( -2.917 -6.019 -0.862) 6.744 1.806 ( -2.917 6.019 -0.862) 6.744 1.971 ( 0.719 -1.816 -0.083) 1.955 1.971 ( 0.719 1.816 -0.083) 1.955 2.061 ( 0.148 -1.023 -0.786) 1.299 2.061 ( 0.148 1.023 -0.786) 1.299 2.294 ( 0.273 -1.813 0.430) 1.883 2.294 ( 0.273 1.813 0.430) 1.883 2.400 ( -0.654 -0.953 0.462) 1.245 2.400 ( -0.654 0.953 0.462) 1.245 2.582 ( -0.261 -2.448 0.196) 2.469 2.582 ( -0.261 2.448 0.196) 2.469 2.655 ( -0.354 -0.945 -0.211) 1.031 2.655 ( -0.354 0.945 -0.211) 1.031 2.913 ( -0.298 -0.432 -0.023) 0.525 2.913 ( -0.298 0.432 -0.023) 0.525 3.000 ( -0.294 -2.670 -0.444) 2.723 3.000 ( -0.294 2.670 -0.444) 2.723 3.087 ( -0.259 -1.488 0.187) 1.522 3.087 ( -0.259 1.488 0.187) 1.522 3.222 ( 0.215 -8.203 -0.197) 8.208 3.222 ( 0.215 8.203 -0.197) 8.208 3.294 ( 0.077 -0.387 0.135) 0.417 3.294 ( 0.077 0.387 0.135) 0.417 3.565 ( 0.828 -1.681 0.231) 1.888 3.565 ( 0.828 1.681 0.231) 1.888 3.617 ( -0.054 -1.715 -0.400) 1.762 3.617 ( -0.054 1.715 -0.400) 1.762 3.836 ( -0.525 -5.844 0.292) 5.875 3.836 ( -0.525 5.844 0.292) 5.875 3.916 ( -0.290 -6.038 -0.184) 6.048 3.916 ( -0.290 6.038 -0.184) 6.048 4.037 ( -0.051 -1.648 -0.143) 1.655 4.037 ( -0.051 1.648 -0.143) 1.655 4.276 ( -0.754 -5.733 -0.271) 5.789 4.276 ( -0.754 5.733 -0.271) 5.789 4.423 ( -0.426 -0.174 -0.051) 0.463 4.423 ( -0.426 0.174 -0.051) 0.463 4.715 ( 0.202 -2.252 0.538) 2.324 4.715 ( 0.202 2.252 0.538) 2.324 4.844 ( 0.011 -0.374 0.109) 0.389 4.844 ( 0.011 0.374 0.109) 0.389 5.467 ( -0.273 -8.149 -0.116) 8.154 5.467 ( -0.273 8.149 -0.116) 8.154 6.758 ( -0.050 -0.795 0.037) 0.798 6.758 ( -0.050 0.795 0.037) 0.798 7.630 ( -0.093 -2.548 0.000) 2.549 7.630 ( -0.093 2.548 0.000) 2.549 8.308 ( -0.055 -2.851 1.448) 3.198 8.308 ( -0.055 2.851 1.448) 3.198 8.316 ( -0.165 -5.586 -1.570) 5.805 8.316 ( -0.165 5.586 -1.570) 5.805 8.533 ( -0.054 -1.381 0.025) 1.382 8.533 ( -0.054 1.381 0.025) 1.382 8.912 ( 0.158 -0.841 -0.074) 0.859 8.912 ( 0.158 0.841 -0.074) 0.859 9.039 ( -0.350 -1.416 0.207) 1.473 9.039 ( -0.350 1.416 0.207) 1.473 9.384 ( 0.256 -1.779 -0.116) 1.801 9.384 ( 0.256 1.779 -0.116) 1.801 9.530 ( 1.266 -1.333 1.584) 2.427 9.530 ( 1.266 1.333 1.584) 2.427 9.593 ( -0.038 -2.926 -1.917) 3.499 9.593 ( -0.038 2.926 -1.917) 3.499 9.758 ( 0.084 -0.792 0.553) 0.970 9.758 ( 0.084 0.792 0.553) 0.970 9.880 ( -0.977 -0.588 -0.700) 1.338 9.880 ( -0.977 0.588 -0.700) 1.338 9.983 ( 0.354 -1.155 0.693) 1.393 9.983 ( 0.354 1.155 0.693) 1.393 10.177 ( -0.676 -0.275 0.220) 0.762 10.177 ( -0.676 0.275 0.220) 0.762 10.264 ( -0.171 -3.034 0.083) 3.040 10.264 ( -0.171 3.034 0.083) 3.040 10.451 ( -0.278 -4.327 0.313) 4.348 10.451 ( -0.278 4.327 0.313) 4.348 10.590 ( -0.537 -0.448 -0.222) 0.734 10.590 ( -0.537 0.448 -0.222) 0.734 10.835 ( -0.925 -2.666 0.104) 2.824 10.835 ( -0.925 2.666 0.104) 2.824 11.098 ( -0.759 -7.065 -0.410) 7.117 11.098 ( -0.759 7.065 -0.410) 7.117 11.195 ( -0.220 -3.784 0.190) 3.795 11.195 ( -0.220 3.784 0.190) 3.795 11.554 ( -0.134 -1.884 0.119) 1.893 11.554 ( -0.134 1.884 0.119) 1.893 11.766 ( -0.791 -7.075 -0.177) 7.121 11.766 ( -0.791 7.075 -0.177) 7.121 12.133 ( 0.596 -4.452 0.039) 4.492 12.133 ( 0.596 4.452 0.039) 4.492 12.390 ( 0.980 -0.727 -0.470) 1.308 12.390 ( 0.980 0.727 -0.470) 1.308 ======================= Grid point 25 (10/54) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( -3.787 0.000 18.320) 18.708 0.427 ( -2.738 0.000 19.624) 19.814 0.682 ( 1.974 0.000 28.201) 28.270 0.928 ( 3.209 0.000 4.867) 5.830 1.104 ( -0.291 0.000 0.225) 0.367 1.153 ( 0.064 0.000 -0.142) 0.156 1.208 ( -0.104 0.000 0.127) 0.164 1.251 ( -0.483 0.000 0.833) 0.963 1.307 ( 0.947 0.000 -0.553) 1.097 1.311 ( 0.448 0.000 1.296) 1.371 1.369 ( -0.443 0.000 5.623) 5.641 1.374 ( -0.761 0.000 1.245) 1.460 1.534 ( -1.994 0.000 6.601) 6.896 1.660 ( 2.094 0.000 -1.209) 2.418 1.665 ( 2.696 0.000 5.938) 6.521 1.772 ( 0.345 0.000 -1.504) 1.543 1.853 ( -3.507 0.000 1.828) 3.955 1.953 ( 2.420 0.000 -2.927) 3.797 2.017 ( 0.776 0.000 3.640) 3.722 2.059 ( -0.555 0.000 -3.557) 3.600 2.155 ( -0.819 0.000 5.006) 5.073 2.202 ( -0.384 0.000 7.137) 7.147 2.274 ( 0.198 0.000 -1.388) 1.402 2.353 ( 0.223 0.000 6.127) 6.132 2.359 ( -0.619 0.000 2.305) 2.387 2.396 ( -0.364 0.000 -1.909) 1.944 2.535 ( -0.473 0.000 -4.920) 4.943 2.686 ( -1.094 0.000 6.110) 6.207 2.765 ( -1.557 0.000 9.507) 9.633 2.785 ( -0.444 0.000 1.993) 2.042 2.834 ( -0.069 0.000 5.532) 5.532 2.840 ( -0.608 0.000 -2.333) 2.411 2.960 ( -1.070 0.000 -3.493) 3.654 3.006 ( 0.393 0.000 -0.973) 1.050 3.118 ( 0.461 0.000 2.754) 2.793 3.163 ( -0.603 0.000 0.906) 1.088 3.190 ( -0.585 0.000 2.131) 2.209 3.223 ( 0.391 0.000 2.938) 2.964 3.278 ( 0.058 0.000 -0.549) 0.552 3.368 ( 0.156 0.000 -1.586) 1.594 3.423 ( 1.480 0.000 -4.609) 4.841 3.543 ( -0.182 0.000 1.048) 1.064 3.592 ( 0.760 0.000 1.330) 1.532 3.698 ( 0.428 0.000 -1.126) 1.204 3.711 ( -1.710 0.000 2.785) 3.268 3.859 ( -2.276 0.000 0.618) 2.359 3.945 ( 0.134 0.000 -3.202) 3.205 4.039 ( -1.006 0.000 2.212) 2.430 4.048 ( 1.081 0.000 -2.035) 2.305 4.084 ( -0.132 0.000 0.253) 0.285 4.311 ( 2.087 0.000 -2.026) 2.908 4.324 ( -1.962 0.000 0.146) 1.967 4.403 ( -1.561 0.000 1.524) 2.182 4.631 ( 1.407 0.000 -3.164) 3.463 4.700 ( -0.180 0.000 -5.982) 5.984 4.706 ( 4.323 0.000 -2.100) 4.806 4.788 ( 0.652 0.000 -4.329) 4.378 4.800 ( -1.035 0.000 2.727) 2.916 5.114 ( -0.073 0.000 -4.917) 4.918 5.578 ( 0.192 0.000 -4.296) 4.301 6.775 ( 0.092 0.000 3.438) 3.439 6.845 ( -0.211 0.000 4.589) 4.594 7.537 ( 0.096 0.000 -3.770) 3.771 7.642 ( 0.155 0.000 -5.355) 5.358 8.112 ( -0.013 0.000 0.681) 0.681 8.253 ( -0.142 0.000 0.644) 0.659 8.383 ( 0.147 0.000 0.340) 0.371 8.426 ( 0.202 0.000 -4.766) 4.770 8.534 ( 0.211 0.000 -0.257) 0.332 8.587 ( -0.228 0.000 1.471) 1.488 8.893 ( -0.770 0.000 -0.572) 0.959 8.918 ( -0.160 0.000 0.064) 0.173 9.044 ( 10.710 0.000 -1.585) 10.827 9.144 ( -2.511 0.000 -0.888) 2.664 9.185 ( 0.316 0.000 -0.060) 0.321 9.382 ( 0.398 0.000 -3.725) 3.746 9.391 ( -1.083 0.000 -3.733) 3.887 9.510 ( -1.510 0.000 -1.459) 2.100 9.631 ( -0.930 0.000 -0.527) 1.069 9.671 ( -1.783 0.000 -3.335) 3.782 9.722 ( 1.392 0.000 0.871) 1.642 9.782 ( 0.563 0.000 0.941) 1.097 9.856 ( -2.311 0.000 2.375) 3.314 9.879 ( 1.140 0.000 0.715) 1.346 10.007 ( -1.321 0.000 4.283) 4.483 10.061 ( -0.242 0.000 -1.013) 1.042 10.142 ( 0.495 0.000 9.848) 9.861 10.207 ( -0.056 0.000 1.795) 1.796 10.284 ( -1.317 0.000 -1.231) 1.803 10.363 ( 0.073 0.000 3.389) 3.390 10.563 ( 0.115 0.000 1.616) 1.620 10.581 ( 0.150 0.000 -2.523) 2.527 10.610 ( -0.327 0.000 -2.280) 2.303 10.772 ( -0.408 0.000 0.286) 0.499 10.936 ( 0.201 0.000 -0.118) 0.233 10.963 ( 0.197 0.000 -0.212) 0.289 10.991 ( -15.044 0.000 -0.452) 15.051 11.070 ( -0.186 0.000 4.529) 4.533 11.243 ( -0.091 0.000 0.969) 0.974 11.357 ( 30.505 0.000 -0.467) 30.508 11.457 ( 1.999 0.000 -0.051) 1.999 11.492 ( -2.403 0.000 1.421) 2.791 11.639 ( -0.023 0.000 -2.189) 2.189 11.789 ( -14.195 0.000 -2.968) 14.502 11.991 ( -0.010 0.000 -0.347) 0.347 12.078 ( -2.297 0.000 -1.908) 2.987 12.260 ( 0.598 0.000 0.530) 0.799 12.352 ( -0.066 0.000 -1.628) 1.629 ======================= Grid point 26 (11/54) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 13.160 0.000 7.220) 15.010 0.498 ( 8.539 0.000 14.964) 17.229 0.805 ( 7.116 0.000 22.217) 23.329 1.017 ( 5.567 0.000 5.333) 7.709 1.084 ( -2.065 0.000 1.331) 2.457 1.165 ( 0.999 0.000 -0.489) 1.113 1.212 ( 0.224 0.000 1.496) 1.512 1.217 ( -2.149 0.000 0.292) 2.169 1.278 ( -1.928 0.000 0.025) 1.928 1.312 ( -1.997 0.000 2.134) 2.922 1.353 ( 0.019 0.000 -0.101) 0.103 1.407 ( 3.698 0.000 4.141) 5.552 1.461 ( -5.683 0.000 6.621) 8.725 1.699 ( 1.284 0.000 0.967) 1.608 1.725 ( 1.897 0.000 11.505) 11.660 1.758 ( -2.638 0.000 -0.889) 2.784 1.818 ( 0.057 0.000 -2.427) 2.428 1.986 ( 0.563 0.000 -4.499) 4.534 2.016 ( -1.352 0.000 1.700) 2.172 2.064 ( 1.485 0.000 -3.695) 3.983 2.144 ( -0.306 0.000 5.441) 5.449 2.200 ( -0.285 0.000 6.076) 6.083 2.268 ( -0.747 0.000 -0.474) 0.885 2.362 ( 0.630 0.000 1.792) 1.899 2.363 ( 0.260 0.000 7.602) 7.606 2.386 ( -0.414 0.000 -2.349) 2.385 2.535 ( 0.682 0.000 -5.327) 5.371 2.669 ( -0.926 0.000 6.831) 6.894 2.744 ( -0.701 0.000 9.120) 9.147 2.777 ( -0.232 0.000 2.725) 2.734 2.835 ( 0.013 0.000 5.564) 5.564 2.838 ( 0.443 0.000 -2.232) 2.276 2.939 ( -0.611 0.000 -3.234) 3.291 2.998 ( -0.976 0.000 -0.904) 1.330 3.119 ( -0.486 0.000 2.605) 2.650 3.163 ( 0.463 0.000 0.660) 0.806 3.183 ( -0.263 0.000 0.191) 0.325 3.223 ( -0.455 0.000 3.976) 4.002 3.282 ( 0.338 0.000 -0.311) 0.459 3.373 ( 0.349 0.000 -1.605) 1.643 3.427 ( -0.784 0.000 -4.404) 4.473 3.528 ( -0.764 0.000 2.399) 2.517 3.578 ( -1.403 0.000 0.622) 1.534 3.699 ( 0.492 0.000 1.505) 1.583 3.702 ( 0.055 0.000 -1.024) 1.025 3.815 ( -1.564 0.000 3.784) 4.095 3.943 ( -0.117 0.000 -3.021) 3.024 4.025 ( -0.256 0.000 1.674) 1.693 4.052 ( -0.670 0.000 -1.430) 1.580 4.082 ( -0.069 0.000 0.395) 0.401 4.315 ( 1.197 0.000 -1.545) 1.955 4.335 ( -0.696 0.000 -0.375) 0.790 4.364 ( -0.729 0.000 -0.738) 1.037 4.634 ( -0.985 0.000 -3.269) 3.415 4.696 ( -0.063 0.000 -5.384) 5.384 4.705 ( -4.392 0.000 2.686) 5.148 4.774 ( 0.645 0.000 2.516) 2.597 4.795 ( 0.083 0.000 -3.819) 3.820 5.117 ( 0.597 0.000 -4.991) 5.027 5.578 ( 0.011 0.000 -4.245) 4.245 6.776 ( -0.151 0.000 3.414) 3.417 6.839 ( -0.418 0.000 5.015) 5.032 7.539 ( 0.188 0.000 -3.758) 3.763 7.642 ( 0.001 0.000 -5.356) 5.356 8.112 ( -0.094 0.000 0.696) 0.702 8.250 ( -0.176 0.000 0.564) 0.591 8.383 ( -0.089 0.000 0.362) 0.373 8.428 ( 0.095 0.000 -4.715) 4.716 8.532 ( -0.287 0.000 -0.469) 0.550 8.583 ( -0.240 0.000 1.371) 1.392 8.875 ( -0.918 0.000 0.968) 1.334 8.917 ( 0.067 0.000 -0.083) 0.107 9.065 ( -3.585 0.000 -3.299) 4.872 9.189 ( 0.041 0.000 0.023) 0.047 9.224 ( 4.491 0.000 -4.695) 6.497 9.350 ( -1.512 0.000 -4.319) 4.576 9.410 ( 1.275 0.000 -2.935) 3.200 9.487 ( -0.353 0.000 -1.384) 1.429 9.603 ( -1.331 0.000 -0.683) 1.496 9.625 ( -1.247 0.000 4.320) 4.497 9.765 ( 2.168 0.000 0.158) 2.174 9.769 ( -1.283 0.000 0.004) 1.283 9.861 ( 2.197 0.000 3.699) 4.302 9.910 ( 1.787 0.000 1.845) 2.568 9.985 ( -1.030 0.000 5.792) 5.883 10.058 ( -0.030 0.000 -1.385) 1.385 10.139 ( -1.596 0.000 11.515) 11.625 10.203 ( -0.409 0.000 1.977) 2.019 10.240 ( -3.108 0.000 1.387) 3.403 10.362 ( -0.254 0.000 3.361) 3.370 10.521 ( -11.471 0.000 8.759) 14.432 10.570 ( -1.797 0.000 4.598) 4.936 10.579 ( -0.292 0.000 -2.441) 2.459 10.625 ( -1.357 0.000 -0.851) 1.602 10.771 ( 0.298 0.000 -0.019) 0.299 10.932 ( -0.651 0.000 0.215) 0.685 10.969 ( 0.467 0.000 -0.306) 0.558 11.067 ( -0.310 0.000 4.564) 4.575 11.238 ( -0.389 0.000 1.000) 1.074 11.447 ( -1.962 0.000 0.660) 2.070 11.501 ( 2.285 0.000 0.641) 2.373 11.514 ( -4.870 0.000 0.092) 4.871 11.624 ( 0.131 0.000 -3.481) 3.484 11.927 ( 6.827 0.000 -9.407) 11.624 11.990 ( -0.032 0.000 -0.411) 0.412 12.082 ( 5.101 0.000 -7.312) 8.915 12.302 ( 3.048 0.000 0.072) 3.049 12.351 ( -0.046 0.000 -1.626) 1.626 ======================= Grid point 27 (12/54) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 10.675 0.000 9.545) 14.320 0.698 ( 11.383 0.000 0.943) 11.422 0.852 ( -3.961 0.000 11.599) 12.256 1.004 ( -6.697 0.000 3.657) 7.630 1.108 ( 3.135 0.000 3.842) 4.959 1.181 ( 0.171 0.000 -1.006) 1.020 1.194 ( 0.206 0.000 0.255) 0.328 1.203 ( 0.382 0.000 0.872) 0.951 1.257 ( -2.179 0.000 2.108) 3.032 1.306 ( 0.476 0.000 5.748) 5.767 1.354 ( -3.781 0.000 5.639) 6.790 1.388 ( 2.805 0.000 -1.811) 3.339 1.465 ( 1.617 0.000 7.805) 7.971 1.682 ( -1.752 0.000 6.888) 7.107 1.685 ( -2.689 0.000 2.538) 3.697 1.779 ( 0.749 0.000 3.237) 3.322 1.818 ( 1.029 0.000 -0.161) 1.042 1.976 ( -1.165 0.000 -5.810) 5.925 1.978 ( -2.072 0.000 2.585) 3.313 2.089 ( 0.406 0.000 -3.838) 3.859 2.160 ( 1.892 0.000 5.350) 5.675 2.188 ( -0.963 0.000 6.303) 6.376 2.253 ( -0.638 0.000 -0.804) 1.027 2.365 ( -0.151 0.000 7.394) 7.395 2.372 ( 0.385 0.000 0.446) 0.589 2.385 ( 0.299 0.000 -0.497) 0.580 2.551 ( 0.948 0.000 -6.605) 6.673 2.658 ( -0.353 0.000 6.555) 6.565 2.747 ( 0.544 0.000 8.750) 8.767 2.781 ( 0.516 0.000 3.096) 3.139 2.837 ( -0.015 0.000 5.668) 5.668 2.850 ( 0.699 0.000 -1.662) 1.803 2.942 ( 0.831 0.000 -2.600) 2.730 2.980 ( -0.685 0.000 -1.376) 1.537 3.106 ( -0.749 0.000 2.746) 2.846 3.176 ( 0.797 0.000 0.985) 1.267 3.181 ( 0.103 0.000 -0.741) 0.748 3.214 ( -0.520 0.000 6.059) 6.081 3.286 ( -0.033 0.000 -0.164) 0.168 3.377 ( 0.101 0.000 -1.778) 1.781 3.408 ( -0.805 0.000 -5.426) 5.485 3.524 ( 0.042 0.000 1.342) 1.343 3.561 ( -0.401 0.000 -0.576) 0.702 3.699 ( -0.337 0.000 -1.292) 1.335 3.715 ( 0.833 0.000 2.958) 3.073 3.804 ( 0.155 0.000 4.136) 4.139 3.939 ( -0.161 0.000 -3.097) 3.102 4.030 ( 0.633 0.000 1.717) 1.830 4.031 ( -1.151 0.000 -0.884) 1.451 4.082 ( 0.054 0.000 0.432) 0.436 4.294 ( -2.307 0.000 2.057) 3.091 4.358 ( 2.964 0.000 -2.784) 4.067 4.378 ( 1.027 0.000 -3.245) 3.403 4.600 ( -2.266 0.000 -3.158) 3.887 4.633 ( -2.863 0.000 3.568) 4.574 4.694 ( 0.139 0.000 -5.576) 5.578 4.789 ( -0.501 0.000 -3.445) 3.481 4.789 ( 0.540 0.000 2.800) 2.851 5.128 ( 0.565 0.000 -4.759) 4.792 5.576 ( -0.075 0.000 -4.318) 4.319 6.772 ( -0.261 0.000 3.313) 3.323 6.835 ( -0.164 0.000 5.146) 5.149 7.541 ( 0.114 0.000 -3.758) 3.759 7.639 ( -0.019 0.000 -5.417) 5.417 8.111 ( -0.002 0.000 0.711) 0.711 8.249 ( 0.028 0.000 0.567) 0.568 8.381 ( -0.068 0.000 0.207) 0.218 8.427 ( -0.023 0.000 -4.715) 4.715 8.526 ( -0.243 0.000 -0.301) 0.387 8.581 ( 0.040 0.000 1.306) 1.306 8.862 ( -0.525 0.000 1.405) 1.500 8.920 ( 0.188 0.000 -0.184) 0.263 9.006 ( -2.499 0.000 -4.322) 4.992 9.186 ( -0.286 0.000 -0.448) 0.531 9.242 ( -0.952 0.000 -0.391) 1.029 9.333 ( -0.172 0.000 -3.676) 3.680 9.429 ( 0.807 0.000 -2.657) 2.777 9.508 ( 2.265 0.000 -2.159) 3.129 9.587 ( -0.417 0.000 -0.578) 0.712 9.622 ( -0.366 0.000 3.118) 3.139 9.760 ( 0.429 0.000 -0.370) 0.566 9.792 ( 0.810 0.000 -0.945) 1.245 9.911 ( 2.356 0.000 2.992) 3.809 9.927 ( -0.490 0.000 2.444) 2.493 9.982 ( 0.933 0.000 8.549) 8.600 10.061 ( 0.465 0.000 -1.917) 1.973 10.085 ( -3.531 0.000 8.983) 9.652 10.196 ( -0.303 0.000 2.130) 2.151 10.213 ( 0.127 0.000 5.551) 5.552 10.358 ( -0.314 0.000 3.433) 3.447 10.401 ( -3.061 0.000 4.049) 5.076 10.561 ( -0.251 0.000 2.592) 2.604 10.572 ( -0.242 0.000 -2.265) 2.278 10.626 ( 0.310 0.000 -2.948) 2.965 10.782 ( 0.715 0.000 -0.312) 0.780 10.917 ( -0.757 0.000 0.496) 0.905 10.976 ( 0.152 0.000 -0.555) 0.576 11.064 ( -0.129 0.000 4.639) 4.641 11.233 ( -0.122 0.000 1.392) 1.397 11.421 ( -0.829 0.000 0.412) 0.925 11.436 ( -3.313 0.000 -1.010) 3.463 11.538 ( 1.375 0.000 0.977) 1.687 11.633 ( 0.839 0.000 -3.737) 3.830 11.944 ( -0.444 0.000 -1.418) 1.486 11.990 ( 0.008 0.000 -0.491) 0.491 12.172 ( 2.917 0.000 -9.474) 9.913 12.350 ( 0.076 0.000 -1.516) 1.518 12.353 ( 1.915 0.000 -0.885) 2.110 ======================= Grid point 28 (13/54) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -10.724 0.000 5.968) 12.273 0.770 ( -8.351 0.000 12.067) 14.675 0.842 ( 1.904 0.000 6.139) 6.427 0.956 ( 6.694 0.000 1.477) 6.855 1.143 ( -1.254 0.000 1.272) 1.786 1.152 ( -8.736 0.000 9.216) 12.699 1.173 ( -0.478 0.000 -1.367) 1.448 1.219 ( 1.696 0.000 0.619) 1.805 1.234 ( -0.480 0.000 1.543) 1.616 1.245 ( 0.745 0.000 1.675) 1.833 1.329 ( -0.903 0.000 4.520) 4.609 1.438 ( 1.697 0.000 -0.965) 1.952 1.502 ( 2.715 0.000 11.807) 12.115 1.624 ( -2.726 0.000 0.878) 2.863 1.731 ( 0.725 0.000 1.528) 1.691 1.745 ( -0.011 0.000 1.870) 1.870 1.864 ( 2.747 0.000 1.307) 3.042 1.947 ( -1.472 0.000 -4.888) 5.105 1.967 ( 0.993 0.000 2.994) 3.154 2.082 ( -0.580 0.000 -3.059) 3.114 2.181 ( 0.165 0.000 7.747) 7.749 2.186 ( -0.028 0.000 4.668) 4.668 2.251 ( 0.571 0.000 -1.957) 2.038 2.363 ( -0.362 0.000 6.231) 6.242 2.383 ( 0.803 0.000 -1.036) 1.311 2.388 ( -0.125 0.000 1.881) 1.885 2.559 ( 0.064 0.000 -6.533) 6.533 2.667 ( 1.160 0.000 6.058) 6.168 2.762 ( 0.689 0.000 7.050) 7.084 2.792 ( 0.233 0.000 5.635) 5.640 2.836 ( -0.300 0.000 5.771) 5.779 2.859 ( 0.250 0.000 -1.345) 1.368 2.958 ( 0.875 0.000 -2.452) 2.604 2.978 ( 0.505 0.000 -1.841) 1.909 3.099 ( -0.062 0.000 2.967) 2.967 3.187 ( 0.582 0.000 -1.233) 1.364 3.187 ( 0.170 0.000 1.475) 1.484 3.209 ( -0.284 0.000 7.662) 7.668 3.282 ( -0.287 0.000 -0.349) 0.451 3.375 ( -0.232 0.000 -1.860) 1.874 3.394 ( -0.457 0.000 -6.083) 6.100 3.524 ( -0.058 0.000 1.662) 1.663 3.561 ( 0.405 0.000 -1.221) 1.286 3.692 ( -0.245 0.000 -1.595) 1.613 3.728 ( 0.421 0.000 4.372) 4.392 3.822 ( 1.528 0.000 4.024) 4.305 3.937 ( 0.084 0.000 -3.361) 3.362 4.018 ( -0.126 0.000 -1.050) 1.057 4.044 ( 0.537 0.000 2.304) 2.366 4.084 ( 0.103 0.000 0.387) 0.401 4.265 ( -0.629 0.000 1.161) 1.321 4.392 ( 0.599 0.000 -1.846) 1.941 4.399 ( 0.666 0.000 -1.662) 1.791 4.566 ( -0.354 0.000 -3.510) 3.528 4.602 ( -0.494 0.000 2.182) 2.237 4.698 ( 0.455 0.000 -6.199) 6.215 4.779 ( -0.294 0.000 -3.611) 3.623 4.795 ( 0.021 0.000 3.462) 3.462 5.131 ( -0.138 0.000 -4.537) 4.539 5.574 ( 0.049 0.000 -4.415) 4.416 6.770 ( -0.083 0.000 3.302) 3.303 6.837 ( 0.111 0.000 5.078) 5.080 7.540 ( -0.024 0.000 -3.770) 3.770 7.638 ( 0.127 0.000 -5.452) 5.454 8.112 ( 0.064 0.000 0.720) 0.723 8.251 ( 0.160 0.000 0.653) 0.672 8.380 ( -0.053 0.000 0.033) 0.063 8.425 ( 0.014 0.000 -4.764) 4.764 8.524 ( -0.016 0.000 0.046) 0.048 8.585 ( 0.229 0.000 1.363) 1.382 8.857 ( 0.075 0.000 1.542) 1.544 8.922 ( 0.058 0.000 -0.110) 0.125 8.964 ( -1.893 0.000 -4.539) 4.918 9.181 ( -0.194 0.000 -0.760) 0.784 9.217 ( -1.498 0.000 0.811) 1.704 9.338 ( 0.837 0.000 -3.242) 3.348 9.437 ( 0.018 0.000 -2.727) 2.727 9.554 ( 1.665 0.000 -3.049) 3.474 9.588 ( 0.647 0.000 -0.145) 0.663 9.610 ( 0.184 0.000 1.629) 1.640 9.773 ( 0.541 0.000 -0.316) 0.626 9.792 ( -1.022 0.000 -1.554) 1.860 9.896 ( -2.289 0.000 1.841) 2.938 9.931 ( -0.247 0.000 1.178) 1.204 10.031 ( 0.194 0.000 11.927) 11.928 10.048 ( 2.641 0.000 6.055) 6.607 10.068 ( 0.179 0.000 -1.605) 1.615 10.196 ( 0.241 0.000 2.005) 2.020 10.244 ( 3.472 0.000 10.731) 11.279 10.356 ( -0.006 0.000 3.494) 3.494 10.363 ( -1.038 0.000 2.219) 2.450 10.559 ( -0.045 0.000 1.758) 1.758 10.571 ( 0.186 0.000 -2.248) 2.255 10.626 ( -0.188 0.000 -2.695) 2.702 10.790 ( 0.029 0.000 -0.109) 0.113 10.912 ( 0.332 0.000 0.236) 0.407 10.973 ( -0.349 0.000 -0.630) 0.720 11.065 ( 0.119 0.000 4.662) 4.664 11.235 ( 0.197 0.000 1.633) 1.645 11.389 ( -1.865 0.000 -2.797) 3.362 11.415 ( 0.184 0.000 0.204) 0.274 11.550 ( -0.172 0.000 1.292) 1.304 11.647 ( 0.580 0.000 -3.317) 3.367 11.950 ( 1.146 0.000 -0.660) 1.323 11.990 ( 0.050 0.000 -0.474) 0.476 12.195 ( 0.128 0.000 -7.994) 7.996 12.352 ( 0.126 0.000 -1.451) 1.456 12.361 ( -1.140 0.000 -1.841) 2.166 ======================= Grid point 29 (14/54) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -10.819 0.000 11.678) 15.919 0.567 ( -11.164 0.000 15.454) 19.065 0.768 ( -9.270 0.000 21.167) 23.108 0.938 ( -6.259 0.000 3.472) 7.157 1.078 ( 3.867 0.000 1.500) 4.147 1.163 ( -0.706 0.000 -1.393) 1.562 1.189 ( 2.255 0.000 1.061) 2.492 1.234 ( 1.325 0.000 0.842) 1.570 1.269 ( 3.066 0.000 0.653) 3.135 1.274 ( 1.910 0.000 0.575) 1.994 1.354 ( 2.162 0.000 6.840) 7.174 1.418 ( -3.282 0.000 2.695) 4.247 1.549 ( 0.700 0.000 12.182) 12.202 1.622 ( 1.977 0.000 -2.768) 3.402 1.653 ( -2.652 0.000 -0.349) 2.674 1.790 ( -0.268 0.000 -2.899) 2.911 1.892 ( -0.187 0.000 0.492) 0.527 1.928 ( 0.018 0.000 -3.150) 3.150 1.997 ( 1.378 0.000 3.560) 3.817 2.072 ( -0.469 0.000 -3.689) 3.718 2.171 ( -1.162 0.000 4.913) 5.049 2.196 ( 0.810 0.000 7.811) 7.853 2.265 ( 0.760 0.000 -1.880) 2.027 2.356 ( -0.560 0.000 5.111) 5.142 2.377 ( -1.030 0.000 2.093) 2.333 2.397 ( 0.401 0.000 -1.032) 1.108 2.550 ( -0.691 0.000 -5.696) 5.738 2.692 ( 0.649 0.000 4.921) 4.964 2.779 ( 0.759 0.000 2.696) 2.801 2.788 ( -0.891 0.000 10.248) 10.286 2.832 ( -0.163 0.000 5.536) 5.538 2.855 ( -0.614 0.000 -1.746) 1.851 2.971 ( 0.230 0.000 -3.124) 3.133 2.990 ( 0.900 0.000 -1.458) 1.713 3.106 ( 0.576 0.000 2.938) 2.994 3.180 ( -0.921 0.000 1.380) 1.660 3.197 ( 0.088 0.000 2.112) 2.114 3.211 ( 0.435 0.000 5.012) 5.030 3.279 ( -0.044 0.000 -0.501) 0.503 3.370 ( -0.218 0.000 -1.750) 1.763 3.394 ( 0.990 0.000 -5.068) 5.163 3.530 ( 0.779 0.000 2.393) 2.517 3.573 ( 0.798 0.000 -0.750) 1.095 3.691 ( 0.218 0.000 -1.508) 1.523 3.731 ( -0.383 0.000 4.083) 4.101 3.858 ( 1.809 0.000 2.971) 3.478 3.941 ( 0.355 0.000 -3.452) 3.470 4.026 ( 0.990 0.000 -1.647) 1.921 4.048 ( -0.140 0.000 2.932) 2.935 4.085 ( 0.016 0.000 0.335) 0.335 4.274 ( 1.485 0.000 -0.204) 1.499 4.373 ( -2.743 0.000 0.185) 2.750 4.403 ( 0.731 0.000 0.861) 1.129 4.592 ( 2.490 0.000 -3.873) 4.604 4.620 ( 2.748 0.000 1.101) 2.960 4.703 ( 0.185 0.000 -6.263) 6.266 4.779 ( 0.413 0.000 -4.187) 4.207 4.796 ( 0.138 0.000 3.929) 3.932 5.122 ( -0.515 0.000 -4.604) 4.633 5.575 ( 0.218 0.000 -4.403) 4.408 6.771 ( 0.097 0.000 3.358) 3.359 6.842 ( 0.226 0.000 4.872) 4.877 7.538 ( -0.031 0.000 -3.778) 3.778 7.640 ( 0.229 0.000 -5.413) 5.418 8.113 ( -0.016 0.000 0.690) 0.690 8.254 ( 0.072 0.000 0.703) 0.707 8.380 ( 0.045 0.000 0.117) 0.125 8.425 ( 0.145 0.000 -4.798) 4.800 8.527 ( 0.342 0.000 0.427) 0.547 8.589 ( 0.071 0.000 1.465) 1.467 8.877 ( 2.327 0.000 2.195) 3.199 8.921 ( -0.148 0.000 0.046) 0.155 8.936 ( -0.289 0.000 -2.634) 2.649 9.180 ( 0.156 0.000 -0.516) 0.539 9.187 ( -1.806 0.000 0.362) 1.842 9.358 ( 1.330 0.000 -3.179) 3.446 9.424 ( -1.282 0.000 -3.553) 3.777 9.542 ( -1.700 0.000 -0.911) 1.929 9.613 ( 1.901 0.000 0.459) 1.956 9.654 ( 2.999 0.000 -3.386) 4.523 9.747 ( -3.137 0.000 -0.832) 3.245 9.776 ( -0.077 0.000 0.213) 0.227 9.870 ( -0.301 0.000 0.777) 0.833 9.906 ( -2.299 0.000 0.737) 2.414 10.023 ( -0.445 0.000 4.373) 4.395 10.067 ( -0.241 0.000 -1.150) 1.175 10.115 ( 2.197 0.000 9.751) 9.996 10.203 ( 0.350 0.000 1.821) 1.854 10.302 ( -0.412 0.000 2.644) 2.676 10.359 ( 0.189 0.000 3.441) 3.446 10.509 ( 21.386 0.000 18.677) 28.394 10.563 ( 1.678 0.000 2.059) 2.657 10.576 ( 0.415 0.000 -2.415) 2.450 10.620 ( 0.032 0.000 -1.421) 1.421 10.783 ( -0.637 0.000 0.286) 0.698 10.925 ( 0.863 0.000 -0.189) 0.884 10.965 ( -0.371 0.000 -0.427) 0.565 11.069 ( 0.087 0.000 4.610) 4.611 11.241 ( 0.288 0.000 1.398) 1.427 11.344 ( -3.868 0.000 -4.854) 6.206 11.427 ( 1.090 0.000 0.053) 1.091 11.532 ( -1.695 0.000 1.410) 2.205 11.648 ( -0.375 0.000 -2.635) 2.662 11.970 ( -0.433 0.000 -3.331) 3.359 11.991 ( 0.022 0.000 -0.388) 0.389 12.164 ( -4.013 0.000 -8.796) 9.668 12.305 ( -4.446 0.000 -1.931) 4.848 12.353 ( 0.051 0.000 -1.518) 1.518 ======================= Grid point 30 (15/54) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 0.691 10.832 11.933) 16.131 0.558 ( 0.234 10.033 12.362) 15.923 0.877 ( 1.866 2.645 14.270) 14.632 0.934 ( 0.502 8.542 7.679) 11.497 1.058 ( -1.356 -1.762 2.068) 3.036 1.154 ( 0.349 0.304 0.265) 0.533 1.203 ( -0.261 -0.742 0.631) 1.008 1.238 ( -0.768 -1.023 1.478) 1.955 1.273 ( -2.293 -3.011 0.031) 3.785 1.285 ( 2.555 -2.141 1.757) 3.769 1.361 ( -0.663 2.053 1.957) 2.913 1.465 ( 0.134 3.946 3.591) 5.337 1.547 ( 0.572 0.764 2.431) 2.612 1.570 ( 1.670 -5.081 10.547) 11.825 1.609 ( 0.269 -3.515 -0.745) 3.603 1.763 ( -0.985 -1.209 -1.276) 2.015 1.823 ( -0.945 -0.700 -0.116) 1.182 1.905 ( -0.490 -8.907 -5.611) 10.539 1.997 ( 0.155 -1.920 4.652) 5.035 2.035 ( 0.271 0.455 2.520) 2.575 2.106 ( -0.082 -3.274 1.159) 3.474 2.221 ( -0.942 -6.036 6.551) 8.957 2.252 ( -0.299 2.728 2.005) 3.398 2.318 ( 0.532 0.838 2.623) 2.804 2.366 ( 1.866 3.563 0.957) 4.135 2.427 ( -0.405 1.737 1.016) 2.052 2.594 ( 0.519 0.173 -1.891) 1.969 2.682 ( -0.797 0.198 7.622) 7.666 2.723 ( -1.414 -3.189 7.769) 8.516 2.748 ( -0.392 -2.605 2.805) 3.848 2.873 ( -0.529 2.282 -1.745) 2.921 2.922 ( 0.028 7.059 2.919) 7.639 2.938 ( -0.882 -0.417 -3.522) 3.654 3.036 ( 0.894 1.735 -1.222) 2.303 3.099 ( -1.201 -1.451 3.770) 4.215 3.120 ( -0.115 -0.563 1.601) 1.701 3.146 ( -0.312 -3.152 -0.285) 3.180 3.263 ( 0.069 1.948 2.855) 3.457 3.302 ( 0.450 0.667 1.325) 1.550 3.370 ( 0.278 -2.773 -2.504) 3.747 3.460 ( 1.112 2.816 -2.588) 3.983 3.582 ( -0.167 -0.413 1.130) 1.214 3.603 ( -0.507 2.563 -1.172) 2.863 3.648 ( 0.477 0.629 1.891) 2.049 3.703 ( -1.228 -4.703 1.364) 5.048 3.771 ( 0.057 3.831 -0.065) 3.832 3.931 ( 0.001 -2.510 -2.330) 3.424 4.023 ( -0.448 0.169 0.438) 0.649 4.065 ( -0.143 -1.238 -0.463) 1.329 4.173 ( 0.213 -4.523 -3.060) 5.465 4.210 ( -0.193 0.921 0.677) 1.159 4.351 ( -1.351 -0.714 2.041) 2.550 4.414 ( -1.102 2.681 -0.794) 3.005 4.568 ( 1.333 -6.319 0.208) 6.461 4.662 ( 1.811 1.012 -2.089) 2.945 4.733 ( 0.327 -0.960 -0.255) 1.046 4.753 ( 0.187 1.057 -4.038) 4.178 4.810 ( 0.906 -0.578 -4.322) 4.454 5.244 ( -0.397 9.922 -4.184) 10.775 5.551 ( 0.079 -3.583 -5.330) 6.423 6.783 ( 0.073 0.800 3.666) 3.753 6.829 ( -0.113 -1.212 4.652) 4.809 7.555 ( 0.064 1.466 -3.574) 3.864 7.635 ( 0.104 -1.495 -5.627) 5.823 8.153 ( -0.099 4.254 -1.190) 4.418 8.283 ( -0.183 2.845 1.232) 3.106 8.339 ( 0.276 -3.526 -2.476) 4.317 8.429 ( -0.124 -1.565 -0.671) 1.708 8.518 ( 0.054 -0.132 -0.074) 0.161 8.576 ( -0.143 -1.277 0.793) 1.510 8.888 ( -0.070 0.544 0.428) 0.696 8.919 ( -0.428 -0.307 0.118) 0.539 9.011 ( 3.908 0.433 1.402) 4.175 9.124 ( -1.650 -1.738 -1.301) 2.727 9.265 ( 0.829 2.800 -4.366) 5.253 9.365 ( 0.247 -2.386 -3.890) 4.570 9.409 ( 0.305 2.227 -3.935) 4.532 9.483 ( -0.517 -2.026 -1.598) 2.632 9.611 ( 0.076 -1.396 1.982) 2.426 9.623 ( -1.477 -0.729 -0.175) 1.657 9.794 ( 1.645 0.904 1.338) 2.306 9.800 ( 0.822 1.965 -0.084) 2.131 9.843 ( -1.453 1.323 -0.302) 1.988 9.931 ( -0.097 2.114 1.641) 2.678 9.953 ( -0.842 -3.006 1.949) 3.680 10.024 ( 0.625 -1.361 2.371) 2.805 10.199 ( -0.046 2.095 3.232) 3.852 10.260 ( -0.053 4.208 4.545) 6.194 10.313 ( -1.179 1.772 -0.101) 2.131 10.360 ( 0.322 -0.760 3.680) 3.772 10.457 ( 0.057 -7.237 1.246) 7.344 10.546 ( 0.326 -3.875 5.049) 6.373 10.624 ( -0.087 0.562 0.029) 0.569 10.647 ( 0.344 -1.848 2.239) 2.923 10.855 ( -0.097 -0.698 0.794) 1.062 10.936 ( 0.732 -2.460 0.094) 2.568 11.049 ( -1.452 4.950 -0.056) 5.159 11.171 ( -5.585 1.684 -1.896) 6.134 11.238 ( -0.439 -0.784 1.118) 1.434 11.276 ( 7.362 -3.788 1.086) 8.350 11.483 ( 0.750 2.202 -0.593) 2.401 11.604 ( 1.358 -2.717 -1.939) 3.604 11.713 ( 8.722 8.082 -6.608) 13.604 11.812 ( -10.739 1.440 -3.960) 11.536 12.019 ( 0.187 2.147 -1.420) 2.581 12.070 ( -1.686 -0.740 -1.749) 2.539 12.264 ( -0.273 1.106 -0.301) 1.179 12.339 ( -0.431 -1.328 -1.716) 2.213 ======================= Grid point 31 (16/54) ======================= q-point: ( 0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 5.682 6.446 9.058) 12.485 0.641 ( 7.444 9.323 7.368) 14.022 0.943 ( 3.123 2.574 15.201) 15.730 1.000 ( 3.896 3.083 3.470) 6.060 1.060 ( 1.715 -0.779 1.033) 2.148 1.164 ( -2.966 -3.015 0.709) 4.288 1.171 ( 0.712 0.943 0.605) 1.327 1.217 ( 0.007 -0.793 1.117) 1.370 1.252 ( -1.024 -0.697 3.519) 3.731 1.302 ( -0.760 0.744 2.367) 2.596 1.353 ( 1.038 1.287 1.015) 1.940 1.452 ( -2.344 0.885 2.574) 3.592 1.532 ( -1.188 6.601 6.927) 9.642 1.600 ( 0.551 -7.803 10.795) 13.331 1.662 ( 4.824 -4.570 -1.100) 6.735 1.733 ( -1.968 -3.225 -2.156) 4.350 1.800 ( -1.590 0.513 0.398) 1.718 1.914 ( 1.097 -7.624 -5.896) 9.699 1.993 ( -0.742 -1.261 4.013) 4.272 2.038 ( -0.022 -1.741 1.970) 2.630 2.110 ( 0.435 -3.409 0.523) 3.477 2.207 ( -0.551 -7.449 6.127) 9.661 2.244 ( -0.552 4.563 1.966) 4.999 2.321 ( -0.361 1.694 1.976) 2.628 2.396 ( 0.442 3.268 0.955) 3.434 2.423 ( -0.035 2.190 3.130) 3.820 2.607 ( 0.750 0.545 -2.562) 2.725 2.671 ( -0.513 0.820 7.668) 7.729 2.704 ( -0.645 -3.101 6.613) 7.333 2.743 ( -0.128 -2.737 2.997) 4.060 2.866 ( -0.021 1.683 -1.827) 2.484 2.921 ( -0.264 6.067 2.690) 6.642 2.926 ( -0.041 1.316 -2.936) 3.218 3.035 ( -0.927 2.120 -1.438) 2.724 3.088 ( 0.051 -3.125 3.469) 4.669 3.114 ( -0.570 -0.574 1.644) 1.833 3.138 ( -0.252 -2.393 -0.058) 2.407 3.268 ( 0.135 1.820 2.447) 3.053 3.309 ( -0.033 0.975 1.413) 1.718 3.369 ( -0.167 -2.814 -2.758) 3.943 3.478 ( 0.682 3.218 -2.763) 4.296 3.573 ( -0.699 0.631 1.057) 1.415 3.585 ( -0.840 3.926 -0.389) 4.033 3.657 ( 0.392 -0.690 0.582) 0.984 3.682 ( -0.615 -4.266 2.488) 4.977 3.775 ( 0.236 4.048 0.286) 4.065 3.929 ( -0.143 -2.376 -2.282) 3.298 4.018 ( -0.025 0.020 0.360) 0.361 4.060 ( -0.391 -1.167 -0.784) 1.459 4.167 ( -0.712 -0.586 -1.040) 1.390 4.201 ( -0.570 -4.094 -0.538) 4.169 4.330 ( -0.686 -0.526 1.306) 1.566 4.396 ( -0.363 2.599 -1.274) 2.917 4.550 ( -2.447 -6.639 1.282) 7.190 4.672 ( -0.565 2.037 -2.863) 3.559 4.749 ( 0.780 0.179 -1.377) 1.593 4.761 ( 0.678 0.265 -1.265) 1.460 4.812 ( -0.383 -0.028 -4.169) 4.187 5.237 ( -0.106 9.683 -4.374) 10.626 5.544 ( -0.388 -3.815 -4.792) 6.137 6.784 ( -0.127 0.803 3.674) 3.763 6.827 ( -0.215 -1.026 4.782) 4.896 7.555 ( 0.054 1.414 -3.589) 3.858 7.631 ( -0.235 -1.458 -5.256) 5.459 8.151 ( -0.020 4.182 -1.000) 4.300 8.279 ( -0.206 2.735 1.144) 2.972 8.342 ( 0.074 -3.431 -2.307) 4.135 8.425 ( -0.151 -1.840 -0.795) 2.010 8.516 ( -0.235 -0.204 -0.219) 0.381 8.571 ( -0.266 -1.276 0.609) 1.438 8.886 ( -0.142 1.138 0.578) 1.284 8.914 ( -0.083 -0.246 0.132) 0.291 9.065 ( -0.418 -1.264 -0.897) 1.606 9.082 ( -0.331 -2.075 0.386) 2.136 9.272 ( -0.079 1.089 -4.906) 5.025 9.373 ( 0.721 -2.613 -3.864) 4.720 9.422 ( 0.525 3.045 -4.702) 5.626 9.487 ( 1.122 -0.269 -1.518) 1.906 9.597 ( -0.384 -0.083 0.438) 0.589 9.626 ( 0.487 -0.726 2.054) 2.233 9.793 ( -1.654 2.483 -0.912) 3.120 9.815 ( 0.412 3.134 -0.246) 3.171 9.837 ( 1.426 -1.032 4.264) 4.613 9.934 ( -0.275 -3.087 3.910) 4.990 9.960 ( 1.714 2.665 1.568) 3.535 10.039 ( 0.903 -1.048 1.703) 2.194 10.193 ( -0.695 1.571 3.017) 3.472 10.246 ( -4.008 3.576 5.390) 7.609 10.266 ( -1.510 2.357 1.882) 3.373 10.362 ( -0.172 -0.494 3.796) 3.832 10.443 ( -1.629 -2.940 3.225) 4.658 10.536 ( -1.357 -2.993 3.394) 4.724 10.596 ( -2.440 0.991 1.276) 2.926 10.634 ( -0.393 0.237 -0.379) 0.595 10.818 ( -2.416 2.037 0.269) 3.172 10.924 ( -1.840 -1.774 0.303) 2.574 10.985 ( -1.429 4.460 -0.528) 4.713 11.115 ( -0.520 2.903 1.819) 3.465 11.231 ( -0.526 -0.749 1.351) 1.632 11.325 ( -0.817 -7.333 -0.004) 7.379 11.506 ( 1.336 1.736 0.202) 2.200 11.584 ( -2.888 -0.379 -1.094) 3.112 11.667 ( -2.711 5.224 -1.460) 6.064 11.874 ( 3.413 -4.687 -6.221) 8.504 12.023 ( 0.283 2.745 -1.595) 3.187 12.086 ( 3.675 0.061 -5.706) 6.787 12.300 ( 3.110 0.299 -0.485) 3.162 12.343 ( 0.807 -0.878 -2.058) 2.379 ======================= Grid point 32 (17/54) ======================= q-point: ( 0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 4.624 -2.305 5.208) 7.336 0.786 ( 5.991 5.881 5.866) 10.242 0.956 ( -1.630 2.112 9.815) 10.171 1.009 ( -2.473 0.934 0.074) 2.644 1.121 ( 0.792 -2.858 1.744) 3.441 1.129 ( 1.582 0.603 1.580) 2.315 1.164 ( -1.505 -2.349 0.549) 2.843 1.189 ( -1.303 -1.479 1.138) 2.276 1.233 ( 0.286 0.515 2.469) 2.538 1.342 ( -2.056 0.905 3.150) 3.869 1.391 ( 1.718 5.322 7.398) 9.274 1.405 ( 2.996 1.750 0.153) 3.473 1.521 ( -0.485 2.934 11.294) 11.679 1.602 ( -1.867 -2.648 7.002) 7.715 1.696 ( 0.594 -2.278 -0.371) 2.383 1.757 ( 1.205 -1.439 -1.132) 2.192 1.763 ( -0.030 -2.961 0.324) 2.979 1.915 ( -0.628 -6.742 -4.569) 8.169 1.981 ( -0.378 -1.083 2.320) 2.588 2.041 ( 0.250 -1.838 1.404) 2.326 2.118 ( 0.324 -2.889 0.852) 3.030 2.208 ( 0.502 -8.990 4.480) 10.057 2.238 ( -0.022 5.359 2.881) 6.085 2.306 ( -1.198 1.977 0.970) 2.507 2.381 ( -1.544 2.617 0.806) 3.143 2.425 ( 0.125 2.229 4.634) 5.144 2.609 ( -0.472 -1.094 -1.639) 2.027 2.672 ( 0.247 1.335 5.782) 5.940 2.707 ( 0.777 -3.050 6.614) 7.324 2.745 ( 0.122 -2.818 3.734) 4.679 2.871 ( 0.556 1.385 -1.862) 2.386 2.917 ( -0.167 5.534 2.966) 6.281 2.936 ( 0.941 1.755 -1.723) 2.634 3.016 ( -0.771 1.919 -1.824) 2.757 3.095 ( 0.427 -3.755 2.493) 4.527 3.105 ( -0.306 -0.698 2.571) 2.681 3.139 ( 0.244 -1.047 0.425) 1.156 3.268 ( -0.127 1.759 2.744) 3.262 3.301 ( -0.592 0.534 1.019) 1.294 3.365 ( -0.136 -2.616 -3.258) 4.180 3.482 ( -0.097 4.147 -3.371) 5.345 3.569 ( 0.232 2.931 0.099) 2.942 3.579 ( 0.094 3.746 0.145) 3.750 3.660 ( -0.277 -0.257 1.707) 1.749 3.682 ( 0.514 -6.119 1.853) 6.414 3.778 ( 0.045 4.055 0.437) 4.078 3.926 ( -0.040 -2.259 -2.400) 3.296 4.023 ( 0.555 -0.226 0.523) 0.795 4.052 ( -0.310 -0.725 -0.732) 1.076 4.151 ( -0.748 1.406 1.012) 1.887 4.191 ( -0.492 -6.002 -0.287) 6.029 4.333 ( 0.927 -0.890 -0.420) 1.352 4.402 ( 0.903 1.187 -1.778) 2.321 4.503 ( -2.178 -6.223 2.000) 6.889 4.650 ( -1.472 3.465 -3.063) 4.854 4.755 ( 0.126 1.824 -2.515) 3.109 4.770 ( 0.076 -1.038 0.237) 1.068 4.801 ( -0.601 0.331 -4.083) 4.141 5.238 ( 0.346 9.130 -4.365) 10.125 5.538 ( -0.107 -3.987 -4.510) 6.020 6.781 ( -0.245 0.850 3.582) 3.690 6.825 ( -0.148 -0.945 4.846) 4.939 7.555 ( 0.066 1.322 -3.604) 3.840 7.626 ( -0.081 -1.439 -5.000) 5.203 8.151 ( 0.073 4.094 -0.884) 4.189 8.278 ( 0.033 2.734 1.136) 2.961 8.340 ( -0.092 -3.413 -2.238) 4.082 8.424 ( 0.031 -1.809 -0.947) 2.042 8.511 ( -0.160 -0.209 -0.280) 0.384 8.568 ( -0.041 -1.364 0.581) 1.483 8.883 ( -0.119 1.769 0.745) 1.923 8.916 ( 0.219 -0.125 -0.024) 0.253 9.020 ( -2.405 1.020 -2.564) 3.660 9.103 ( 0.872 -4.276 1.525) 4.623 9.267 ( -0.184 1.483 -5.147) 5.359 9.385 ( 0.489 -3.543 -3.966) 5.341 9.415 ( -0.777 4.544 -3.295) 5.667 9.513 ( 1.117 -0.749 -2.428) 2.776 9.598 ( 0.699 1.411 0.047) 1.576 9.635 ( 0.061 0.914 3.307) 3.432 9.771 ( -0.220 1.491 -1.426) 2.075 9.823 ( 0.101 2.063 -0.642) 2.163 9.857 ( 0.201 -2.038 4.152) 4.630 9.935 ( 0.423 -3.151 5.251) 6.138 9.992 ( 1.159 2.986 2.071) 3.815 10.057 ( 0.537 -0.586 3.039) 3.141 10.147 ( -3.341 3.837 4.363) 6.703 10.190 ( -0.347 -0.176 2.998) 3.023 10.258 ( -0.288 3.853 4.663) 6.056 10.360 ( -0.179 -0.313 3.915) 3.931 10.408 ( -1.892 1.056 3.100) 3.782 10.516 ( -0.597 -3.256 -0.231) 3.319 10.574 ( -0.311 0.434 0.540) 0.760 10.629 ( -0.216 -0.319 -0.499) 0.631 10.797 ( -0.136 1.094 -0.119) 1.109 10.896 ( -1.014 -2.277 0.446) 2.532 10.978 ( 0.019 2.642 0.076) 2.644 11.120 ( 0.695 3.421 1.967) 4.007 11.221 ( -0.466 -1.327 1.945) 2.400 11.300 ( -1.285 -6.906 -0.672) 7.057 11.510 ( -1.274 2.674 0.050) 2.962 11.550 ( 0.059 0.684 -0.821) 1.070 11.656 ( 0.393 2.915 -1.469) 3.288 11.886 ( -0.046 -5.535 -1.545) 5.747 12.028 ( 0.203 3.187 -1.628) 3.585 12.143 ( 1.895 -2.276 -6.597) 7.232 12.351 ( 1.700 0.289 -1.447) 2.251 12.361 ( 1.051 0.257 -2.107) 2.368 ======================= Grid point 33 (18/54) ======================= q-point: (-0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -4.864 -4.317 5.563) 8.558 0.772 ( -7.395 5.764 9.268) 13.183 0.936 ( -2.095 0.265 5.970) 6.332 1.010 ( 4.127 2.038 -0.684) 4.654 1.091 ( -2.781 -3.969 1.133) 4.977 1.122 ( -0.738 -1.266 3.247) 3.562 1.179 ( 1.479 0.621 2.782) 3.211 1.198 ( 2.033 -1.046 2.550) 3.425 1.273 ( 2.653 1.981 -0.141) 3.314 1.291 ( -2.711 3.289 4.093) 5.909 1.365 ( -3.605 4.399 4.837) 7.466 1.471 ( 2.268 1.378 3.385) 4.301 1.494 ( -1.978 1.575 8.580) 8.944 1.570 ( -1.097 -3.059 4.100) 5.232 1.715 ( -4.620 -2.532 0.616) 5.305 1.748 ( 3.572 0.771 1.888) 4.113 1.783 ( 1.750 -4.129 -1.185) 4.639 1.926 ( 1.326 -6.534 -4.652) 8.130 1.981 ( 0.299 -0.850 2.602) 2.754 2.035 ( -0.795 -0.053 1.696) 1.874 2.124 ( 0.030 -2.827 0.883) 2.962 2.224 ( 0.670 -8.218 4.525) 9.405 2.244 ( 0.397 4.347 3.173) 5.396 2.290 ( -0.143 0.783 0.588) 0.990 2.355 ( -1.045 2.161 0.628) 2.481 2.431 ( 0.328 1.748 3.605) 4.020 2.597 ( -0.526 -1.840 -1.009) 2.164 2.680 ( 0.460 0.613 5.518) 5.571 2.730 ( 1.016 -2.978 7.316) 7.965 2.749 ( 0.163 -2.744 3.801) 4.691 2.881 ( 0.393 1.713 -1.454) 2.281 2.917 ( 0.005 6.175 3.091) 6.905 2.951 ( 0.563 0.617 -1.476) 1.696 3.008 ( 0.025 1.753 -1.972) 2.638 3.101 ( 0.280 -0.187 1.358) 1.400 3.111 ( 0.726 -4.709 3.476) 5.898 3.143 ( 0.067 0.151 1.393) 1.403 3.267 ( -0.007 1.732 3.023) 3.484 3.294 ( -0.161 0.361 0.818) 0.908 3.362 ( -0.091 -2.349 -3.574) 4.278 3.470 ( -1.010 3.916 -3.518) 5.361 3.575 ( 0.345 2.880 -0.011) 2.901 3.586 ( 0.661 4.888 -0.066) 4.933 3.651 ( -0.558 -1.409 2.168) 2.646 3.695 ( 0.718 -5.768 1.525) 6.009 3.777 ( -0.124 3.497 0.560) 3.544 3.927 ( 0.211 -2.200 -2.455) 3.303 4.034 ( 0.284 -0.006 0.633) 0.694 4.053 ( 0.525 -0.777 -0.349) 1.000 4.147 ( 0.350 0.230 0.992) 1.077 4.186 ( 0.126 -3.141 0.239) 3.153 4.358 ( 1.353 -1.608 -0.421) 2.143 4.421 ( 0.899 0.508 -1.167) 1.559 4.480 ( -0.120 -5.586 1.715) 5.845 4.625 ( -0.743 3.922 -3.169) 5.097 4.754 ( -0.210 1.389 -1.898) 2.362 4.764 ( -0.509 -0.877 -1.487) 1.800 4.790 ( -0.282 0.134 -3.908) 3.920 5.244 ( 0.380 9.165 -4.152) 10.069 5.538 ( 0.271 -3.822 -4.560) 5.956 6.779 ( -0.103 0.863 3.543) 3.648 6.825 ( 0.004 -1.040 4.772) 4.884 7.555 ( 0.055 1.343 -3.595) 3.838 7.626 ( 0.233 -1.398 -5.023) 5.219 8.153 ( 0.104 4.049 -0.882) 4.145 8.281 ( 0.190 2.840 1.217) 3.096 8.337 ( -0.129 -3.510 -2.348) 4.225 8.426 ( 0.189 -1.526 -0.949) 1.807 8.510 ( 0.077 -0.149 -0.187) 0.251 8.570 ( 0.198 -1.440 0.756) 1.638 8.883 ( 0.091 1.922 0.833) 2.097 8.920 ( 0.274 0.182 0.126) 0.352 8.979 ( -1.785 1.586 -2.466) 3.433 9.117 ( 0.752 -3.973 0.948) 4.153 9.263 ( -0.110 2.393 -4.879) 5.435 9.378 ( -0.854 -0.712 -3.875) 4.031 9.410 ( 0.317 1.285 -2.402) 2.743 9.516 ( -0.508 -2.416 -2.498) 3.512 9.624 ( -0.923 1.879 2.195) 3.033 9.631 ( 2.216 2.032 -0.010) 3.007 9.778 ( 0.477 0.268 -0.900) 1.053 9.806 ( -1.951 -0.350 -0.863) 2.162 9.855 ( -0.099 -0.232 2.177) 2.192 9.953 ( 1.056 -3.373 4.485) 5.711 9.991 ( -1.435 2.342 1.718) 3.240 10.040 ( -1.707 -0.102 4.284) 4.612 10.152 ( 2.515 3.173 2.371) 4.692 10.213 ( 3.431 -0.379 7.600) 8.347 10.256 ( -0.071 3.500 5.009) 6.111 10.355 ( -0.634 -0.224 3.489) 3.553 10.386 ( -0.020 1.778 2.677) 3.214 10.509 ( -0.226 -3.520 -1.032) 3.676 10.577 ( 0.632 0.572 0.430) 0.955 10.625 ( -0.142 -0.274 -0.682) 0.749 10.802 ( 0.558 0.649 0.031) 0.857 10.890 ( 0.464 -2.602 0.101) 2.645 10.981 ( 0.397 3.512 0.251) 3.543 11.135 ( 0.693 4.433 2.276) 5.031 11.217 ( 0.021 -2.195 2.062) 3.012 11.285 ( -0.365 -6.023 -1.349) 6.183 11.487 ( -0.832 3.386 -0.879) 3.596 11.559 ( 0.510 0.157 -0.498) 0.730 11.663 ( 0.272 2.592 -1.199) 2.869 11.895 ( 1.124 -5.361 -0.853) 5.544 12.028 ( -0.102 3.214 -1.432) 3.520 12.155 ( -0.268 -3.019 -5.640) 6.403 12.361 ( -0.442 0.550 -1.495) 1.653 12.368 ( -0.464 0.484 -2.544) 2.630 ======================= Grid point 34 (19/54) ======================= q-point: (-0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -6.908 3.554 10.887) 13.374 0.622 ( -7.072 8.143 12.029) 16.155 0.880 ( -2.522 -1.269 5.454) 6.141 0.998 ( -5.600 3.008 6.883) 9.369 1.091 ( -0.202 2.722 3.343) 4.316 1.140 ( 2.442 -0.585 1.097) 2.740 1.189 ( -0.967 1.623 2.218) 2.913 1.220 ( -0.294 0.435 1.169) 1.281 1.247 ( 1.890 -0.886 1.876) 2.806 1.326 ( 3.314 2.849 1.360) 4.577 1.337 ( -1.767 -1.231 3.033) 3.720 1.450 ( -0.418 1.899 5.565) 5.895 1.535 ( 2.352 -1.841 11.637) 12.014 1.570 ( -0.841 -1.919 -1.327) 2.480 1.611 ( -2.873 -2.133 -2.021) 4.110 1.786 ( -0.992 -0.873 -0.905) 1.601 1.817 ( 1.829 -3.227 0.535) 3.747 1.927 ( -0.972 -8.142 -4.998) 9.603 1.991 ( 0.344 -1.210 4.403) 4.579 2.029 ( 0.153 1.009 1.846) 2.109 2.115 ( -0.804 -2.327 1.113) 2.702 2.230 ( -0.188 -6.111 6.169) 8.686 2.252 ( 0.256 2.407 2.149) 3.237 2.302 ( 1.026 -0.149 1.591) 1.899 2.347 ( 0.207 2.824 0.179) 2.837 2.434 ( -0.254 1.425 1.486) 2.074 2.591 ( -0.117 -1.145 -1.250) 1.699 2.688 ( -0.009 0.009 6.571) 6.571 2.740 ( -0.396 -3.432 8.097) 8.803 2.752 ( -0.065 -2.382 3.393) 4.146 2.882 ( -0.243 2.103 -1.612) 2.661 2.919 ( 0.129 6.763 2.847) 7.339 2.952 ( -0.356 -0.312 -2.408) 2.454 3.017 ( 0.913 1.656 -1.489) 2.407 3.109 ( 0.268 -0.009 2.639) 2.653 3.122 ( -0.039 -2.843 2.782) 3.978 3.143 ( 0.228 -1.503 0.772) 1.704 3.266 ( -0.323 1.880 3.021) 3.573 3.295 ( 0.236 0.408 1.106) 1.202 3.362 ( 0.391 -2.545 -3.202) 4.109 3.452 ( -0.412 3.364 -2.891) 4.455 3.581 ( 0.197 1.175 0.484) 1.286 3.600 ( 0.680 5.161 -1.074) 5.315 3.644 ( -0.219 -1.204 2.801) 3.057 3.708 ( 0.469 -5.395 1.248) 5.557 3.774 ( -0.233 3.014 0.313) 3.039 3.930 ( 0.188 -2.417 -2.392) 3.406 4.032 ( -0.421 0.163 0.623) 0.769 4.063 ( 0.373 -1.106 -0.189) 1.183 4.161 ( 0.959 -3.918 -1.424) 4.278 4.200 ( 1.119 1.623 0.630) 2.070 4.369 ( -0.310 -1.466 1.426) 2.069 4.427 ( -0.239 1.872 -0.374) 1.924 4.510 ( 3.238 -4.915 1.248) 6.016 4.629 ( 1.290 2.451 -3.147) 4.192 4.741 ( -0.903 -1.475 0.416) 1.779 4.757 ( -0.261 1.244 -4.898) 5.060 4.792 ( 0.738 -0.053 -3.754) 3.826 5.248 ( 0.162 9.648 -4.121) 10.492 5.545 ( 0.585 -3.553 -4.887) 6.070 6.780 ( 0.072 0.830 3.583) 3.678 6.828 ( 0.040 -1.197 4.661) 4.813 7.555 ( 0.089 1.443 -3.569) 3.851 7.631 ( 0.458 -1.395 -5.313) 5.512 8.154 ( 0.033 4.129 -1.076) 4.267 8.284 ( 0.056 2.921 1.267) 3.184 8.336 ( 0.086 -3.544 -2.441) 4.304 8.429 ( 0.130 -1.366 -0.811) 1.594 8.514 ( 0.277 -0.056 0.010) 0.283 8.575 ( 0.184 -1.381 0.918) 1.668 8.887 ( 0.184 1.021 0.793) 1.306 8.925 ( 0.028 -0.051 0.277) 0.283 8.961 ( 0.562 2.935 -0.812) 3.097 9.131 ( 0.539 -3.153 0.033) 3.199 9.259 ( -0.016 3.400 -4.219) 5.419 9.365 ( -0.240 -1.056 -3.661) 3.818 9.413 ( -0.082 0.580 -3.077) 3.132 9.500 ( -1.011 -2.914 -1.999) 3.676 9.608 ( -0.438 0.648 1.784) 1.948 9.657 ( -0.565 -0.365 -0.586) 0.892 9.768 ( -0.068 0.776 0.024) 0.780 9.791 ( 0.330 0.613 -0.018) 0.696 9.855 ( -0.060 0.828 -0.056) 0.832 9.954 ( -2.001 2.566 1.092) 3.433 9.966 ( -0.168 -4.455 1.839) 4.823 10.019 ( -0.483 -0.606 3.797) 3.875 10.188 ( 1.151 2.438 2.896) 3.957 10.258 ( 0.124 4.066 4.463) 6.038 10.307 ( 2.879 -0.431 5.485) 6.209 10.347 ( 0.349 -0.735 3.038) 3.145 10.424 ( 3.672 -3.954 5.925) 8.014 10.516 ( 1.610 -2.796 1.842) 3.715 10.602 ( 2.310 1.237 0.796) 2.738 10.624 ( 0.112 0.467 -0.988) 1.099 10.824 ( 2.054 1.097 0.447) 2.371 10.911 ( 1.557 -2.476 -0.158) 2.929 11.005 ( 2.860 5.941 0.089) 6.594 11.151 ( 1.634 4.688 2.706) 5.654 11.223 ( 0.396 -1.783 1.309) 2.247 11.273 ( -1.395 -4.751 -2.048) 5.358 11.478 ( -0.105 3.024 -1.259) 3.278 11.569 ( 0.911 0.848 -1.073) 1.644 11.664 ( 0.045 3.654 -1.354) 3.897 11.916 ( 0.058 -5.312 -2.831) 6.020 12.022 ( -0.433 2.677 -1.163) 2.951 12.126 ( -2.873 -2.632 -4.870) 6.237 12.317 ( -3.826 1.117 -2.060) 4.486 12.355 ( -0.903 -0.210 -2.023) 2.226 ======================= Grid point 35 (20/54) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.019 -7.146 7.758) 10.548 0.654 ( -0.019 7.146 7.758) 10.548 0.864 ( 2.258 -6.091 6.660) 9.303 0.864 ( 2.258 6.091 6.660) 9.303 1.168 ( -1.279 -1.771 0.729) 2.303 1.168 ( -1.279 1.771 0.729) 2.303 1.207 ( -1.141 -3.125 2.532) 4.181 1.207 ( -1.141 3.125 2.532) 4.181 1.252 ( 2.212 -2.504 0.818) 3.439 1.252 ( 2.212 2.504 0.818) 3.439 1.465 ( -1.390 -7.651 3.387) 8.482 1.465 ( -1.390 7.651 3.387) 8.482 1.512 ( -0.670 -0.757 3.428) 3.574 1.512 ( -0.670 0.757 3.428) 3.574 1.652 ( 1.214 -5.837 2.141) 6.335 1.652 ( 1.214 5.837 2.141) 6.335 1.836 ( -0.202 -1.440 -1.307) 1.955 1.836 ( -0.202 1.440 -1.307) 1.955 1.986 ( -0.387 -2.111 3.178) 3.835 1.986 ( -0.387 2.111 3.178) 3.835 2.100 ( -1.097 -3.546 4.017) 5.470 2.100 ( -1.097 3.546 4.017) 5.470 2.323 ( 0.636 -1.558 1.825) 2.482 2.323 ( 0.636 1.558 1.825) 2.482 2.430 ( 0.984 -1.863 1.739) 2.732 2.430 ( 0.984 1.863 1.739) 2.732 2.622 ( 0.314 -4.287 2.075) 4.773 2.622 ( 0.314 4.287 2.075) 4.773 2.712 ( -1.013 -1.116 5.912) 6.101 2.712 ( -1.013 1.116 5.912) 6.101 2.913 ( -0.297 -1.219 -2.280) 2.603 2.913 ( -0.297 1.219 -2.280) 2.603 3.018 ( -0.636 -3.512 1.126) 3.743 3.018 ( -0.636 3.512 1.126) 3.743 3.098 ( 0.107 -2.431 0.209) 2.442 3.098 ( 0.107 2.431 0.209) 2.442 3.229 ( -0.383 -8.197 1.561) 8.353 3.229 ( -0.383 8.197 1.561) 8.353 3.297 ( 0.532 -0.523 1.131) 1.355 3.297 ( 0.532 0.523 1.131) 1.355 3.522 ( 0.584 -3.515 0.001) 3.563 3.522 ( 0.584 3.515 0.001) 3.563 3.619 ( -0.779 -1.776 -0.033) 1.939 3.619 ( -0.779 1.776 -0.033) 1.939 3.841 ( 0.293 -3.356 -1.405) 3.650 3.841 ( 0.293 3.356 -1.405) 3.650 3.923 ( -0.085 -11.999 -1.456) 12.088 3.923 ( -0.085 11.999 -1.456) 12.088 4.038 ( -0.371 -1.312 -0.040) 1.364 4.038 ( -0.371 1.312 -0.040) 1.364 4.307 ( -0.601 -3.741 0.923) 3.900 4.307 ( -0.601 3.741 0.923) 3.900 4.477 ( -0.297 -3.461 0.182) 3.479 4.477 ( -0.297 3.461 0.182) 3.479 4.697 ( 1.198 -2.055 -0.364) 2.407 4.697 ( 1.198 2.055 -0.364) 2.407 4.786 ( 0.353 -1.634 -5.191) 5.454 4.786 ( 0.353 1.634 -5.191) 5.454 5.432 ( -0.132 -8.267 -4.760) 9.541 5.432 ( -0.132 8.267 -4.760) 9.541 6.804 ( 0.013 -1.251 4.159) 4.343 6.804 ( 0.013 1.251 4.159) 4.343 7.593 ( 0.064 -2.296 -4.046) 4.652 7.593 ( 0.064 2.296 -4.046) 4.652 8.253 ( 0.163 -5.103 -3.487) 6.183 8.253 ( 0.163 5.103 -3.487) 6.183 8.359 ( -0.311 -4.450 1.856) 4.832 8.359 ( -0.311 4.450 1.856) 4.832 8.542 ( -0.065 -1.887 0.018) 1.888 8.542 ( -0.065 1.887 0.018) 1.888 8.906 ( -0.121 -0.927 0.132) 0.944 8.906 ( -0.121 0.927 0.132) 0.944 9.063 ( 0.382 -3.903 0.064) 3.922 9.063 ( 0.382 3.903 0.064) 3.922 9.312 ( -0.046 -2.605 -4.520) 5.218 9.312 ( -0.046 2.605 -4.520) 5.218 9.449 ( 0.577 -1.668 -2.503) 3.063 9.449 ( 0.577 1.668 -2.503) 3.063 9.608 ( -0.869 -0.631 1.046) 1.499 9.608 ( -0.869 0.631 1.046) 1.499 9.807 ( 1.256 -0.514 2.716) 3.036 9.807 ( 1.256 0.514 2.716) 3.036 9.887 ( -0.769 -2.401 -0.737) 2.627 9.887 ( -0.769 2.401 -0.737) 2.627 9.989 ( 0.439 -2.256 1.554) 2.775 9.989 ( 0.439 2.256 1.554) 2.775 10.257 ( -0.567 -4.271 3.343) 5.454 10.257 ( -0.567 4.271 3.343) 5.454 10.327 ( 0.252 -2.450 3.619) 4.378 10.327 ( 0.252 2.450 3.619) 4.378 10.464 ( 0.693 -4.244 2.332) 4.892 10.464 ( 0.693 4.244 2.332) 4.892 10.635 ( -0.037 -0.590 0.815) 1.007 10.635 ( -0.037 0.590 0.815) 1.007 10.879 ( 0.327 -2.703 -0.186) 2.729 10.879 ( 0.327 2.703 -0.186) 2.729 11.149 ( -1.137 -4.284 -1.318) 4.624 11.149 ( -1.137 4.284 -1.318) 4.624 11.227 ( 0.561 -0.714 1.228) 1.527 11.227 ( 0.561 0.714 1.228) 1.527 11.540 ( 0.591 -3.351 -0.969) 3.538 11.540 ( 0.591 3.351 -0.969) 3.538 11.803 ( -0.433 -2.403 -3.925) 4.622 11.803 ( -0.433 2.403 -3.925) 4.622 12.052 ( -0.197 -1.167 -1.672) 2.049 12.052 ( -0.197 1.167 -1.672) 2.049 12.303 ( -0.838 -2.265 -1.676) 2.940 12.303 ( -0.838 2.265 -1.676) 2.940 ======================= Grid point 37 (21/54) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 2.074 -8.521 6.469) 10.898 0.680 ( 2.074 8.521 6.469) 10.898 0.926 ( 3.470 -4.806 6.539) 8.826 0.926 ( 3.470 4.806 6.539) 8.826 1.123 ( -1.558 -1.695 0.368) 2.331 1.123 ( -1.558 1.695 0.368) 2.331 1.191 ( -1.404 -1.056 1.255) 2.159 1.191 ( -1.404 1.056 1.255) 2.159 1.331 ( 2.734 -0.242 1.545) 3.150 1.331 ( 2.734 0.242 1.545) 3.150 1.439 ( 0.329 -8.093 5.026) 9.533 1.439 ( 0.329 8.093 5.026) 9.533 1.506 ( 0.390 -2.453 1.777) 3.054 1.506 ( 0.390 2.453 1.777) 3.054 1.662 ( 0.037 -4.599 3.360) 5.696 1.662 ( 0.037 4.599 3.360) 5.696 1.835 ( -0.422 -2.409 -0.517) 2.500 1.835 ( -0.422 2.409 -0.517) 2.500 1.987 ( 0.495 -1.458 2.234) 2.714 1.987 ( 0.495 1.458 2.234) 2.714 2.078 ( -1.011 -3.329 4.027) 5.322 2.078 ( -1.011 3.329 4.027) 5.322 2.332 ( 0.104 -1.888 1.567) 2.456 2.332 ( 0.104 1.888 1.567) 2.456 2.444 ( 0.191 -0.874 2.541) 2.694 2.444 ( 0.191 0.874 2.541) 2.694 2.624 ( -0.311 -3.338 2.009) 3.908 2.624 ( -0.311 3.338 2.009) 3.908 2.700 ( -0.254 -1.341 5.315) 5.487 2.700 ( -0.254 1.341 5.315) 5.487 2.906 ( -0.215 -1.726 -2.558) 3.094 2.906 ( -0.215 1.726 -2.558) 3.094 3.007 ( -0.491 -2.123 1.727) 2.780 3.007 ( -0.491 2.123 1.727) 2.780 3.095 ( -0.363 -1.915 0.056) 1.950 3.095 ( -0.363 1.915 0.056) 1.950 3.223 ( -0.239 -8.235 1.272) 8.336 3.223 ( -0.239 8.235 1.272) 8.336 3.307 ( 0.257 -0.446 1.230) 1.333 3.307 ( 0.257 0.446 1.230) 1.333 3.536 ( 0.779 -2.969 -0.523) 3.113 3.536 ( 0.779 2.969 -0.523) 3.113 3.610 ( -0.003 -1.680 0.162) 1.687 3.610 ( -0.003 1.680 0.162) 1.687 3.838 ( -0.481 -5.403 -1.661) 5.672 3.838 ( -0.481 5.403 -1.661) 5.672 3.914 ( -0.576 -11.424 -0.735) 11.462 3.914 ( -0.576 11.424 -0.735) 11.462 4.033 ( -0.065 -1.163 -0.327) 1.210 4.033 ( -0.065 1.163 -0.327) 1.210 4.293 ( -0.697 -3.702 0.961) 3.888 4.293 ( -0.697 3.702 0.961) 3.888 4.453 ( -1.761 -3.462 0.107) 3.886 4.453 ( -1.761 3.462 0.107) 3.886 4.717 ( 0.677 -2.227 -0.492) 2.379 4.717 ( 0.677 2.227 -0.492) 2.379 4.792 ( 0.338 -1.661 -4.661) 4.959 4.792 ( 0.338 1.661 -4.661) 4.959 5.423 ( -0.439 -8.313 -4.670) 9.545 5.423 ( -0.439 8.313 -4.670) 9.545 6.804 ( -0.120 -1.192 4.227) 4.393 6.804 ( -0.120 1.192 4.227) 4.393 7.591 ( -0.063 -2.182 -4.007) 4.563 7.591 ( -0.063 2.182 -4.007) 4.563 8.253 ( 0.006 -5.286 -3.455) 6.315 8.253 ( 0.006 5.286 -3.455) 6.315 8.353 ( -0.243 -4.352 1.976) 4.786 8.353 ( -0.243 4.352 1.976) 4.786 8.538 ( -0.292 -1.834 -0.166) 1.864 8.538 ( -0.292 1.834 -0.166) 1.864 8.907 ( 0.182 -0.649 0.056) 0.676 8.907 ( 0.182 0.649 0.056) 0.676 9.059 ( -0.687 -1.156 0.165) 1.355 9.059 ( -0.687 1.156 0.165) 1.355 9.311 ( 0.150 -2.959 -4.874) 5.704 9.311 ( 0.150 2.959 -4.874) 5.704 9.467 ( 1.180 -1.703 -2.841) 3.517 9.467 ( 1.180 1.703 -2.841) 3.517 9.607 ( 0.673 -0.954 1.288) 1.739 9.607 ( 0.673 0.954 1.288) 1.739 9.824 ( 0.196 -0.694 2.485) 2.587 9.824 ( 0.196 0.694 2.485) 2.587 9.874 ( -0.394 -2.790 0.946) 2.972 9.874 ( -0.394 2.790 0.946) 2.972 10.010 ( 1.480 -2.047 1.528) 2.952 10.010 ( 1.480 2.047 1.528) 2.952 10.231 ( -2.219 -2.511 2.224) 4.021 10.231 ( -2.219 2.511 2.224) 4.021 10.331 ( -0.030 -2.701 4.110) 4.918 10.331 ( -0.030 2.701 4.110) 4.918 10.467 ( -0.474 -3.572 2.438) 4.351 10.467 ( -0.474 3.572 2.438) 4.351 10.621 ( -1.213 -1.304 1.063) 2.074 10.621 ( -1.213 1.304 1.063) 2.074 10.864 ( -1.658 -3.168 0.026) 3.576 10.864 ( -1.658 3.168 0.026) 3.576 11.110 ( -2.063 -5.242 -0.790) 5.689 11.110 ( -2.063 5.242 -0.790) 5.689 11.223 ( -0.685 -1.379 1.107) 1.896 11.223 ( -0.685 1.379 1.107) 1.896 11.550 ( 0.148 -2.384 -0.530) 2.447 11.550 ( 0.148 2.384 -0.530) 2.447 11.772 ( -1.699 -5.312 -2.587) 6.148 11.772 ( -1.699 5.312 -2.587) 6.148 12.072 ( 1.566 -1.720 -3.115) 3.887 12.072 ( 1.566 1.720 -3.115) 3.887 12.319 ( 2.187 -1.371 -1.895) 3.202 12.319 ( 2.187 1.371 -1.895) 3.202 ======================= Grid point 39 (22/54) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 1.264 -11.456 7.077) 13.525 0.718 ( 1.264 11.456 7.077) 13.525 0.979 ( 1.285 -4.942 2.347) 5.620 0.979 ( 1.285 4.942 2.347) 5.620 1.101 ( -1.629 -1.218 1.419) 2.480 1.101 ( -1.629 1.218 1.419) 2.480 1.171 ( -0.165 -1.900 1.599) 2.489 1.171 ( -0.165 1.900 1.599) 2.489 1.318 ( -1.486 -4.175 3.073) 5.393 1.318 ( -1.486 4.175 3.073) 5.393 1.462 ( 0.808 -5.494 5.547) 7.849 1.462 ( 0.808 5.494 5.547) 7.849 1.552 ( 1.862 -7.449 2.937) 8.221 1.552 ( 1.862 7.449 2.937) 8.221 1.678 ( 1.879 -2.345 -0.449) 3.038 1.678 ( 1.879 2.345 -0.449) 3.038 1.809 ( -1.694 -4.249 1.947) 4.972 1.809 ( -1.694 4.249 1.947) 4.972 2.001 ( 0.744 -2.041 2.180) 3.078 2.001 ( 0.744 2.041 2.180) 3.078 2.074 ( 0.454 -2.827 3.037) 4.174 2.074 ( 0.454 2.827 3.037) 4.174 2.324 ( -0.902 -1.590 0.190) 1.838 2.324 ( -0.902 1.590 0.190) 1.838 2.438 ( -0.766 -1.788 3.474) 3.981 2.438 ( -0.766 1.788 3.474) 3.981 2.611 ( -0.842 -3.402 1.741) 3.913 2.611 ( -0.842 3.402 1.741) 3.913 2.706 ( 0.562 -1.100 5.847) 5.976 2.706 ( 0.562 1.100 5.847) 5.976 2.909 ( 0.622 -1.978 -1.853) 2.780 2.909 ( 0.622 1.978 -1.853) 2.780 3.002 ( -0.054 -1.266 2.300) 2.626 3.002 ( -0.054 1.266 2.300) 2.626 3.086 ( -0.533 -1.780 -0.096) 1.861 3.086 ( -0.533 1.780 -0.096) 1.861 3.225 ( 0.421 -7.161 1.241) 7.280 3.225 ( 0.421 7.161 1.241) 7.280 3.306 ( -0.365 -0.770 0.836) 1.194 3.306 ( -0.365 0.770 0.836) 1.194 3.546 ( 0.122 -3.000 -1.507) 3.359 3.546 ( 0.122 3.000 -1.507) 3.359 3.618 ( 0.602 -1.961 0.455) 2.101 3.618 ( 0.602 1.961 0.455) 2.101 3.826 ( -0.535 -6.873 -1.520) 7.059 3.826 ( -0.535 6.873 -1.520) 7.059 3.909 ( 0.011 -9.506 0.075) 9.506 3.909 ( 0.011 9.506 0.075) 9.506 4.036 ( 0.303 -0.805 -0.224) 0.889 4.036 ( 0.303 0.805 -0.224) 0.889 4.285 ( -0.121 -4.578 1.174) 4.728 4.285 ( -0.121 4.578 1.174) 4.728 4.426 ( -0.823 -1.810 -0.152) 1.994 4.426 ( -0.823 1.810 -0.152) 1.994 4.719 ( -0.420 -3.133 -0.981) 3.310 4.719 ( -0.420 3.133 -0.981) 3.310 4.793 ( -0.094 -1.108 -4.160) 4.306 4.793 ( -0.094 1.108 -4.160) 4.306 5.417 ( 0.025 -8.104 -4.521) 9.280 5.417 ( 0.025 8.104 -4.521) 9.280 6.803 ( -0.195 -1.226 4.204) 4.384 6.803 ( -0.195 1.226 4.204) 4.384 7.589 ( -0.000 -2.022 -3.952) 4.439 7.589 ( -0.000 2.022 -3.952) 4.439 8.251 ( -0.045 -5.245 -3.240) 6.165 8.251 ( -0.045 5.245 -3.240) 6.165 8.353 ( 0.090 -4.318 1.921) 4.727 8.353 ( 0.090 4.318 1.921) 4.727 8.534 ( -0.120 -1.869 -0.262) 1.891 8.534 ( -0.120 1.869 -0.262) 1.891 8.911 ( 0.243 -0.739 0.014) 0.778 8.911 ( 0.243 0.739 0.014) 0.778 9.044 ( -0.699 -1.826 0.106) 1.958 9.044 ( -0.699 1.826 0.106) 1.958 9.313 ( 0.278 -3.285 -5.323) 6.261 9.313 ( 0.278 3.285 -5.323) 6.261 9.479 ( -0.024 -2.369 -2.997) 3.820 9.479 ( -0.024 2.369 -2.997) 3.820 9.631 ( 1.632 -1.361 1.466) 2.582 9.631 ( 1.632 1.361 1.466) 2.582 9.809 ( -1.554 -1.975 0.451) 2.553 9.809 ( -1.554 1.975 0.451) 2.553 9.879 ( 0.661 -2.545 3.069) 4.042 9.879 ( 0.661 2.545 3.069) 4.042 10.036 ( 0.830 -1.581 2.714) 3.248 10.036 ( 0.830 1.581 2.714) 3.248 10.187 ( -1.781 -0.478 2.294) 2.943 10.187 ( -1.781 0.478 2.294) 2.943 10.330 ( -0.241 -2.790 4.298) 5.129 10.330 ( -0.241 2.790 4.298) 5.129 10.451 ( -1.004 -3.165 1.838) 3.795 10.451 ( -1.004 3.165 1.838) 3.795 10.603 ( -0.485 -2.046 0.785) 2.245 10.603 ( -0.485 2.046 0.785) 2.245 10.835 ( -1.057 -3.016 0.006) 3.196 10.835 ( -1.057 3.016 0.006) 3.196 11.090 ( -0.048 -6.935 -0.212) 6.939 11.090 ( -0.048 6.935 -0.212) 6.939 11.213 ( -0.385 -2.032 1.275) 2.429 11.213 ( -0.385 2.032 1.275) 2.429 11.545 ( -0.401 -1.092 -0.700) 1.357 11.545 ( -0.401 1.092 -0.700) 1.357 11.756 ( -0.020 -6.705 -0.942) 6.771 11.756 ( -0.020 6.705 -0.942) 6.771 12.092 ( 0.690 -3.005 -3.511) 4.673 12.092 ( 0.690 3.005 -3.511) 4.673 12.359 ( 1.651 -0.396 -2.150) 2.740 12.359 ( 1.651 0.396 -2.150) 2.740 ======================= Grid point 41 (23/54) ======================= q-point: (-0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -1.381 -13.259 7.912) 15.502 0.720 ( -1.381 13.259 7.912) 15.502 0.939 ( -4.995 -7.504 1.827) 9.197 0.939 ( -4.995 7.504 1.827) 9.197 1.090 ( 1.148 -2.732 1.538) 3.339 1.090 ( 1.148 2.732 1.538) 3.339 1.194 ( 1.944 -1.060 2.137) 3.077 1.194 ( 1.944 1.060 2.137) 3.077 1.314 ( 0.682 -1.027 2.805) 3.064 1.314 ( 0.682 1.027 2.805) 3.064 1.477 ( -0.747 -2.620 7.550) 8.027 1.477 ( -0.747 2.620 7.550) 8.027 1.544 ( -0.692 -4.882 0.606) 4.968 1.544 ( -0.692 4.882 0.606) 4.968 1.663 ( -3.289 -0.718 -0.589) 3.418 1.663 ( -3.289 0.718 -0.589) 3.418 1.824 ( 2.236 -3.556 1.811) 4.574 1.824 ( 2.236 3.556 1.811) 4.574 2.009 ( -0.263 -2.085 2.724) 3.441 2.009 ( -0.263 2.085 2.724) 3.441 2.093 ( 1.244 -2.568 2.790) 3.991 2.093 ( 1.244 2.568 2.790) 3.991 2.307 ( -0.500 -0.569 -0.666) 1.008 2.307 ( -0.500 0.569 -0.666) 1.008 2.423 ( -0.788 -2.959 3.324) 4.519 2.423 ( -0.788 2.959 3.324) 4.519 2.605 ( 0.172 -4.292 1.711) 4.624 2.605 ( 0.172 4.292 1.711) 4.624 2.719 ( 0.487 -0.896 6.353) 6.435 2.719 ( 0.487 0.896 6.353) 6.435 2.919 ( 0.287 -1.796 -0.859) 2.012 2.919 ( 0.287 1.796 -0.859) 2.012 3.008 ( 0.634 -2.438 1.988) 3.209 3.008 ( 0.634 2.438 1.988) 3.209 3.081 ( 0.128 -2.254 -0.141) 2.262 3.081 ( 0.128 2.254 -0.141) 2.262 3.234 ( 0.293 -6.406 1.606) 6.611 3.234 ( 0.293 6.406 1.606) 6.611 3.299 ( -0.290 -0.943 0.539) 1.124 3.299 ( -0.290 0.943 0.539) 1.124 3.537 ( -0.886 -3.491 -1.681) 3.975 3.537 ( -0.886 3.491 -1.681) 3.975 3.628 ( 0.410 -2.166 0.358) 2.233 3.628 ( 0.410 2.166 0.358) 2.233 3.823 ( 0.222 -5.698 -1.174) 5.822 3.823 ( 0.222 5.698 -1.174) 5.822 3.912 ( 0.282 -8.997 0.024) 9.002 3.912 ( 0.282 8.997 0.024) 9.002 4.042 ( 0.300 -0.906 0.142) 0.965 4.042 ( 0.300 0.906 0.142) 0.965 4.292 ( 0.835 -5.281 1.207) 5.481 4.292 ( 0.835 5.281 1.207) 5.481 4.427 ( 0.964 -0.612 -0.162) 1.153 4.427 ( 0.964 0.612 -0.162) 1.153 4.704 ( -1.014 -3.630 -1.076) 3.920 4.704 ( -1.014 3.630 -1.076) 3.920 4.788 ( -0.195 -0.619 -4.470) 4.517 4.788 ( -0.195 0.619 -4.470) 4.517 5.421 ( 0.472 -7.914 -4.453) 9.094 5.421 ( 0.472 7.914 -4.453) 9.094 6.801 ( -0.099 -1.300 4.132) 4.332 6.801 ( -0.099 1.300 4.132) 4.332 7.589 ( 0.152 -2.020 -3.946) 4.436 7.589 ( 0.152 2.020 -3.946) 4.436 8.250 ( 0.019 -5.085 -3.137) 5.975 8.250 ( 0.019 5.085 -3.137) 5.975 8.357 ( 0.253 -4.390 1.824) 4.760 8.357 ( 0.253 4.390 1.824) 4.760 8.534 ( 0.190 -1.950 -0.149) 1.965 8.534 ( 0.190 1.950 -0.149) 1.965 8.914 ( -0.024 -1.098 0.095) 1.103 8.914 ( -0.024 1.098 0.095) 1.103 9.038 ( 0.077 -3.976 -0.090) 3.978 9.038 ( 0.077 3.976 -0.090) 3.978 9.316 ( 0.136 -3.251 -5.272) 6.196 9.316 ( 0.136 3.251 -5.272) 6.196 9.468 ( -0.855 -2.664 -2.649) 3.853 9.468 ( -0.855 2.664 -2.649) 3.853 9.653 ( 0.179 -0.424 1.428) 1.500 9.653 ( 0.179 0.424 1.428) 1.500 9.782 ( -0.931 -0.650 0.166) 1.147 9.782 ( -0.931 0.650 0.166) 1.147 9.892 ( 0.523 -2.709 1.739) 3.261 9.892 ( 0.523 2.709 1.739) 3.261 10.028 ( -1.608 -1.206 2.863) 3.498 10.028 ( -1.608 1.206 2.863) 3.498 10.193 ( 2.194 -1.373 4.048) 4.805 10.193 ( 2.194 1.373 4.048) 4.805 10.326 ( -0.231 -2.715 4.049) 4.881 10.326 ( -0.231 2.715 4.049) 4.881 10.439 ( -0.258 -3.511 1.271) 3.743 10.439 ( -0.258 3.511 1.271) 3.743 10.606 ( 0.647 -1.721 0.491) 1.903 10.606 ( 0.647 1.721 0.491) 1.903 10.831 ( 0.628 -2.625 -0.229) 2.708 10.831 ( 0.628 2.625 -0.229) 2.708 11.102 ( 1.236 -7.437 -0.060) 7.540 11.102 ( 1.236 7.437 -0.060) 7.540 11.210 ( -0.016 -2.598 1.489) 2.995 11.210 ( -0.016 2.598 1.489) 2.995 11.539 ( -0.184 -1.933 -1.056) 2.210 11.539 ( -0.184 1.933 -1.056) 2.210 11.764 ( 0.816 -6.930 -0.523) 6.997 11.764 ( 0.816 6.930 -0.523) 6.997 12.095 ( -0.333 -3.239 -3.148) 4.529 12.095 ( -0.333 3.239 -3.148) 4.529 12.370 ( -0.441 -0.281 -2.157) 2.220 12.370 ( -0.441 0.281 -2.157) 2.220 ======================= Grid point 43 (24/54) ======================= q-point: (-0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -2.628 -11.141 8.527) 14.273 0.680 ( -2.628 11.141 8.527) 14.273 0.860 ( -2.378 -8.482 4.123) 9.726 0.860 ( -2.378 8.482 4.123) 9.726 1.129 ( 2.683 -0.959 1.517) 3.228 1.129 ( 2.683 0.959 1.517) 3.228 1.222 ( 0.786 -1.151 1.674) 2.178 1.222 ( 0.786 1.151 1.674) 2.178 1.298 ( -4.020 -2.731 1.614) 5.121 1.298 ( -4.020 2.731 1.614) 5.121 1.454 ( 0.715 -3.990 5.520) 6.848 1.454 ( 0.715 3.990 5.520) 6.848 1.542 ( -1.568 -3.584 4.937) 6.299 1.542 ( -1.568 3.584 4.937) 6.299 1.626 ( 0.558 -7.158 -2.520) 7.609 1.626 ( 0.558 7.158 -2.520) 7.609 1.844 ( -0.168 -2.514 0.796) 2.642 1.844 ( -0.168 2.514 0.796) 2.642 1.997 ( -0.840 -1.946 3.297) 3.919 1.997 ( -0.840 1.946 3.297) 3.919 2.109 ( 0.102 -3.222 3.327) 4.633 2.109 ( 0.102 3.222 3.327) 4.633 2.310 ( 0.604 -0.849 0.241) 1.069 2.310 ( 0.604 0.849 0.241) 1.069 2.417 ( 0.137 -3.076 2.239) 3.807 2.417 ( 0.137 3.076 2.239) 3.807 2.613 ( 0.495 -4.683 1.821) 5.049 2.613 ( 0.495 4.683 1.821) 5.049 2.724 ( -0.326 -0.853 6.484) 6.548 2.724 ( -0.326 0.853 6.484) 6.548 2.918 ( -0.234 -1.374 -1.345) 1.937 2.918 ( -0.234 1.374 -1.345) 1.937 3.021 ( 0.391 -3.598 1.377) 3.873 3.021 ( 0.391 3.598 1.377) 3.873 3.090 ( 0.658 -2.678 0.144) 2.761 3.090 ( 0.658 2.678 0.144) 2.761 3.235 ( -0.231 -7.110 1.859) 7.353 3.235 ( -0.231 7.110 1.859) 7.353 3.294 ( -0.211 -0.548 0.543) 0.800 3.294 ( -0.211 0.548 0.543) 0.800 3.521 ( -0.517 -3.864 -0.734) 3.966 3.521 ( -0.517 3.864 -0.734) 3.966 3.630 ( -0.249 -2.042 0.078) 2.059 3.630 ( -0.249 2.042 0.078) 2.059 3.831 ( 0.628 -3.122 -1.174) 3.394 3.831 ( 0.628 3.122 -1.174) 3.394 3.919 ( 0.418 -10.510 -0.662) 10.539 3.919 ( 0.418 10.510 -0.662) 10.539 4.044 ( -0.161 -1.129 0.179) 1.154 4.044 ( -0.161 1.129 0.179) 1.154 4.308 ( 0.490 -4.547 0.870) 4.655 4.308 ( 0.490 4.547 0.870) 4.655 4.458 ( 1.912 -1.399 0.319) 2.391 4.458 ( 1.912 1.399 0.319) 2.391 4.688 ( -0.370 -3.109 -0.934) 3.268 4.688 ( -0.370 3.109 -0.934) 3.268 4.784 ( 0.025 -0.883 -4.934) 5.013 4.784 ( 0.025 0.883 -4.934) 5.013 5.429 ( 0.492 -7.976 -4.576) 9.209 5.429 ( 0.492 7.976 -4.576) 9.209 6.802 ( 0.021 -1.316 4.103) 4.309 6.802 ( 0.021 1.316 4.103) 4.309 7.591 ( 0.212 -2.183 -3.998) 4.560 7.591 ( 0.212 2.183 -3.998) 4.560 8.250 ( 0.159 -4.971 -3.267) 5.950 8.250 ( 0.159 4.971 -3.267) 5.950 8.361 ( 0.040 -4.459 1.770) 4.797 8.361 ( 0.040 4.459 1.770) 4.797 8.540 ( 0.296 -1.968 0.045) 1.990 8.540 ( 0.296 1.968 0.045) 1.990 8.910 ( -0.289 -1.195 0.161) 1.240 8.910 ( -0.289 1.195 0.161) 1.240 9.048 ( 0.923 -5.047 -0.087) 5.131 9.048 ( 0.923 5.047 -0.087) 5.131 9.315 ( -0.067 -2.802 -4.782) 5.543 9.315 ( -0.067 2.802 -4.782) 5.543 9.451 ( -0.633 -2.251 -2.445) 3.383 9.451 ( -0.633 2.251 -2.445) 3.383 9.635 ( -1.725 -1.657 1.150) 2.654 9.635 ( -1.725 1.657 1.150) 2.654 9.784 ( 0.914 -0.938 1.222) 1.791 9.784 ( 0.914 0.938 1.222) 1.791 9.897 ( -0.125 -2.727 -0.257) 2.742 9.897 ( -0.125 2.727 -0.257) 2.742 9.997 ( -1.331 -1.609 2.100) 2.962 9.997 ( -1.331 1.609 2.100) 2.962 10.242 ( 2.056 -3.418 5.186) 6.542 10.242 ( 2.056 3.418 5.186) 6.542 10.324 ( -0.105 -2.275 3.259) 3.976 10.324 ( -0.105 2.275 3.259) 3.976 10.446 ( 0.871 -3.960 1.689) 4.392 10.446 ( 0.871 3.960 1.689) 4.392 10.623 ( 1.021 -0.678 0.477) 1.315 10.623 ( 1.021 0.678 0.477) 1.315 10.856 ( 1.772 -2.588 -0.380) 3.159 10.856 ( 1.772 2.588 -0.380) 3.159 11.136 ( 2.086 -6.481 -0.747) 6.850 11.136 ( 2.086 6.481 -0.747) 6.850 11.213 ( 0.384 -1.996 1.666) 2.628 11.213 ( 0.384 1.996 1.666) 2.628 11.537 ( -0.069 -2.830 -1.301) 3.115 11.537 ( -0.069 2.830 -1.301) 3.115 11.786 ( 1.518 -7.179 -1.660) 7.523 11.786 ( 1.518 7.179 -1.660) 7.523 12.076 ( -1.481 -2.565 -2.437) 3.836 12.076 ( -1.481 2.565 -2.437) 3.836 12.341 ( -2.376 -1.143 -2.052) 3.341 12.341 ( -2.376 1.143 -2.052) 3.341 ======================= Grid point 50 (25/54) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -4.315 0.000 20.180) 20.636 0.783 ( -1.806 0.000 14.090) 14.205 1.017 ( 1.548 0.000 4.625) 4.877 1.107 ( -0.078 0.000 0.108) 0.133 1.124 ( 2.080 0.000 11.933) 12.113 1.152 ( 0.524 0.000 0.143) 0.543 1.219 ( 1.244 0.000 1.222) 1.744 1.285 ( 0.166 0.000 -0.775) 0.793 1.287 ( -0.046 0.000 2.056) 2.056 1.367 ( 0.555 0.000 5.204) 5.233 1.414 ( -2.588 0.000 2.477) 3.582 1.429 ( -2.352 0.000 1.753) 2.934 1.570 ( 0.016 0.000 -1.115) 1.115 1.606 ( 4.436 0.000 -4.405) 6.252 1.749 ( -1.648 0.000 1.460) 2.202 1.798 ( 3.978 0.000 1.995) 4.450 1.885 ( 0.387 0.000 -4.377) 4.394 1.984 ( -0.306 0.000 6.034) 6.042 1.985 ( -0.447 0.000 -3.020) 3.052 2.186 ( -1.206 0.000 9.378) 9.455 2.234 ( 1.060 0.000 -0.284) 1.097 2.283 ( -0.404 0.000 4.725) 4.742 2.300 ( -1.189 0.000 4.801) 4.946 2.306 ( -0.721 0.000 -5.836) 5.880 2.411 ( -1.023 0.000 1.506) 1.820 2.427 ( -0.258 0.000 -4.146) 4.154 2.504 ( 1.989 0.000 8.083) 8.324 2.772 ( 0.143 0.000 0.350) 0.378 2.777 ( -0.504 0.000 -3.405) 3.442 2.886 ( -0.074 0.000 8.166) 8.166 2.891 ( -0.644 0.000 -2.725) 2.800 2.955 ( -1.367 0.000 7.475) 7.599 2.995 ( 0.818 0.000 0.010) 0.818 3.026 ( -0.869 0.000 9.567) 9.607 3.169 ( -0.102 0.000 0.792) 0.798 3.171 ( -0.515 0.000 0.756) 0.915 3.199 ( -0.383 0.000 1.371) 1.424 3.267 ( 0.067 0.000 -1.121) 1.123 3.335 ( 0.131 0.000 -0.742) 0.753 3.350 ( 0.815 0.000 1.443) 1.658 3.423 ( -1.227 0.000 12.518) 12.578 3.528 ( 0.726 0.000 -1.736) 1.881 3.652 ( 0.076 0.000 3.918) 3.918 3.675 ( 0.602 0.000 -0.696) 0.920 3.741 ( -2.515 0.000 1.066) 2.732 3.870 ( 0.373 0.000 -3.743) 3.762 3.954 ( -0.352 0.000 6.171) 6.181 3.990 ( 1.017 0.000 -2.927) 3.099 4.095 ( -0.132 0.000 0.463) 0.481 4.095 ( -1.161 0.000 4.659) 4.802 4.266 ( 0.461 0.000 -1.510) 1.579 4.307 ( -2.247 0.000 -2.751) 3.552 4.433 ( -0.740 0.000 1.089) 1.317 4.468 ( 1.634 0.000 -11.755) 11.868 4.560 ( 0.008 0.000 -8.154) 8.154 4.669 ( 2.327 0.000 -1.187) 2.613 4.704 ( 1.110 0.000 -2.637) 2.862 4.878 ( -0.820 0.000 5.236) 5.300 4.963 ( -0.300 0.000 -9.660) 9.665 5.447 ( 0.366 0.000 -8.243) 8.251 6.881 ( 0.046 0.000 6.683) 6.683 6.973 ( -0.118 0.000 7.555) 7.556 7.418 ( 0.140 0.000 -7.641) 7.642 7.503 ( 0.230 0.000 -7.657) 7.660 8.134 ( -0.072 0.000 1.444) 1.446 8.268 ( -0.168 0.000 0.511) 0.538 8.331 ( 0.227 0.000 -4.027) 4.033 8.378 ( 0.150 0.000 -0.965) 0.977 8.536 ( -0.184 0.000 0.538) 0.568 8.596 ( -0.188 0.000 -0.527) 0.560 8.880 ( 0.001 0.000 -0.426) 0.426 8.915 ( -0.161 0.000 -0.450) 0.478 9.020 ( 4.656 0.000 -0.430) 4.675 9.124 ( -2.406 0.000 -0.770) 2.526 9.162 ( 0.602 0.000 -2.679) 2.745 9.291 ( -1.086 0.000 -5.142) 5.256 9.324 ( 0.233 0.000 -1.224) 1.246 9.456 ( -1.198 0.000 -3.276) 3.489 9.625 ( -1.545 0.000 0.197) 1.557 9.647 ( 1.345 0.000 0.404) 1.404 9.752 ( 1.823 0.000 1.795) 2.559 9.794 ( -0.930 0.000 0.393) 1.009 9.866 ( -0.142 0.000 -1.766) 1.772 9.880 ( 1.048 0.000 -0.987) 1.440 10.013 ( 0.186 0.000 -2.461) 2.468 10.075 ( 0.253 0.000 1.325) 1.349 10.280 ( -0.149 0.000 4.436) 4.439 10.320 ( -1.120 0.000 4.187) 4.334 10.351 ( -0.353 0.000 9.054) 9.061 10.429 ( 0.032 0.000 2.247) 2.247 10.516 ( 0.508 0.000 -2.351) 2.405 10.544 ( -0.185 0.000 -0.311) 0.362 10.629 ( 0.301 0.000 1.282) 1.317 10.765 ( -0.331 0.000 -1.358) 1.398 10.946 ( 0.557 0.000 0.780) 0.958 10.971 ( -3.163 0.000 0.584) 3.217 10.983 ( -2.299 0.000 0.741) 2.416 11.150 ( -0.136 0.000 2.377) 2.381 11.267 ( -0.566 0.000 1.247) 1.370 11.347 ( 11.755 0.000 -0.381) 11.761 11.469 ( 1.748 0.000 1.430) 2.259 11.527 ( -1.974 0.000 1.768) 2.650 11.587 ( 1.024 0.000 -2.478) 2.681 11.710 ( -7.764 0.000 -4.287) 8.869 11.982 ( 0.036 0.000 -0.397) 0.399 12.035 ( -1.150 0.000 -2.070) 2.368 12.268 ( 0.632 0.000 0.235) 0.674 12.315 ( -0.140 0.000 -1.795) 1.801 ======================= Grid point 51 (26/54) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 1.234 0.000 15.510) 15.559 0.805 ( 3.389 0.000 12.813) 13.253 1.058 ( 1.165 0.000 4.096) 4.258 1.111 ( 0.130 0.000 1.080) 1.088 1.153 ( 0.518 0.000 4.765) 4.793 1.162 ( 0.717 0.000 0.315) 0.784 1.214 ( -2.532 0.000 -2.132) 3.310 1.251 ( -3.187 0.000 3.052) 4.413 1.330 ( 5.034 0.000 3.710) 6.254 1.353 ( 0.114 0.000 1.329) 1.334 1.385 ( -2.836 0.000 4.340) 5.184 1.431 ( 2.119 0.000 4.842) 5.285 1.558 ( -0.636 0.000 1.261) 1.412 1.697 ( 4.622 0.000 -1.704) 4.926 1.730 ( -0.253 0.000 0.235) 0.346 1.851 ( 0.303 0.000 3.075) 3.090 1.862 ( -2.268 0.000 -7.190) 7.540 1.987 ( 0.582 0.000 -3.369) 3.419 1.991 ( 1.071 0.000 6.131) 6.224 2.162 ( -1.352 0.000 8.949) 9.050 2.243 ( -0.406 0.000 0.723) 0.829 2.274 ( 0.100 0.000 2.003) 2.005 2.286 ( -0.298 0.000 5.707) 5.715 2.308 ( 0.520 0.000 -3.320) 3.360 2.397 ( -0.216 0.000 1.305) 1.322 2.421 ( -0.145 0.000 -4.111) 4.114 2.528 ( -0.031 0.000 7.661) 7.661 2.781 ( 0.985 0.000 -2.879) 3.043 2.782 ( 0.751 0.000 0.238) 0.788 2.876 ( -1.083 0.000 8.261) 8.331 2.885 ( 0.191 0.000 -1.903) 1.913 2.926 ( -1.515 0.000 7.934) 8.077 2.991 ( -1.152 0.000 0.212) 1.171 3.018 ( -0.274 0.000 8.761) 8.765 3.160 ( -0.558 0.000 0.453) 0.719 3.175 ( 0.748 0.000 1.232) 1.442 3.193 ( -0.252 0.000 2.205) 2.219 3.270 ( 0.206 0.000 -1.554) 1.568 3.340 ( 0.331 0.000 -0.802) 0.868 3.341 ( -1.560 0.000 1.885) 2.447 3.417 ( 0.148 0.000 11.111) 11.112 3.537 ( 0.134 0.000 -1.205) 1.212 3.615 ( -2.862 0.000 3.729) 4.701 3.680 ( -0.160 0.000 -0.867) 0.881 3.735 ( 1.320 0.000 1.932) 2.339 3.872 ( -0.028 0.000 -3.629) 3.629 3.948 ( -0.434 0.000 6.094) 6.110 4.003 ( 0.215 0.000 -2.532) 2.541 4.084 ( -0.135 0.000 6.191) 6.192 4.093 ( -0.014 0.000 0.353) 0.353 4.273 ( 0.455 0.000 -2.997) 3.031 4.276 ( -0.597 0.000 -3.240) 3.294 4.399 ( -2.426 0.000 2.086) 3.199 4.471 ( -0.718 0.000 -10.368) 10.393 4.557 ( 0.010 0.000 -9.570) 9.570 4.700 ( 0.459 0.000 -1.441) 1.512 4.722 ( 0.637 0.000 -2.234) 2.323 4.863 ( -0.557 0.000 5.899) 5.925 4.964 ( 0.736 0.000 -9.806) 9.833 5.448 ( 0.089 0.000 -8.177) 8.178 6.881 ( -0.256 0.000 6.688) 6.693 6.973 ( -0.186 0.000 7.673) 7.676 7.419 ( 0.239 0.000 -7.714) 7.717 7.502 ( -0.003 0.000 -7.657) 7.657 8.133 ( -0.060 0.000 1.432) 1.433 8.264 ( -0.208 0.000 0.586) 0.622 8.333 ( 0.121 0.000 -4.065) 4.067 8.377 ( -0.208 0.000 -1.093) 1.112 8.531 ( -0.265 0.000 0.535) 0.596 8.590 ( -0.292 0.000 -0.512) 0.590 8.881 ( 0.047 0.000 -0.116) 0.125 8.912 ( -0.061 0.000 -0.439) 0.443 9.017 ( -3.490 0.000 -1.090) 3.657 9.156 ( 3.989 0.000 -1.839) 4.393 9.157 ( -0.934 0.000 -3.688) 3.804 9.286 ( 0.651 0.000 -2.068) 2.169 9.329 ( 0.361 0.000 -3.215) 3.235 9.442 ( -0.059 0.000 -2.591) 2.591 9.598 ( -1.008 0.000 0.369) 1.074 9.669 ( 0.639 0.000 1.363) 1.506 9.767 ( -1.205 0.000 -0.081) 1.208 9.783 ( 1.059 0.000 1.255) 1.642 9.882 ( 1.366 0.000 -1.931) 2.365 9.915 ( 2.353 0.000 -1.587) 2.838 10.011 ( -0.351 0.000 -1.819) 1.852 10.081 ( 0.327 0.000 1.586) 1.620 10.278 ( -0.242 0.000 4.371) 4.377 10.306 ( -0.454 0.000 5.619) 5.638 10.356 ( 0.490 0.000 8.427) 8.441 10.426 ( -0.379 0.000 2.246) 2.278 10.529 ( 0.738 0.000 -1.267) 1.466 10.541 ( -0.048 0.000 -0.615) 0.617 10.624 ( -0.917 0.000 1.735) 1.962 10.760 ( -12.657 0.000 6.921) 14.426 10.764 ( 0.199 0.000 -1.073) 1.091 10.946 ( -0.589 0.000 0.845) 1.030 10.982 ( 0.160 0.000 1.930) 1.936 11.148 ( -0.108 0.000 2.448) 2.450 11.259 ( -0.181 0.000 1.047) 1.062 11.464 ( -1.833 0.000 1.143) 2.160 11.472 ( -0.824 0.000 -3.821) 3.908 11.534 ( 2.257 0.000 2.412) 3.303 11.555 ( -2.601 0.000 -2.639) 3.706 11.742 ( 8.940 0.000 -6.522) 11.066 11.982 ( -0.076 0.000 -0.289) 0.299 12.016 ( -0.385 0.000 -1.817) 1.857 12.296 ( 1.933 0.000 -0.482) 1.992 12.313 ( 0.055 0.000 -1.779) 1.780 ======================= Grid point 52 (27/54) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 4.494 0.000 7.956) 9.138 0.902 ( 6.001 0.000 8.121) 10.097 1.018 ( -4.416 0.000 3.811) 5.833 1.094 ( -2.614 0.000 3.807) 4.618 1.166 ( 0.470 0.000 1.998) 2.052 1.173 ( -0.312 0.000 0.712) 0.777 1.205 ( 1.825 0.000 0.087) 1.827 1.212 ( -0.080 0.000 1.836) 1.838 1.318 ( -3.514 0.000 4.319) 5.568 1.363 ( -1.764 0.000 -1.204) 2.136 1.366 ( 1.055 0.000 -0.010) 1.055 1.486 ( 2.136 0.000 8.294) 8.565 1.584 ( 3.127 0.000 3.091) 4.397 1.732 ( -1.753 0.000 1.409) 2.249 1.737 ( 0.348 0.000 -1.531) 1.570 1.811 ( -3.238 0.000 5.766) 6.613 1.834 ( 0.316 0.000 -7.177) 7.184 1.996 ( 0.532 0.000 -5.148) 5.175 2.010 ( -0.001 0.000 5.965) 5.965 2.151 ( 0.100 0.000 9.024) 9.024 2.228 ( -1.023 0.000 0.865) 1.340 2.291 ( 1.301 0.000 3.896) 4.107 2.294 ( 0.731 0.000 7.511) 7.547 2.310 ( -0.122 0.000 -4.399) 4.401 2.406 ( 0.917 0.000 0.866) 1.261 2.421 ( 0.359 0.000 -4.541) 4.555 2.512 ( -1.675 0.000 6.274) 6.494 2.792 ( 0.247 0.000 0.710) 0.752 2.802 ( 1.040 0.000 -2.752) 2.942 2.856 ( -1.069 0.000 7.906) 7.978 2.895 ( 0.793 0.000 -1.822) 1.987 2.920 ( 0.712 0.000 7.874) 7.906 2.966 ( -1.186 0.000 0.045) 1.187 3.023 ( 0.441 0.000 8.042) 8.054 3.148 ( -0.553 0.000 0.787) 0.962 3.192 ( 0.039 0.000 2.438) 2.438 3.197 ( 1.226 0.000 1.219) 1.729 3.270 ( -0.078 0.000 -1.969) 1.970 3.312 ( -1.260 0.000 2.365) 2.679 3.344 ( 0.061 0.000 -0.670) 0.672 3.429 ( 0.568 0.000 11.387) 11.401 3.530 ( -0.687 0.000 -1.443) 1.598 3.586 ( -0.336 0.000 4.474) 4.487 3.670 ( -0.661 0.000 -1.075) 1.262 3.768 ( 1.763 0.000 1.710) 2.456 3.868 ( -0.297 0.000 -3.652) 3.664 3.944 ( -0.165 0.000 6.919) 6.921 3.994 ( -0.888 0.000 -2.036) 2.221 4.093 ( 0.778 0.000 6.264) 6.312 4.094 ( 0.070 0.000 0.437) 0.442 4.280 ( 0.143 0.000 -3.387) 3.390 4.288 ( 1.965 0.000 -5.011) 5.383 4.359 ( -1.347 0.000 1.979) 2.394 4.446 ( -1.380 0.000 -9.546) 9.646 4.552 ( -0.156 0.000 -9.556) 9.557 4.683 ( -1.825 0.000 1.103) 2.132 4.721 ( -0.568 0.000 -2.081) 2.157 4.868 ( 0.669 0.000 5.416) 5.457 4.978 ( 0.945 0.000 -9.717) 9.763 5.445 ( -0.102 0.000 -8.183) 8.184 6.877 ( -0.349 0.000 6.709) 6.719 6.972 ( -0.201 0.000 7.747) 7.749 7.421 ( 0.204 0.000 -7.739) 7.741 7.499 ( -0.045 0.000 -7.681) 7.681 8.134 ( 0.026 0.000 1.498) 1.498 8.262 ( 0.030 0.000 0.541) 0.542 8.332 ( -0.046 0.000 -4.025) 4.025 8.372 ( -0.236 0.000 -1.219) 1.242 8.528 ( -0.003 0.000 0.596) 0.596 8.587 ( 0.027 0.000 -0.576) 0.577 8.881 ( 0.000 0.000 0.279) 0.279 8.913 ( 0.114 0.000 -0.535) 0.547 8.954 ( -2.788 0.000 -0.436) 2.822 9.137 ( -0.733 0.000 -4.260) 4.322 9.204 ( 1.114 0.000 -2.031) 2.317 9.300 ( 0.630 0.000 0.669) 0.919 9.337 ( 0.616 0.000 -5.301) 5.336 9.452 ( 1.170 0.000 -2.888) 3.116 9.590 ( 0.084 0.000 0.894) 0.897 9.660 ( -1.494 0.000 0.909) 1.749 9.770 ( 1.165 0.000 1.200) 1.672 9.792 ( -0.056 0.000 0.417) 0.421 9.902 ( 0.691 0.000 -3.210) 3.284 9.945 ( 0.205 0.000 -1.177) 1.194 10.000 ( -0.432 0.000 -2.257) 2.298 10.088 ( 0.250 0.000 0.852) 0.888 10.275 ( -0.163 0.000 4.523) 4.526 10.300 ( -0.466 0.000 8.760) 8.772 10.384 ( 2.596 0.000 8.541) 8.927 10.420 ( -0.297 0.000 2.017) 2.039 10.519 ( -3.137 0.000 5.087) 5.976 10.543 ( 0.209 0.000 -0.023) 0.210 10.573 ( -2.738 0.000 0.455) 2.775 10.636 ( -0.888 0.000 4.855) 4.935 10.771 ( 0.561 0.000 -0.985) 1.133 10.929 ( -1.024 0.000 0.305) 1.068 10.984 ( -0.065 0.000 1.784) 1.785 11.148 ( -0.016 0.000 2.537) 2.537 11.262 ( 0.422 0.000 1.383) 1.446 11.404 ( -4.126 0.000 -1.789) 4.497 11.436 ( -1.057 0.000 1.002) 1.457 11.548 ( 0.809 0.000 -4.063) 4.143 11.574 ( 1.487 0.000 2.544) 2.947 11.861 ( 3.570 0.000 -6.565) 7.473 11.980 ( -0.064 0.000 -0.323) 0.329 12.028 ( 1.520 0.000 -3.469) 3.788 12.315 ( 0.214 0.000 -1.634) 1.648 12.325 ( 0.884 0.000 -1.480) 1.724 ======================= Grid point 53 (28/54) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -0.779 0.000 8.267) 8.304 0.962 ( -0.766 0.000 4.898) 4.958 0.974 ( -3.736 0.000 3.791) 5.323 1.052 ( 3.169 0.000 8.576) 9.143 1.150 ( -1.627 0.000 -0.260) 1.648 1.178 ( 0.774 0.000 1.585) 1.764 1.240 ( 0.797 0.000 0.859) 1.172 1.243 ( 2.535 0.000 1.835) 3.130 1.274 ( -1.293 0.000 2.945) 3.216 1.336 ( -0.442 0.000 1.640) 1.699 1.401 ( 2.927 0.000 -2.079) 3.590 1.441 ( -6.121 0.000 8.058) 10.119 1.655 ( 3.722 0.000 2.558) 4.516 1.665 ( -4.733 0.000 2.645) 5.422 1.702 ( -3.626 0.000 -3.209) 4.842 1.790 ( 0.037 0.000 4.574) 4.574 1.845 ( 0.769 0.000 -4.540) 4.605 1.999 ( -0.818 0.000 6.571) 6.621 2.003 ( 0.231 0.000 -5.063) 5.068 2.171 ( 1.296 0.000 9.615) 9.702 2.216 ( -0.106 0.000 0.318) 0.335 2.287 ( -1.053 0.000 1.226) 1.616 2.311 ( 0.675 0.000 7.258) 7.289 2.328 ( 1.204 0.000 -1.713) 2.093 2.423 ( 0.638 0.000 0.939) 1.135 2.428 ( 0.426 0.000 -4.472) 4.492 2.482 ( -1.434 0.000 5.372) 5.560 2.790 ( -0.505 0.000 0.972) 1.096 2.810 ( -0.154 0.000 -3.252) 3.255 2.852 ( 0.399 0.000 7.692) 7.702 2.906 ( 0.282 0.000 -2.437) 2.454 2.946 ( 1.284 0.000 7.628) 7.735 2.957 ( 0.252 0.000 -0.214) 0.331 3.036 ( 0.483 0.000 8.021) 8.036 3.145 ( 0.212 0.000 1.001) 1.024 3.197 ( 0.363 0.000 2.021) 2.054 3.211 ( -0.077 0.000 0.705) 0.709 3.268 ( -0.021 0.000 -1.585) 1.585 3.302 ( 0.209 0.000 2.786) 2.793 3.341 ( -0.247 0.000 -0.490) 0.549 3.442 ( 0.215 0.000 12.295) 12.296 3.517 ( -0.418 0.000 -2.004) 2.047 3.597 ( 1.185 0.000 4.857) 5.000 3.660 ( -0.268 0.000 -1.046) 1.080 3.794 ( 0.763 0.000 1.403) 1.597 3.862 ( -0.089 0.000 -3.733) 3.734 3.948 ( 0.252 0.000 7.272) 7.276 3.979 ( -0.515 0.000 -2.260) 2.317 4.096 ( 0.052 0.000 0.538) 0.540 4.112 ( 0.781 0.000 5.425) 5.481 4.267 ( -1.073 0.000 -1.430) 1.788 4.334 ( 2.641 0.000 -6.193) 6.732 4.367 ( 1.933 0.000 0.157) 1.939 4.419 ( -0.981 0.000 -9.195) 9.247 4.550 ( 0.353 0.000 -8.614) 8.621 4.651 ( -1.351 0.000 2.223) 2.602 4.705 ( -0.924 0.000 -2.379) 2.552 4.881 ( 0.363 0.000 5.272) 5.285 4.986 ( 0.124 0.000 -9.532) 9.533 5.441 ( 0.052 0.000 -8.255) 8.256 6.875 ( -0.126 0.000 6.708) 6.709 6.972 ( -0.114 0.000 7.684) 7.685 7.421 ( 0.078 0.000 -7.674) 7.674 7.497 ( 0.176 0.000 -7.702) 7.704 8.135 ( 0.035 0.000 1.532) 1.532 8.265 ( 0.209 0.000 0.449) 0.495 8.329 ( -0.053 0.000 -3.974) 3.974 8.369 ( 0.040 0.000 -1.170) 1.171 8.531 ( 0.258 0.000 0.661) 0.710 8.591 ( 0.314 0.000 -0.632) 0.705 8.882 ( 0.139 0.000 0.239) 0.277 8.915 ( 0.156 0.000 -0.597) 0.617 8.918 ( -0.878 0.000 0.453) 0.988 9.132 ( 0.313 0.000 -3.905) 3.918 9.204 ( -0.878 0.000 -1.352) 1.613 9.308 ( 0.283 0.000 0.385) 0.478 9.341 ( -0.128 0.000 -5.415) 5.416 9.476 ( 1.111 0.000 -3.897) 4.052 9.602 ( 1.226 0.000 1.442) 1.893 9.631 ( -1.189 0.000 0.697) 1.378 9.780 ( -1.359 0.000 -0.108) 1.364 9.790 ( 0.690 0.000 1.718) 1.852 9.903 ( -0.376 0.000 -3.709) 3.728 9.916 ( -2.465 0.000 0.003) 2.465 10.003 ( 0.474 0.000 -3.315) 3.349 10.084 ( -0.664 0.000 0.506) 0.835 10.276 ( 0.077 0.000 4.692) 4.692 10.306 ( 0.773 0.000 9.323) 9.355 10.419 ( 0.142 0.000 1.910) 1.915 10.430 ( -1.644 0.000 6.647) 6.847 10.498 ( 4.336 0.000 4.968) 6.594 10.546 ( 0.098 0.000 0.558) 0.567 10.549 ( -0.112 0.000 -0.131) 0.172 10.656 ( 3.132 0.000 7.156) 7.811 10.780 ( 0.198 0.000 -1.097) 1.115 10.917 ( -0.037 0.000 -0.183) 0.187 10.981 ( -0.265 0.000 1.803) 1.822 11.149 ( 0.057 0.000 2.524) 2.525 11.272 ( 0.397 0.000 1.817) 1.860 11.337 ( -3.055 0.000 -1.882) 3.589 11.427 ( 0.029 0.000 0.904) 0.905 11.566 ( 1.035 0.000 -4.093) 4.222 11.586 ( -0.300 0.000 2.249) 2.269 11.893 ( 0.329 0.000 -5.599) 5.608 11.980 ( 0.048 0.000 -0.447) 0.449 12.050 ( 0.581 0.000 -4.361) 4.399 12.318 ( 0.117 0.000 -1.559) 1.563 12.321 ( -1.363 0.000 -1.766) 2.231 ======================= Grid point 54 (29/54) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -1.982 0.000 15.997) 16.120 0.859 ( -6.257 0.000 11.253) 12.876 0.981 ( 2.202 0.000 5.190) 5.638 1.120 ( -1.165 0.000 0.170) 1.178 1.129 ( 2.411 0.000 0.472) 2.456 1.167 ( -5.298 0.000 8.521) 10.033 1.213 ( -1.337 0.000 2.757) 3.064 1.272 ( 0.855 0.000 2.148) 2.312 1.283 ( -1.158 0.000 2.296) 2.572 1.303 ( 3.927 0.000 3.848) 5.498 1.435 ( 2.901 0.000 0.540) 2.951 1.459 ( 1.523 0.000 -0.348) 1.562 1.576 ( -3.155 0.000 -0.032) 3.155 1.606 ( -4.748 0.000 -2.536) 5.382 1.729 ( 3.373 0.000 2.293) 4.079 1.780 ( -1.351 0.000 2.673) 2.994 1.865 ( 1.433 0.000 -3.300) 3.598 1.990 ( -0.485 0.000 5.807) 5.827 1.998 ( -0.541 0.000 -3.789) 3.828 2.192 ( 0.305 0.000 9.947) 9.952 2.220 ( 0.418 0.000 -0.521) 0.668 2.278 ( 0.221 0.000 1.845) 1.858 2.317 ( -0.482 0.000 5.570) 5.590 2.330 ( -0.933 0.000 -2.476) 2.646 2.425 ( -0.425 0.000 1.273) 1.342 2.431 ( 0.016 0.000 -4.334) 4.334 2.473 ( 0.530 0.000 6.499) 6.520 2.778 ( -0.691 0.000 0.692) 0.978 2.796 ( -1.076 0.000 -3.680) 3.834 2.872 ( 1.106 0.000 7.862) 7.939 2.904 ( -0.406 0.000 -2.978) 3.006 2.963 ( 0.179 0.000 7.510) 7.512 2.972 ( 1.275 0.000 -0.278) 1.305 3.039 ( -0.571 0.000 9.039) 9.057 3.156 ( 0.839 0.000 1.433) 1.661 3.195 ( -1.377 0.000 0.077) 1.379 3.203 ( 0.064 0.000 1.190) 1.192 3.268 ( -0.035 0.000 -1.243) 1.244 3.322 ( 1.612 0.000 2.406) 2.896 3.336 ( -0.219 0.000 -0.425) 0.478 3.441 ( -0.816 0.000 12.783) 12.809 3.516 ( 0.405 0.000 -2.282) 2.318 3.628 ( 1.692 0.000 4.815) 5.104 3.663 ( 0.569 0.000 -0.798) 0.980 3.788 ( -1.615 0.000 1.005) 1.902 3.863 ( 0.379 0.000 -3.788) 3.807 3.954 ( 0.093 0.000 6.743) 6.744 3.977 ( 0.399 0.000 -2.717) 2.746 4.096 ( -0.018 0.000 0.522) 0.522 4.115 ( -0.753 0.000 4.198) 4.265 4.258 ( 0.223 0.000 -0.696) 0.731 4.347 ( -1.437 0.000 -3.605) 3.881 4.414 ( 2.458 0.000 0.036) 2.458 4.428 ( 2.462 0.000 -11.836) 12.089 4.558 ( 0.577 0.000 -7.634) 7.655 4.640 ( 0.356 0.000 1.322) 1.369 4.693 ( -0.034 0.000 -2.811) 2.811 4.885 ( -0.151 0.000 5.228) 5.230 4.977 ( -0.625 0.000 -9.489) 9.509 5.442 ( 0.346 0.000 -8.291) 8.298 6.877 ( 0.074 0.000 6.692) 6.693 6.972 ( -0.078 0.000 7.563) 7.563 7.419 ( 0.040 0.000 -7.615) 7.615 7.500 ( 0.342 0.000 -7.684) 7.692 8.135 ( -0.065 0.000 1.505) 1.506 8.268 ( 0.091 0.000 0.429) 0.439 8.329 ( 0.117 0.000 -3.972) 3.973 8.373 ( 0.352 0.000 -0.970) 1.032 8.536 ( 0.139 0.000 0.603) 0.619 8.596 ( 0.192 0.000 -0.606) 0.636 8.882 ( -0.167 0.000 -0.566) 0.590 8.917 ( -0.002 0.000 -0.544) 0.544 8.936 ( 3.018 0.000 1.629) 3.430 9.145 ( 1.076 0.000 -3.115) 3.296 9.174 ( -2.219 0.000 -1.118) 2.484 9.311 ( -0.191 0.000 -2.625) 2.632 9.327 ( -0.875 0.000 -3.291) 3.405 9.479 ( -0.720 0.000 -4.144) 4.206 9.626 ( 0.656 0.000 0.278) 0.713 9.631 ( 1.209 0.000 1.242) 1.733 9.746 ( -1.575 0.000 0.459) 1.640 9.797 ( 0.168 0.000 1.444) 1.454 9.880 ( -1.031 0.000 -0.138) 1.040 9.886 ( -1.286 0.000 -2.933) 3.203 10.009 ( 0.318 0.000 -3.116) 3.132 10.074 ( -0.261 0.000 1.007) 1.040 10.279 ( 0.063 0.000 4.619) 4.620 10.324 ( 0.543 0.000 6.956) 6.977 10.380 ( -2.833 0.000 7.181) 7.720 10.425 ( 0.311 0.000 2.064) 2.087 10.516 ( -0.423 0.000 -2.754) 2.786 10.546 ( -0.074 0.000 0.362) 0.369 10.608 ( 2.329 0.000 0.383) 2.361 10.775 ( -0.519 0.000 -1.342) 1.439 10.828 ( 14.668 0.000 9.070) 17.245 10.929 ( 1.058 0.000 0.137) 1.067 10.977 ( -0.180 0.000 1.953) 1.961 11.150 ( -0.022 0.000 2.420) 2.420 11.274 ( -0.205 0.000 1.752) 1.764 11.283 ( -2.454 0.000 -0.927) 2.623 11.438 ( 1.156 0.000 1.100) 1.596 11.566 ( -1.814 0.000 1.828) 2.575 11.579 ( 0.426 0.000 -3.630) 3.655 11.853 ( -5.082 0.000 -7.126) 8.753 11.981 ( 0.091 0.000 -0.493) 0.501 12.049 ( -0.295 0.000 -2.856) 2.871 12.283 ( -2.011 0.000 -0.619) 2.104 12.318 ( -0.092 0.000 -1.658) 1.661 ======================= Grid point 55 (30/54) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -1.801 1.808 13.677) 13.913 0.843 ( -1.386 3.742 14.548) 15.085 1.013 ( 2.523 -1.251 3.866) 4.783 1.055 ( 1.111 -3.639 2.288) 4.440 1.152 ( -1.337 1.094 0.788) 1.898 1.192 ( -0.588 2.345 3.080) 3.915 1.216 ( -0.415 -0.003 0.666) 0.785 1.277 ( 1.787 0.519 2.408) 3.043 1.285 ( -0.945 -0.288 2.685) 2.861 1.344 ( -0.122 -2.320 3.163) 3.925 1.390 ( -0.170 -0.213 1.515) 1.540 1.505 ( -3.578 0.122 2.178) 4.191 1.536 ( 1.902 -3.226 -3.171) 4.907 1.591 ( 2.472 2.693 0.022) 3.656 1.738 ( 2.105 -3.586 -1.358) 4.374 1.782 ( -0.228 -4.912 -3.520) 6.047 1.814 ( -0.354 1.497 6.842) 7.013 1.929 ( -1.612 1.859 6.685) 7.123 2.066 ( 0.541 2.587 -0.510) 2.692 2.135 ( -0.403 -3.293 5.154) 6.129 2.173 ( -0.615 -6.924 5.732) 9.010 2.238 ( 0.377 0.303 -3.987) 4.016 2.300 ( 0.547 -2.783 1.071) 3.032 2.317 ( 0.241 -1.538 1.218) 1.977 2.418 ( 0.251 6.468 4.257) 7.747 2.519 ( 1.183 1.117 5.789) 6.014 2.548 ( -0.433 4.493 -1.446) 4.740 2.739 ( -0.341 -2.688 -0.327) 2.729 2.814 ( -0.366 1.635 -2.455) 2.972 2.839 ( -0.140 -2.710 -1.997) 3.369 2.905 ( -1.015 0.607 7.388) 7.482 2.933 ( -1.398 -2.236 6.105) 6.650 3.007 ( 0.146 1.044 2.877) 3.064 3.056 ( 0.617 3.261 3.815) 5.057 3.126 ( -0.519 -3.312 -0.276) 3.364 3.161 ( -0.645 -1.318 1.959) 2.448 3.193 ( -0.623 1.739 4.442) 4.811 3.268 ( 0.251 0.472 -2.173) 2.237 3.369 ( 0.838 0.544 3.605) 3.741 3.388 ( -0.197 1.158 4.853) 4.993 3.454 ( -0.578 3.887 6.128) 7.280 3.570 ( 0.175 3.381 -0.949) 3.516 3.634 ( -0.306 -1.985 2.659) 3.332 3.661 ( 0.498 -0.719 0.414) 0.968 3.734 ( -1.021 -1.090 1.045) 1.822 3.822 ( -0.125 -0.846 2.960) 3.081 3.881 ( 0.506 -3.171 -0.712) 3.289 4.016 ( -0.366 0.711 -0.934) 1.230 4.048 ( -0.571 -2.076 -1.158) 2.445 4.120 ( -0.268 -6.259 -1.385) 6.416 4.253 ( 0.064 3.880 3.123) 4.981 4.351 ( -1.332 1.815 -5.299) 5.757 4.406 ( -0.676 -1.231 0.393) 1.458 4.489 ( 0.749 -2.751 -6.668) 7.251 4.560 ( 0.436 4.212 -5.731) 7.125 4.663 ( 1.812 -0.174 -3.593) 4.028 4.700 ( 0.816 -0.418 -2.681) 2.833 4.780 ( -0.235 -4.683 1.212) 4.843 5.126 ( -0.318 9.953 -6.467) 11.873 5.411 ( 0.254 -3.695 -8.199) 8.996 6.894 ( 0.055 1.272 6.927) 7.043 6.958 ( -0.061 -1.396 7.596) 7.724 7.438 ( 0.110 1.661 -7.613) 7.793 7.495 ( 0.189 -0.833 -7.672) 7.720 8.144 ( -0.064 1.422 0.292) 1.453 8.265 ( 0.142 -3.179 -3.323) 4.601 8.318 ( -0.078 3.053 1.415) 3.365 8.426 ( -0.050 2.269 -0.546) 2.335 8.512 ( -0.127 -1.746 0.004) 1.751 8.575 ( -0.191 -1.916 -0.767) 2.072 8.889 ( -0.013 0.921 -0.007) 0.921 8.919 ( -0.218 0.145 -0.149) 0.301 9.023 ( 3.088 0.787 0.278) 3.199 9.097 ( -1.809 -1.966 -0.999) 2.852 9.182 ( 0.279 1.076 -4.220) 4.364 9.266 ( -0.146 -2.644 -5.296) 5.922 9.349 ( 0.049 2.676 -1.215) 2.940 9.442 ( -0.289 -1.320 -2.207) 2.588 9.613 ( -1.480 -0.711 -0.474) 1.709 9.635 ( 0.689 -1.095 0.670) 1.457 9.774 ( 0.946 1.744 -0.383) 2.021 9.806 ( 0.416 0.385 -0.314) 0.648 9.863 ( 0.809 1.539 0.079) 1.741 9.934 ( -0.062 3.456 -1.281) 3.686 9.977 ( 0.437 -3.096 -0.517) 3.169 10.055 ( 0.186 -1.977 0.428) 2.031 10.290 ( -0.469 1.206 4.066) 4.268 10.321 ( -1.376 -0.404 3.888) 4.145 10.391 ( -0.350 1.222 4.044) 4.239 10.430 ( 0.569 2.024 4.376) 4.855 10.485 ( -0.005 -0.858 3.120) 3.236 10.584 ( 0.200 1.414 -2.083) 2.525 10.622 ( 0.356 -0.092 1.373) 1.422 10.714 ( -0.073 -4.275 1.730) 4.612 10.891 ( -0.106 -2.083 2.359) 3.149 10.949 ( 0.601 -2.874 1.397) 3.252 11.030 ( -2.083 4.150 -0.929) 4.736 11.164 ( -1.042 0.339 0.539) 1.221 11.255 ( 0.454 -1.424 0.096) 1.498 11.288 ( 3.155 -3.546 0.330) 4.758 11.491 ( 1.635 1.923 1.500) 2.936 11.567 ( 1.921 -1.217 -1.179) 2.562 11.626 ( 0.744 6.100 -2.388) 6.593 11.728 ( -5.883 1.057 -4.204) 7.308 11.996 ( -0.014 1.173 -0.852) 1.450 12.030 ( -1.079 -0.482 -1.867) 2.209 12.263 ( 0.394 -0.115 0.034) 0.412 12.302 ( -0.365 -1.193 -1.648) 2.067 ======================= Grid point 56 (31/54) ======================= q-point: ( 0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 1.589 2.762 11.434) 11.870 0.844 ( 1.745 3.092 11.077) 11.632 1.049 ( -0.176 -2.630 1.913) 3.257 1.091 ( 3.215 -0.105 2.046) 3.813 1.128 ( -0.846 -1.122 2.709) 3.052 1.165 ( -2.717 -2.985 -0.927) 4.141 1.194 ( -0.461 1.760 1.500) 2.358 1.247 ( -2.026 -0.651 2.543) 3.316 1.350 ( -2.365 -2.203 2.220) 3.921 1.357 ( 4.365 1.601 3.154) 5.619 1.376 ( -0.009 1.529 1.412) 2.081 1.479 ( 1.655 2.245 4.413) 5.221 1.583 ( 1.432 -2.661 -3.794) 4.850 1.619 ( 2.399 -3.447 0.484) 4.227 1.729 ( -1.477 -1.337 0.701) 2.112 1.791 ( 0.219 -2.898 -1.760) 3.398 1.853 ( 2.035 0.701 4.193) 4.713 1.907 ( -0.139 1.342 7.115) 7.241 2.069 ( -0.163 1.142 -0.493) 1.255 2.121 ( -1.167 -2.503 6.401) 6.971 2.162 ( -0.401 -7.548 3.304) 8.249 2.242 ( -0.114 1.502 -1.772) 2.326 2.300 ( -0.256 -3.903 1.737) 4.280 2.314 ( -0.675 0.218 0.408) 0.818 2.425 ( 0.248 6.825 3.898) 7.863 2.543 ( 0.147 5.388 -2.627) 5.996 2.544 ( 0.598 0.757 6.091) 6.167 2.740 ( 0.424 -3.332 0.016) 3.359 2.815 ( 0.457 1.710 -1.062) 2.064 2.829 ( -0.687 -3.043 -1.375) 3.409 2.889 ( -0.852 0.237 8.209) 8.257 2.911 ( -0.605 -1.947 4.628) 5.058 3.008 ( -0.163 0.773 2.474) 2.597 3.058 ( -0.585 4.368 3.944) 5.914 3.116 ( -0.425 -3.783 0.162) 3.811 3.159 ( 0.016 -1.440 1.997) 2.462 3.187 ( 0.163 1.929 5.070) 5.427 3.274 ( 0.379 0.807 -2.504) 2.658 3.363 ( -1.178 1.223 4.493) 4.804 3.395 ( 0.370 -0.369 4.597) 4.627 3.449 ( -0.118 4.914 4.358) 6.569 3.570 ( -0.105 2.988 -0.421) 3.020 3.611 ( -1.525 -0.626 2.415) 2.924 3.671 ( 0.244 -0.433 0.445) 0.667 3.725 ( 0.006 -1.896 1.774) 2.597 3.822 ( 0.069 -0.775 1.946) 2.096 3.884 ( -0.183 -3.119 -0.130) 3.127 4.013 ( 0.166 0.244 -0.987) 1.030 4.043 ( 0.016 -1.831 -0.513) 1.902 4.118 ( 0.229 -7.704 -1.977) 7.957 4.244 ( -0.929 4.867 3.758) 6.219 4.330 ( -0.580 2.106 -5.321) 5.751 4.383 ( -1.587 -0.788 1.761) 2.498 4.490 ( -0.374 -4.345 -7.184) 8.404 4.545 ( -1.221 4.924 -6.566) 8.297 4.696 ( 1.143 -0.104 -3.687) 3.862 4.717 ( 0.785 -0.601 -2.435) 2.628 4.783 ( 0.523 -4.124 1.362) 4.375 5.117 ( -0.221 9.956 -6.443) 11.861 5.410 ( -0.023 -3.908 -8.059) 8.956 6.895 ( -0.227 1.312 6.933) 7.060 6.959 ( -0.152 -1.328 7.658) 7.774 7.438 ( 0.151 1.589 -7.624) 7.789 7.494 ( 0.009 -0.851 -7.637) 7.685 8.143 ( 0.007 1.460 0.291) 1.489 8.266 ( 0.059 -2.928 -3.159) 4.308 8.316 ( -0.145 2.787 1.235) 3.052 8.421 ( -0.366 2.016 -0.605) 2.136 8.508 ( -0.206 -1.661 0.035) 1.674 8.569 ( -0.315 -1.964 -0.752) 2.127 8.891 ( 0.142 0.931 0.067) 0.944 8.915 ( -0.171 0.146 -0.084) 0.240 9.030 ( -2.312 1.185 -1.104) 2.823 9.094 ( 1.553 -3.065 0.161) 3.440 9.173 ( -0.748 0.566 -4.797) 4.888 9.272 ( 0.739 -3.271 -5.322) 6.290 9.358 ( 0.734 3.615 -1.227) 3.888 9.446 ( 0.783 -0.232 -2.147) 2.297 9.593 ( -0.429 0.105 -0.097) 0.452 9.657 ( 1.435 -1.664 0.926) 2.384 9.766 ( -1.322 1.656 -0.889) 2.298 9.818 ( 0.517 1.085 0.207) 1.219 9.882 ( 0.878 1.030 -0.501) 1.443 9.946 ( 1.090 1.518 -2.163) 2.859 9.988 ( 0.663 -1.328 -0.117) 1.489 10.064 ( 0.717 -1.764 0.124) 1.909 10.281 ( -0.469 0.211 4.270) 4.301 10.305 ( -0.607 -0.510 4.794) 4.859 10.391 ( 0.118 2.170 5.686) 6.087 10.437 ( 0.073 1.262 4.104) 4.294 10.487 ( 0.061 -0.159 2.457) 2.463 10.588 ( 0.307 0.570 -1.098) 1.275 10.621 ( -0.634 0.398 1.303) 1.503 10.682 ( -4.109 -3.264 4.202) 6.723 10.834 ( -4.407 2.291 1.337) 5.144 10.932 ( -1.624 -1.872 0.431) 2.516 10.993 ( -0.353 2.921 1.847) 3.474 11.158 ( 0.058 0.491 1.594) 1.669 11.253 ( -0.103 -0.756 0.573) 0.954 11.312 ( -0.897 -7.545 -1.090) 7.676 11.524 ( 1.263 1.049 1.368) 2.137 11.557 ( -2.452 0.132 -1.085) 2.685 11.628 ( -1.406 5.574 -1.996) 6.085 11.735 ( 6.136 -0.745 -5.555) 8.310 11.994 ( -0.226 1.038 -0.943) 1.421 12.017 ( 0.172 0.139 -2.006) 2.019 12.290 ( 1.986 -0.434 -0.562) 2.109 12.303 ( 0.491 -0.865 -1.662) 1.937 ======================= Grid point 57 (32/54) ======================= q-point: ( 0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 2.320 0.889 8.411) 8.770 0.908 ( 3.940 1.424 6.448) 7.689 1.006 ( -3.630 -1.837 0.177) 4.072 1.105 ( -1.003 -1.079 3.332) 3.643 1.136 ( -0.555 -1.667 0.621) 1.863 1.172 ( 3.635 -2.051 1.879) 4.577 1.187 ( -0.671 0.723 1.732) 1.993 1.220 ( -0.341 0.042 2.424) 2.449 1.287 ( -2.966 -1.025 2.865) 4.249 1.370 ( -1.162 -0.013 0.534) 1.279 1.394 ( 0.624 1.751 -0.873) 2.054 1.537 ( 1.958 3.910 6.588) 7.907 1.606 ( 1.754 -2.754 -4.766) 5.777 1.651 ( -0.239 -2.790 1.486) 3.170 1.741 ( 2.220 -1.448 1.134) 2.883 1.778 ( -1.079 -3.234 0.571) 3.456 1.842 ( -1.853 3.396 5.998) 7.137 1.934 ( 1.387 0.419 4.322) 4.558 2.064 ( -0.367 1.604 0.711) 1.792 2.105 ( -0.389 -2.434 6.465) 6.918 2.163 ( 0.226 -7.088 3.286) 7.816 2.233 ( -0.477 -0.911 -2.188) 2.418 2.291 ( -1.161 -0.637 0.321) 1.363 2.302 ( -0.044 -3.824 1.688) 4.180 2.427 ( -0.276 6.672 4.876) 8.269 2.538 ( -0.788 1.563 5.462) 5.736 2.552 ( 0.420 5.001 -2.817) 5.755 2.749 ( 0.345 -4.453 0.717) 4.523 2.815 ( -0.444 -2.138 0.525) 2.246 2.826 ( 0.434 0.190 -1.341) 1.422 2.887 ( 0.505 1.193 6.992) 7.111 2.922 ( 1.330 -1.262 2.961) 3.482 3.006 ( -0.039 0.896 2.351) 2.517 3.045 ( -0.764 4.854 4.661) 6.773 3.112 ( 0.003 -3.410 0.378) 3.431 3.155 ( -0.203 -1.193 1.870) 2.227 3.204 ( 1.000 1.415 5.252) 5.531 3.278 ( 0.049 0.858 -2.223) 2.383 3.342 ( -0.984 1.586 4.167) 4.566 3.400 ( 0.063 -0.193 4.413) 4.417 3.451 ( 0.147 4.318 5.140) 6.715 3.566 ( -0.223 3.299 -0.641) 3.368 3.596 ( -0.112 0.405 2.535) 2.570 3.666 ( -0.660 0.262 -0.490) 0.863 3.731 ( 0.467 -4.762 2.264) 5.294 3.827 ( 0.342 0.448 1.856) 1.940 3.875 ( -0.618 -3.083 -0.605) 3.202 4.018 ( 0.285 0.409 -0.924) 1.050 4.047 ( 0.502 -1.418 0.287) 1.531 4.129 ( 0.883 -9.303 -2.290) 9.621 4.229 ( -0.693 5.094 3.553) 6.249 4.329 ( 0.646 1.396 -4.893) 5.129 4.360 ( -0.472 0.346 1.059) 1.209 4.476 ( -0.759 -5.105 -5.851) 7.802 4.521 ( -1.023 5.544 -6.748) 8.793 4.695 ( -0.879 -0.055 -3.073) 3.197 4.724 ( -0.052 0.251 -1.693) 1.712 4.795 ( 0.430 -3.914 1.311) 4.150 5.117 ( 0.420 9.464 -6.633) 11.565 5.406 ( -0.059 -3.965 -8.028) 8.954 6.891 ( -0.355 1.355 6.929) 7.069 6.957 ( -0.234 -1.352 7.662) 7.784 7.439 ( 0.176 1.507 -7.586) 7.737 7.491 ( 0.004 -0.777 -7.608) 7.648 8.144 ( 0.069 1.475 0.290) 1.505 8.265 ( 0.004 -2.842 -3.125) 4.224 8.314 ( -0.052 2.737 1.166) 2.976 8.415 ( -0.170 1.987 -0.758) 2.133 8.506 ( -0.014 -1.654 0.142) 1.660 8.566 ( 0.011 -2.019 -0.781) 2.165 8.893 ( 0.076 1.051 0.184) 1.069 8.914 ( 0.105 0.249 -0.149) 0.308 8.985 ( -2.135 2.587 -0.553) 3.399 9.112 ( 0.397 -3.601 -0.536) 3.662 9.162 ( -0.089 -0.072 -4.555) 4.557 9.282 ( 0.464 -4.303 -5.329) 6.865 9.368 ( 0.307 4.073 -0.883) 4.179 9.462 ( 0.745 -0.232 -2.306) 2.435 9.597 ( 0.854 1.336 0.162) 1.594 9.674 ( -0.259 0.160 0.874) 0.926 9.749 ( 0.097 0.225 -0.559) 0.610 9.818 ( -0.597 0.184 -0.014) 0.624 9.886 ( -0.418 0.285 -1.124) 1.233 9.962 ( 0.573 -1.754 -2.191) 2.864 9.994 ( -0.132 1.995 -1.102) 2.282 10.078 ( 0.572 -1.190 -0.661) 1.476 10.269 ( -0.809 0.253 5.260) 5.328 10.315 ( 1.723 -1.048 6.696) 6.992 10.396 ( 0.108 2.829 6.570) 7.154 10.441 ( 0.364 0.979 4.929) 5.039 10.483 ( -0.960 -0.528 3.161) 3.346 10.576 ( -3.677 1.933 4.602) 6.200 10.597 ( 0.531 -0.174 -0.151) 0.579 10.614 ( -1.341 -0.620 2.748) 3.120 10.794 ( -0.451 1.749 -0.397) 1.849 10.904 ( -1.312 -2.659 0.123) 2.968 10.994 ( 0.136 2.317 2.013) 3.073 11.164 ( 0.517 0.964 1.526) 1.878 11.257 ( 0.447 -0.760 0.923) 1.277 11.282 ( -1.811 -7.089 -0.668) 7.347 11.508 ( -2.169 2.633 -0.371) 3.431 11.535 ( 0.224 0.089 -0.257) 0.353 11.631 ( 0.970 4.185 -0.467) 4.321 11.818 ( 2.725 -4.026 -4.888) 6.894 11.994 ( 0.217 1.293 -1.243) 1.806 12.032 ( 1.183 0.087 -3.363) 3.566 12.314 ( 0.590 -0.069 -1.805) 1.901 12.322 ( 1.051 -0.332 -1.610) 1.951 ======================= Grid point 58 (33/54) ======================= q-point: (-0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.235 -0.495 9.293) 9.309 0.918 ( -3.119 0.414 5.920) 6.704 0.989 ( 0.522 -0.098 0.914) 1.057 1.077 ( -1.085 -3.446 3.995) 5.386 1.119 ( -0.944 -0.615 2.596) 2.830 1.171 ( -0.191 -1.383 1.845) 2.314 1.219 ( 1.493 -1.473 1.299) 2.467 1.245 ( 1.468 -0.546 1.231) 1.992 1.276 ( 1.454 2.320 1.122) 2.959 1.354 ( 0.662 0.410 1.277) 1.496 1.427 ( 2.813 1.628 -1.869) 3.749 1.496 ( -5.926 4.605 5.668) 9.405 1.596 ( -3.152 -5.643 -1.222) 6.578 1.665 ( 1.606 0.962 2.056) 2.780 1.720 ( -3.771 -0.605 1.440) 4.082 1.776 ( 0.151 -5.620 -0.917) 5.696 1.838 ( 0.815 5.271 5.022) 7.326 1.951 ( 0.398 0.694 4.261) 4.336 2.054 ( -0.450 2.628 1.682) 3.153 2.117 ( 1.081 -3.005 5.202) 6.104 2.168 ( 0.202 -5.274 4.907) 7.206 2.230 ( 0.261 -3.853 -5.042) 6.351 2.273 ( -0.442 -1.084 2.056) 2.366 2.305 ( 0.203 -4.879 1.162) 5.020 2.421 ( -0.468 6.146 5.757) 8.434 2.522 ( -1.014 1.741 5.165) 5.544 2.557 ( 0.155 4.393 -2.486) 5.050 2.753 ( 0.051 -4.557 0.644) 4.603 2.814 ( 0.406 -2.553 0.151) 2.589 2.831 ( 0.120 0.464 -2.112) 2.166 2.904 ( 0.849 2.294 5.608) 6.118 2.945 ( 0.725 -0.901 3.244) 3.443 3.007 ( -0.077 0.670 3.056) 3.129 3.038 ( -0.105 4.505 4.879) 6.642 3.118 ( 0.581 -2.646 0.484) 2.752 3.158 ( 0.476 -1.715 1.381) 2.252 3.216 ( 0.002 1.215 4.627) 4.784 3.275 ( -0.182 0.666 -1.795) 1.923 3.333 ( -0.032 1.788 4.362) 4.715 3.400 ( -0.305 0.822 3.369) 3.481 3.457 ( 0.191 2.996 7.363) 7.951 3.563 ( -0.022 3.864 -1.238) 4.058 3.604 ( 0.754 0.028 2.787) 2.887 3.654 ( -0.379 0.208 -0.815) 0.922 3.741 ( 0.514 -5.546 2.003) 5.919 3.832 ( -0.058 0.925 3.098) 3.234 3.867 ( -0.060 -3.009 -1.933) 3.576 4.021 ( 0.105 0.936 -1.050) 1.410 4.060 ( 0.641 -1.462 0.375) 1.640 4.137 ( -0.164 -8.564 -1.796) 8.752 4.226 ( 0.303 4.325 3.143) 5.355 4.348 ( 1.508 0.260 -4.439) 4.695 4.374 ( 1.666 0.684 -1.118) 2.119 4.464 ( -0.146 -4.018 -4.559) 6.078 4.507 ( 0.017 5.226 -5.892) 7.875 4.673 ( -1.167 0.268 -2.778) 3.025 4.715 ( -0.792 0.921 -1.920) 2.272 4.796 ( -0.336 -4.544 1.567) 4.818 5.125 ( 0.547 9.228 -6.666) 11.397 5.404 ( 0.182 -3.787 -8.130) 8.970 6.888 ( -0.163 1.328 6.917) 7.045 6.956 ( -0.169 -1.435 7.606) 7.742 7.439 ( 0.144 1.527 -7.536) 7.690 7.490 ( 0.190 -0.716 -7.623) 7.659 8.146 ( 0.033 1.429 0.290) 1.459 8.264 ( 0.005 -3.059 -3.282) 4.486 8.315 ( 0.085 2.998 1.309) 3.273 8.415 ( 0.250 2.227 -0.786) 2.375 8.508 ( 0.208 -1.742 0.203) 1.766 8.569 ( 0.334 -2.023 -0.807) 2.203 8.894 ( -0.014 1.057 0.152) 1.068 8.919 ( 0.405 0.443 -0.273) 0.660 8.956 ( -0.835 3.205 0.266) 3.322 9.116 ( 0.230 -3.191 -1.111) 3.387 9.165 ( 0.373 -0.265 -4.138) 4.163 9.285 ( -0.053 -4.076 -5.103) 6.531 9.367 ( -0.346 3.412 -0.808) 3.524 9.467 ( -0.213 -1.272 -2.322) 2.656 9.622 ( 1.512 1.939 -0.091) 2.460 9.652 ( -1.463 1.546 0.561) 2.201 9.761 ( 0.362 -0.661 -0.440) 0.872 9.798 ( -1.031 -1.346 0.056) 1.696 9.871 ( -0.925 0.586 -0.912) 1.425 9.965 ( -0.241 -2.403 -1.221) 2.707 9.981 ( -0.906 2.756 -2.290) 3.696 10.075 ( -0.850 -1.157 -0.352) 1.478 10.269 ( 0.638 1.068 5.823) 5.954 10.362 ( 2.136 -1.439 3.524) 4.365 10.398 ( -0.079 3.670 6.996) 7.900 10.433 ( -2.209 -0.440 5.590) 6.027 10.475 ( 0.968 -1.759 4.402) 4.838 10.554 ( 1.156 3.384 1.785) 3.997 10.599 ( -0.059 1.496 0.078) 1.499 10.619 ( 1.790 -3.122 5.907) 6.917 10.799 ( 0.994 1.100 -0.355) 1.524 10.891 ( 0.172 -2.864 -0.220) 2.878 10.998 ( 0.237 3.025 1.814) 3.535 11.176 ( 0.641 1.753 1.031) 2.132 11.252 ( -1.280 -5.825 -0.935) 6.037 11.267 ( 0.446 -0.794 1.741) 1.965 11.479 ( -0.981 3.178 0.173) 3.330 11.539 ( 0.286 -0.797 -1.150) 1.428 11.643 ( 0.175 3.929 -0.337) 3.947 11.845 ( 0.474 -4.530 -4.296) 6.261 11.998 ( 0.181 1.571 -1.294) 2.043 12.047 ( 0.427 -0.371 -3.751) 3.793 12.316 ( -0.727 0.072 -2.079) 2.204 12.324 ( -0.437 0.034 -1.830) 1.882 ======================= Grid point 59 (34/54) ======================= q-point: (-0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -2.914 0.064 12.704) 13.034 0.866 ( -2.103 2.713 12.128) 12.605 0.980 ( 0.501 -0.790 4.498) 4.594 1.054 ( -1.448 -5.412 0.938) 5.680 1.141 ( 1.892 0.855 1.334) 2.468 1.185 ( 1.328 -0.715 1.123) 1.880 1.248 ( 0.405 -0.323 1.932) 2.001 1.251 ( 0.623 -0.544 0.497) 0.965 1.290 ( -2.034 1.748 2.466) 3.643 1.366 ( -1.848 6.341 4.652) 8.079 1.405 ( 0.158 -2.864 2.866) 4.055 1.497 ( 3.089 0.821 -3.686) 4.879 1.525 ( -1.913 -3.605 -1.343) 4.297 1.626 ( -5.532 3.295 4.293) 7.739 1.695 ( 1.625 -2.638 1.178) 3.315 1.783 ( 0.466 -8.862 -3.353) 9.487 1.840 ( -1.140 5.350 4.809) 7.284 1.950 ( -0.743 1.951 5.426) 5.814 2.054 ( 0.426 3.131 0.192) 3.166 2.133 ( 0.348 -3.659 4.652) 5.929 2.174 ( 0.169 -4.827 6.383) 8.004 2.236 ( 0.253 -4.012 -5.159) 6.540 2.279 ( 1.059 -0.806 1.400) 1.932 2.311 ( 0.323 -4.474 1.480) 4.724 2.416 ( -0.194 5.924 5.270) 7.931 2.509 ( -0.321 1.635 5.414) 5.665 2.556 ( -0.252 4.136 -1.865) 4.544 2.749 ( -0.494 -3.297 -0.060) 3.334 2.824 ( -0.164 -0.731 -3.046) 3.137 2.832 ( 0.622 -0.944 -0.666) 1.312 2.916 ( -0.084 2.276 5.649) 6.091 2.948 ( -0.462 -2.132 4.931) 5.392 3.004 ( -0.126 0.483 3.200) 3.238 3.043 ( 0.445 3.933 4.425) 5.937 3.129 ( 0.345 -2.350 0.188) 2.382 3.168 ( 0.212 -2.045 1.515) 2.554 3.206 ( -0.989 1.686 3.990) 4.444 3.270 ( -0.304 0.326 -1.778) 1.833 3.345 ( 1.084 1.090 4.108) 4.386 3.393 ( -0.419 1.615 3.704) 4.062 3.460 ( -0.205 2.766 7.909) 8.381 3.565 ( 0.261 3.827 -1.468) 4.107 3.622 ( 0.956 -1.010 3.168) 3.460 3.654 ( 0.309 -0.241 -0.600) 0.716 3.748 ( -0.124 -3.937 1.399) 4.180 3.827 ( -0.483 0.212 3.777) 3.814 3.871 ( 0.456 -3.018 -1.979) 3.637 4.021 ( -0.103 1.132 -1.017) 1.525 4.062 ( -0.558 -1.575 -0.509) 1.747 4.127 ( -0.518 -7.043 -1.410) 7.202 4.240 ( 0.954 3.690 2.867) 4.770 4.368 ( 0.230 0.009 -5.802) 5.806 4.403 ( 1.027 -0.104 -0.915) 1.380 4.471 ( 1.078 -1.841 -4.748) 5.205 4.527 ( 2.290 3.648 -4.758) 6.418 4.654 ( -0.557 0.403 -3.181) 3.254 4.699 ( -0.570 0.402 -2.461) 2.558 4.787 ( -0.506 -4.820 1.501) 5.074 5.130 ( 0.171 9.554 -6.574) 11.598 5.407 ( 0.388 -3.623 -8.227) 8.998 6.890 ( 0.059 1.281 6.915) 7.033 6.956 ( -0.078 -1.466 7.562) 7.703 7.439 ( 0.111 1.623 -7.553) 7.726 7.493 ( 0.305 -0.751 -7.659) 7.702 8.145 ( -0.072 1.403 0.283) 1.433 8.264 ( 0.086 -3.241 -3.367) 4.674 8.317 ( 0.070 3.168 1.437) 3.479 8.422 ( 0.395 2.410 -0.643) 2.525 8.512 ( 0.131 -1.796 0.107) 1.804 8.575 ( 0.232 -1.951 -0.805) 2.123 8.892 ( -0.197 0.994 -0.028) 1.014 8.923 ( -0.102 0.242 -0.316) 0.411 8.967 ( 2.162 2.953 1.025) 3.801 9.118 ( -0.274 -3.298 -1.077) 3.481 9.172 ( 0.591 0.998 -4.221) 4.377 9.277 ( -0.537 -3.296 -4.985) 6.000 9.357 ( -0.646 2.668 -1.160) 2.981 9.455 ( -0.820 -1.934 -2.314) 3.125 9.628 ( -0.504 0.247 -0.123) 0.575 9.642 ( -0.430 0.498 0.099) 0.665 9.755 ( 0.163 0.949 -0.359) 1.028 9.798 ( 0.523 -0.931 0.148) 1.078 9.858 ( -0.290 1.258 -0.412) 1.355 9.948 ( -1.170 2.874 -1.045) 3.274 9.973 ( -0.007 -2.654 -1.519) 3.058 10.058 ( -0.621 -1.572 0.384) 1.733 10.286 ( 0.686 1.855 4.593) 5.001 10.358 ( -2.232 -1.456 3.543) 4.433 10.400 ( -0.648 2.125 3.572) 4.207 10.414 ( 0.784 2.042 5.845) 6.240 10.485 ( -0.008 -2.374 3.557) 4.276 10.579 ( 0.623 2.159 -2.496) 3.358 10.610 ( 0.867 0.120 0.853) 1.222 10.686 ( 3.472 -5.135 6.005) 8.630 10.844 ( 4.029 0.004 2.016) 4.505 10.914 ( 2.221 -2.644 0.523) 3.492 11.012 ( 1.570 4.478 0.956) 4.841 11.184 ( -0.094 1.573 -0.040) 1.576 11.233 ( -0.378 -3.513 -0.366) 3.552 11.271 ( -0.024 -0.645 1.898) 2.005 11.472 ( 0.286 2.676 0.733) 2.789 11.544 ( 0.404 -0.803 -1.092) 1.414 11.637 ( -0.781 4.291 -0.970) 4.468 11.824 ( -3.029 -3.083 -5.590) 7.066 11.998 ( -0.087 1.470 -1.087) 1.830 12.045 ( -0.430 -0.484 -2.664) 2.742 12.283 ( -2.074 0.283 -1.078) 2.354 12.314 ( -0.652 -0.513 -1.805) 1.987 ======================= Grid point 60 (35/54) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -1.922 -6.848 7.146) 10.082 0.827 ( -1.922 6.848 7.146) 10.082 0.998 ( 3.411 -2.015 7.224) 8.239 0.998 ( 3.411 2.015 7.224) 8.239 1.178 ( -1.389 -1.572 -0.465) 2.149 1.178 ( -1.389 1.572 -0.465) 2.149 1.257 ( -2.073 -3.131 2.964) 4.784 1.257 ( -2.073 3.131 2.964) 4.784 1.287 ( 2.592 -0.038 2.459) 3.573 1.287 ( 2.592 0.038 2.459) 3.573 1.445 ( -1.318 -3.771 -1.870) 4.411 1.445 ( -1.318 3.771 -1.870) 4.411 1.560 ( -2.040 -5.768 -1.272) 6.249 1.560 ( -2.040 5.768 -1.272) 6.249 1.710 ( 3.977 -2.930 1.507) 5.165 1.710 ( 3.977 2.930 1.507) 5.165 1.933 ( -1.902 -6.190 8.500) 10.686 1.933 ( -1.902 6.190 8.500) 10.686 2.058 ( -0.818 -1.222 2.904) 3.255 2.058 ( -0.818 1.222 2.904) 3.255 2.178 ( 0.248 -6.449 3.188) 7.198 2.178 ( 0.248 6.449 3.188) 7.198 2.293 ( 1.445 -2.825 -3.658) 4.842 2.293 ( 1.445 2.825 -3.658) 4.842 2.511 ( 0.734 -2.268 5.570) 6.059 2.511 ( 0.734 2.268 5.570) 6.059 2.641 ( -0.029 -5.882 0.980) 5.964 2.641 ( -0.029 5.882 0.980) 5.964 2.829 ( -0.176 -1.823 -4.481) 4.840 2.829 ( -0.176 1.823 -4.481) 4.840 2.894 ( -1.347 -0.584 7.504) 7.646 2.894 ( -1.347 0.584 7.504) 7.646 3.060 ( -0.625 -2.534 0.847) 2.744 3.060 ( -0.625 2.534 0.847) 2.744 3.123 ( -0.067 -1.959 3.509) 4.019 3.123 ( -0.067 1.959 3.509) 4.019 3.259 ( 0.250 -3.150 -0.288) 3.173 3.259 ( 0.250 3.150 -0.288) 3.173 3.364 ( -0.115 -0.619 8.093) 8.118 3.364 ( -0.115 0.619 8.093) 8.118 3.550 ( 0.134 -4.988 2.857) 5.750 3.550 ( 0.134 4.988 2.857) 5.750 3.629 ( -0.115 -2.002 1.053) 2.265 3.629 ( -0.115 2.002 1.053) 2.265 3.801 ( 0.041 -5.184 -2.007) 5.559 3.801 ( 0.041 5.184 -2.007) 5.559 3.912 ( -0.544 -9.051 0.010) 9.067 3.912 ( -0.544 9.051 0.010) 9.067 4.037 ( -0.435 -1.442 0.229) 1.524 4.037 ( -0.435 1.442 0.229) 1.524 4.332 ( 0.073 -3.227 -0.742) 3.312 4.332 ( 0.073 3.227 -0.742) 3.312 4.425 ( -0.516 -2.696 -3.667) 4.580 4.425 ( -0.516 2.696 -3.667) 4.580 4.652 ( 1.357 -2.514 -5.363) 6.077 4.652 ( 1.357 2.514 -5.363) 6.077 4.703 ( -0.063 -2.168 -0.046) 2.169 4.703 ( -0.063 2.168 -0.046) 2.169 5.301 ( 0.002 -7.443 -7.540) 10.594 5.301 ( 0.002 7.443 -7.540) 10.594 6.925 ( 0.030 -1.769 7.373) 7.582 6.925 ( 0.030 1.769 7.373) 7.582 7.471 ( 0.122 -1.519 -7.506) 7.659 7.471 ( 0.122 1.519 -7.506) 7.659 8.194 ( 0.080 -3.424 -2.015) 3.974 8.194 ( 0.080 3.424 -2.015) 3.974 8.398 ( -0.184 -4.162 1.889) 4.574 8.398 ( -0.184 4.162 1.889) 4.574 8.527 ( -0.149 -2.664 -1.384) 3.005 8.527 ( -0.149 2.664 -1.384) 3.005 8.911 ( -0.164 -0.989 0.313) 1.050 8.911 ( -0.164 0.989 0.313) 1.050 9.055 ( 0.441 -2.155 -0.521) 2.261 9.055 ( 0.441 2.155 -0.521) 2.261 9.211 ( -0.104 -2.316 -4.960) 5.475 9.211 ( -0.104 2.316 -4.960) 5.475 9.405 ( 0.328 -2.495 -1.460) 2.909 9.405 ( 0.328 2.495 -1.460) 2.909 9.613 ( -0.636 -0.795 -0.430) 1.106 9.613 ( -0.636 0.795 -0.430) 1.106 9.802 ( 1.030 -0.825 -1.113) 1.727 9.802 ( 1.030 0.825 -1.113) 1.727 9.912 ( 0.616 -3.072 0.825) 3.240 9.912 ( 0.616 3.072 0.825) 3.240 10.002 ( 0.018 -3.227 -0.745) 3.312 10.002 ( 0.018 3.227 -0.745) 3.312 10.309 ( -1.461 -0.970 2.879) 3.371 10.309 ( -1.461 0.970 2.879) 3.371 10.418 ( 0.626 -2.613 5.245) 5.893 10.418 ( 0.626 2.613 5.245) 5.893 10.546 ( -0.038 -4.506 2.519) 5.163 10.546 ( -0.038 4.506 2.519) 5.163 10.649 ( 0.496 -2.092 1.100) 2.415 10.649 ( 0.496 2.092 1.100) 2.415 10.893 ( 0.551 -2.056 1.649) 2.692 10.893 ( 0.551 2.056 1.649) 2.692 11.121 ( -0.464 -4.481 -0.946) 4.603 11.121 ( -0.464 4.481 -0.946) 4.603 11.244 ( -0.255 -1.138 0.017) 1.167 11.244 ( -0.255 1.138 0.017) 1.167 11.533 ( 1.080 -2.061 0.535) 2.388 11.533 ( 1.080 2.061 0.535) 2.388 11.717 ( -1.194 -2.639 -3.929) 4.881 11.717 ( -1.194 2.639 -3.929) 4.881 12.017 ( -0.470 -0.845 -1.474) 1.763 12.017 ( -0.470 0.845 -1.474) 1.763 12.275 ( -0.308 -1.268 -0.937) 1.606 12.275 ( -0.308 1.268 -0.937) 1.606 ======================= Grid point 62 (36/54) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 0.940 -5.924 5.906) 8.418 0.820 ( 0.940 5.924 5.906) 8.418 1.049 ( 0.988 -3.212 6.328) 7.165 1.049 ( 0.988 3.212 6.328) 7.165 1.130 ( -1.800 -0.813 0.136) 1.980 1.130 ( -1.800 0.813 0.136) 1.980 1.226 ( -1.184 -1.531 2.057) 2.825 1.226 ( -1.184 1.531 2.057) 2.825 1.343 ( 0.574 -2.178 -0.087) 2.254 1.343 ( 0.574 2.178 -0.087) 2.254 1.438 ( 0.896 -4.977 -1.531) 5.283 1.438 ( 0.896 4.977 -1.531) 5.283 1.550 ( 2.540 -4.747 1.308) 5.541 1.550 ( 2.540 4.747 1.308) 5.541 1.759 ( 0.178 -2.467 1.856) 3.092 1.759 ( 0.178 2.467 1.856) 3.092 1.923 ( 0.571 -4.934 7.428) 8.936 1.923 ( 0.571 4.934 7.428) 8.936 2.044 ( -0.456 -1.402 2.831) 3.192 2.044 ( -0.456 1.402 2.831) 3.192 2.176 ( -0.544 -6.090 4.281) 7.464 2.176 ( -0.544 6.090 4.281) 7.464 2.301 ( -0.559 -2.084 -3.840) 4.404 2.301 ( -0.559 2.084 -3.840) 4.404 2.529 ( 0.672 -2.701 5.287) 5.975 2.529 ( 0.672 2.701 5.287) 5.975 2.639 ( -0.187 -5.630 0.848) 5.697 2.639 ( -0.187 5.630 0.848) 5.697 2.824 ( -0.175 -1.583 -2.927) 3.333 2.824 ( -0.175 1.583 -2.927) 3.333 2.876 ( -0.490 -0.274 6.879) 6.901 2.876 ( -0.490 0.274 6.879) 6.901 3.051 ( -0.324 -3.023 0.146) 3.044 3.051 ( -0.324 3.023 0.146) 3.044 3.125 ( 0.119 -2.036 4.046) 4.531 3.125 ( 0.119 2.036 4.046) 4.531 3.266 ( 0.399 -3.964 0.777) 4.059 3.266 ( 0.399 3.964 0.777) 4.059 3.360 ( -0.516 -1.086 7.108) 7.209 3.360 ( -0.516 1.086 7.108) 7.209 3.548 ( -0.387 -4.646 2.200) 5.156 3.548 ( -0.387 4.646 2.200) 5.156 3.630 ( 0.156 -2.435 1.408) 2.817 3.630 ( 0.156 2.435 1.408) 2.817 3.795 ( -0.616 -5.937 -1.941) 6.277 3.795 ( -0.616 5.937 -1.941) 6.277 3.910 ( 0.373 -8.477 -0.172) 8.487 3.910 ( 0.373 8.477 -0.172) 8.487 4.028 ( -0.411 -1.240 0.206) 1.322 4.028 ( -0.411 1.240 0.206) 1.322 4.327 ( -0.519 -2.663 0.255) 2.725 4.327 ( -0.519 2.663 0.255) 2.725 4.406 ( -1.115 -3.325 -3.883) 5.232 4.406 ( -1.115 3.325 -3.883) 5.232 4.653 ( -0.663 -4.795 -4.786) 6.807 4.653 ( -0.663 4.795 -4.786) 6.807 4.724 ( 1.631 -1.589 -0.986) 2.481 4.724 ( 1.631 1.589 -0.986) 2.481 5.295 ( -0.229 -7.685 -7.373) 10.652 5.295 ( -0.229 7.685 -7.373) 10.652 6.927 ( -0.165 -1.770 7.391) 7.601 6.927 ( -0.165 1.770 7.391) 7.601 7.470 ( 0.068 -1.507 -7.489) 7.639 7.470 ( 0.068 1.507 -7.489) 7.639 8.195 ( 0.078 -3.509 -2.017) 4.048 8.195 ( 0.078 3.509 -2.017) 4.048 8.394 ( -0.297 -4.020 1.883) 4.449 8.394 ( -0.297 4.020 1.883) 4.449 8.521 ( -0.320 -2.541 -1.348) 2.894 8.521 ( -0.320 2.541 -1.348) 2.894 8.910 ( 0.069 -0.760 0.240) 0.800 8.910 ( 0.069 0.760 0.240) 0.800 9.054 ( -0.484 -1.234 -0.371) 1.376 9.054 ( -0.484 1.234 -0.371) 1.376 9.205 ( -0.307 -2.845 -5.131) 5.875 9.205 ( -0.307 2.845 -5.131) 5.875 9.419 ( 1.039 -2.402 -1.577) 3.056 9.419 ( 1.039 2.402 -1.577) 3.056 9.616 ( 0.914 -2.030 -0.202) 2.236 9.616 ( 0.914 2.030 -0.202) 2.236 9.808 ( -0.422 -1.799 -1.214) 2.211 9.808 ( -0.422 1.799 -1.214) 2.211 9.921 ( 0.114 -2.410 0.478) 2.460 9.921 ( 0.114 2.410 0.478) 2.460 10.016 ( 1.450 -2.724 -1.327) 3.359 10.016 ( 1.450 2.724 -1.327) 3.359 10.288 ( -0.801 -0.843 4.221) 4.378 10.288 ( -0.801 0.843 4.221) 4.378 10.430 ( 0.456 -2.021 5.452) 5.833 10.430 ( 0.456 2.021 5.452) 5.833 10.543 ( -0.411 -3.989 2.313) 4.629 10.543 ( -0.411 3.989 2.313) 4.629 10.643 ( -1.181 -1.149 1.466) 2.205 10.643 ( -1.181 1.149 1.466) 2.205 10.877 ( -2.041 -2.769 1.171) 3.634 10.877 ( -2.041 2.769 1.171) 3.634 11.103 ( -0.946 -6.471 0.396) 6.551 11.103 ( -0.946 6.471 0.396) 6.551 11.236 ( -0.483 -0.405 -0.176) 0.655 11.236 ( -0.483 0.405 -0.176) 0.655 11.547 ( 0.014 -1.075 0.384) 1.142 11.547 ( 0.014 1.075 0.384) 1.142 11.706 ( 0.454 -2.482 -3.269) 4.130 11.706 ( 0.454 2.482 -3.269) 4.130 12.014 ( 0.184 -0.685 -2.033) 2.153 12.014 ( 0.184 0.685 -2.033) 2.153 12.288 ( 1.486 -0.392 -1.100) 1.890 12.288 ( 1.486 0.392 -1.100) 1.890 ======================= Grid point 64 (37/54) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 2.049 -7.141 3.828) 8.357 0.855 ( 2.049 7.141 3.828) 8.357 1.027 ( -2.369 -4.659 4.607) 6.967 1.027 ( -2.369 4.659 4.607) 6.967 1.130 ( 0.271 -1.276 1.833) 2.249 1.130 ( 0.271 1.276 1.833) 2.249 1.211 ( -0.154 -1.196 1.912) 2.261 1.211 ( -0.154 1.196 1.912) 2.261 1.329 ( -0.815 -3.879 -1.108) 4.116 1.329 ( -0.815 3.879 -1.108) 4.116 1.455 ( 1.279 -5.447 -2.507) 6.131 1.455 ( 1.279 5.447 -2.507) 6.131 1.632 ( 3.146 -4.304 2.535) 5.904 1.632 ( 3.146 4.304 2.535) 5.904 1.734 ( -1.721 -2.149 3.157) 4.189 1.734 ( -1.721 2.149 3.157) 4.189 1.937 ( 0.443 -4.617 7.605) 8.908 1.937 ( 0.443 4.617 7.605) 8.908 2.048 ( 0.599 -0.759 2.281) 2.478 2.048 ( 0.599 0.759 2.281) 2.478 2.168 ( -0.407 -6.386 4.387) 7.758 2.168 ( -0.407 6.386 4.387) 7.758 2.276 ( -1.683 -1.769 -4.194) 4.853 2.276 ( -1.683 1.769 -4.194) 4.853 2.533 ( -0.467 -2.770 5.333) 6.028 2.533 ( -0.467 2.770 5.333) 6.028 2.634 ( -0.336 -5.149 1.216) 5.301 2.634 ( -0.336 5.149 1.216) 5.301 2.816 ( -0.386 -1.660 -1.095) 2.026 2.816 ( -0.386 1.660 -1.095) 2.026 2.894 ( 1.854 -1.045 4.945) 5.384 2.894 ( 1.854 1.045 4.945) 5.384 3.049 ( 0.175 -3.182 -0.544) 3.233 3.049 ( 0.175 3.182 -0.544) 3.233 3.126 ( -0.261 -2.285 5.143) 5.634 3.126 ( -0.261 2.285 5.143) 5.634 3.272 ( 0.101 -3.490 0.601) 3.543 3.272 ( 0.101 3.490 0.601) 3.543 3.355 ( -0.218 -1.883 7.281) 7.523 3.355 ( -0.218 1.883 7.281) 7.523 3.541 ( -0.342 -4.345 1.960) 4.779 3.541 ( -0.342 4.345 1.960) 4.779 3.633 ( 0.077 -2.676 0.863) 2.813 3.633 ( 0.077 2.676 0.863) 2.813 3.783 ( -0.367 -6.479 -1.956) 6.778 3.783 ( -0.367 6.479 -1.956) 6.778 3.921 ( 0.625 -8.782 0.263) 8.808 3.921 ( 0.625 8.782 0.263) 8.808 4.027 ( 0.354 -0.704 -0.118) 0.797 4.027 ( 0.354 0.704 -0.118) 0.797 4.318 ( -0.324 -2.932 0.159) 2.954 4.318 ( -0.324 2.932 0.159) 2.954 4.388 ( -0.422 -2.859 -3.162) 4.284 4.388 ( -0.422 2.859 -3.162) 4.284 4.637 ( -0.698 -5.304 -4.676) 7.105 4.637 ( -0.698 5.304 -4.676) 7.105 4.744 ( 0.334 -1.566 -0.794) 1.787 4.744 ( 0.334 1.566 -0.794) 1.787 5.291 ( 0.068 -7.649 -7.380) 10.629 5.291 ( 0.068 7.649 -7.380) 10.629 6.924 ( -0.317 -1.850 7.360) 7.595 6.924 ( -0.317 1.850 7.360) 7.595 7.469 ( 0.106 -1.415 -7.439) 7.573 7.469 ( 0.106 1.415 -7.439) 7.573 8.195 ( 0.030 -3.467 -1.999) 4.002 8.195 ( 0.030 3.467 -1.999) 4.002 8.391 ( -0.044 -3.880 1.743) 4.254 8.391 ( -0.044 3.880 1.743) 4.254 8.517 ( -0.040 -2.509 -1.266) 2.811 8.517 ( -0.040 2.509 -1.266) 2.811 8.913 ( 0.201 -0.640 0.115) 0.681 8.913 ( 0.201 0.640 0.115) 0.681 9.041 ( -0.701 -3.129 -0.184) 3.212 9.041 ( -0.701 3.129 -0.184) 3.212 9.200 ( 0.072 -3.471 -5.313) 6.347 9.200 ( 0.072 3.471 -5.313) 6.347 9.433 ( 0.274 -2.476 -1.375) 2.845 9.433 ( 0.274 2.476 -1.375) 2.845 9.641 ( 1.560 -2.622 -0.171) 3.056 9.641 ( 1.560 2.622 -0.171) 3.056 9.788 ( -1.494 -2.533 -1.168) 3.164 9.788 ( -1.494 2.533 -1.168) 3.164 9.917 ( -0.427 -2.174 -0.274) 2.232 9.917 ( -0.427 2.174 -0.274) 2.232 10.041 ( 0.818 -2.328 -1.965) 3.154 10.041 ( 0.818 2.328 -1.965) 3.154 10.285 ( 0.475 -1.392 5.726) 5.912 10.285 ( 0.475 1.392 5.726) 5.912 10.437 ( -0.060 -1.340 6.246) 6.388 10.437 ( -0.060 1.340 6.246) 6.388 10.533 ( -0.593 -4.216 3.677) 5.626 10.533 ( -0.593 4.216 3.677) 5.626 10.615 ( -1.353 -1.084 1.260) 2.143 10.615 ( -1.353 1.084 1.260) 2.143 10.839 ( -1.537 -3.150 0.281) 3.516 10.839 ( -1.537 3.150 0.281) 3.516 11.095 ( 0.050 -6.972 0.905) 7.031 11.095 ( 0.050 6.972 0.905) 7.031 11.232 ( 0.089 -1.371 0.136) 1.380 11.232 ( 0.089 1.371 0.136) 1.380 11.537 ( -0.747 -0.534 0.095) 0.923 11.537 ( -0.747 0.534 0.095) 0.923 11.724 ( 1.115 -5.046 -2.092) 5.576 11.724 ( 1.115 5.046 -2.092) 5.576 12.021 ( 0.614 -1.192 -2.678) 2.995 12.021 ( 0.614 1.192 -2.678) 2.995 12.315 ( 1.102 -0.231 -1.842) 2.159 12.315 ( 1.102 0.231 -1.842) 2.159 ======================= Grid point 66 (38/54) ======================= q-point: (-0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.693 -8.852 3.644) 9.598 0.882 ( 0.693 8.852 3.644) 9.598 0.981 ( -3.047 -3.596 5.939) 7.582 0.981 ( -3.047 3.596 5.939) 7.582 1.128 ( 0.450 -1.961 2.223) 2.998 1.128 ( 0.450 1.961 2.223) 2.998 1.227 ( 1.119 -1.046 0.939) 1.797 1.227 ( 1.119 1.046 0.939) 1.797 1.328 ( 0.908 -2.426 -0.931) 2.753 1.328 ( 0.908 2.426 -0.931) 2.753 1.489 ( 2.028 -4.709 -3.103) 5.993 1.489 ( 2.028 4.709 -3.103) 5.993 1.599 ( -4.785 -5.761 3.486) 8.260 1.599 ( -4.785 5.761 3.486) 8.260 1.723 ( -1.169 -2.324 3.092) 4.040 1.723 ( -1.169 2.324 3.092) 4.040 1.955 ( 1.189 -4.470 8.372) 9.564 1.955 ( 1.189 4.470 8.372) 9.564 2.061 ( 0.529 -0.498 2.136) 2.256 2.061 ( 0.529 0.498 2.136) 2.256 2.165 ( -0.065 -6.903 2.957) 7.510 2.165 ( -0.065 6.903 2.957) 7.510 2.250 ( -0.483 -2.667 -3.884) 4.736 2.250 ( -0.483 2.667 -3.884) 4.736 2.519 ( -1.014 -2.662 5.608) 6.289 2.519 ( -1.014 2.662 5.608) 6.289 2.632 ( 0.131 -5.202 1.340) 5.373 2.632 ( 0.131 5.202 1.340) 5.373 2.815 ( 0.319 -1.691 -1.624) 2.366 2.815 ( 0.319 1.691 -1.624) 2.366 2.925 ( 0.738 -1.346 4.594) 4.844 2.925 ( 0.738 1.346 4.594) 4.844 3.058 ( 0.712 -3.734 -0.465) 3.830 3.058 ( 0.712 3.734 -0.465) 3.830 3.122 ( -0.279 -2.546 5.616) 6.173 3.122 ( -0.279 2.546 5.616) 6.173 3.269 ( -0.368 -2.596 -0.519) 2.673 3.269 ( -0.368 2.596 -0.519) 2.673 3.357 ( 0.103 -2.244 8.051) 8.358 3.357 ( 0.103 2.244 8.051) 8.358 3.538 ( -0.046 -4.400 2.510) 5.066 3.538 ( -0.046 4.400 2.510) 5.066 3.632 ( -0.100 -2.416 0.291) 2.435 3.632 ( -0.100 2.416 0.291) 2.435 3.784 ( 0.519 -5.974 -2.017) 6.326 3.784 ( 0.519 5.974 -2.017) 6.326 3.929 ( 0.094 -9.260 0.731) 9.289 3.929 ( 0.094 9.260 0.731) 9.289 4.037 ( 0.515 -0.883 -0.350) 1.080 4.037 ( 0.515 0.883 -0.350) 1.080 4.317 ( 0.232 -3.766 -0.784) 3.854 4.317 ( 0.232 3.766 -0.784) 3.854 4.394 ( 1.149 -1.757 -2.446) 3.223 4.394 ( 1.149 1.757 -2.446) 3.223 4.625 ( -0.329 -5.026 -4.715) 6.899 4.625 ( -0.329 5.026 -4.715) 6.899 4.738 ( -0.822 -1.543 -0.302) 1.775 4.738 ( -0.822 1.543 -0.302) 1.775 5.293 ( 0.433 -7.388 -7.520) 10.551 5.293 ( 0.433 7.388 -7.520) 10.551 6.922 ( -0.208 -1.892 7.324) 7.568 6.922 ( -0.208 1.892 7.324) 7.568 7.469 ( 0.186 -1.372 -7.421) 7.549 7.469 ( 0.186 1.372 -7.421) 7.549 8.195 ( -0.015 -3.354 -1.984) 3.897 8.195 ( -0.015 3.354 -1.984) 3.897 8.394 ( 0.222 -3.919 1.670) 4.266 8.394 ( 0.222 3.919 1.670) 4.266 8.520 ( 0.326 -2.613 -1.236) 2.908 8.520 ( 0.326 2.613 -1.236) 2.908 8.916 ( 0.095 -0.869 0.114) 0.882 8.916 ( 0.095 0.869 0.114) 0.882 9.033 ( -0.071 -4.377 -0.191) 4.381 9.033 ( -0.071 4.377 -0.191) 4.381 9.204 ( 0.440 -3.502 -5.267) 6.341 9.204 ( 0.440 3.502 -5.267) 6.341 9.428 ( -0.700 -2.573 -1.153) 2.905 9.428 ( -0.700 2.573 -1.153) 2.905 9.660 ( -0.047 -1.225 -0.477) 1.315 9.660 ( -0.047 1.225 -0.477) 1.315 9.764 ( -0.479 -1.203 -0.916) 1.585 9.764 ( -0.479 1.203 -0.916) 1.585 9.909 ( -0.384 -2.600 -0.396) 2.658 9.909 ( -0.384 2.600 -0.396) 2.658 10.037 ( -1.031 -2.480 -1.460) 3.057 10.037 ( -1.031 2.480 -1.460) 3.057 10.311 ( 1.705 -2.730 4.684) 5.684 10.311 ( 1.705 2.730 4.684) 5.684 10.425 ( -1.347 -0.074 6.260) 6.404 10.425 ( -1.347 0.074 6.260) 6.404 10.533 ( 0.418 -5.136 5.165) 7.296 10.533 ( 0.418 5.136 5.165) 7.296 10.607 ( 0.536 -1.270 0.887) 1.639 10.607 ( 0.536 1.270 0.887) 1.639 10.829 ( 0.590 -2.523 0.011) 2.591 10.829 ( 0.590 2.523 0.011) 2.591 11.102 ( 0.605 -6.709 0.405) 6.749 11.102 ( 0.605 6.709 0.405) 6.749 11.237 ( 0.386 -2.046 0.557) 2.156 11.237 ( 0.386 2.046 0.557) 2.156 11.525 ( -0.484 -1.287 -0.029) 1.375 11.525 ( -0.484 1.287 -0.029) 1.375 11.738 ( 0.429 -5.616 -1.987) 5.973 11.738 ( 0.429 5.616 -1.987) 5.973 12.030 ( 0.259 -1.425 -2.619) 2.993 12.030 ( 0.259 1.425 -2.619) 2.993 12.321 ( -0.519 -0.304 -2.206) 2.286 12.321 ( -0.519 0.304 -2.206) 2.286 ======================= Grid point 68 (39/54) ======================= q-point: (-0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -2.566 -9.431 5.877) 11.405 0.877 ( -2.566 9.431 5.877) 11.405 0.943 ( 0.878 -3.106 7.713) 8.361 0.943 ( 0.878 3.106 7.713) 8.361 1.159 ( 2.251 -1.288 1.153) 2.838 1.159 ( 2.251 1.288 1.153) 2.838 1.240 ( 0.636 -0.615 0.483) 1.009 1.240 ( 0.636 0.615 0.483) 1.009 1.336 ( -1.966 -2.903 1.342) 3.754 1.336 ( -1.966 2.903 1.342) 3.754 1.476 ( -2.566 -2.426 -1.013) 3.674 1.476 ( -2.566 2.426 -1.013) 3.674 1.566 ( 1.536 -8.239 -2.040) 8.626 1.566 ( 1.536 8.239 -2.040) 8.626 1.684 ( -1.978 -2.184 4.449) 5.336 1.684 ( -1.978 2.184 4.449) 5.336 1.964 ( -0.996 -4.966 8.583) 9.966 1.964 ( -0.996 4.966 8.583) 9.966 2.066 ( -0.091 -0.574 2.578) 2.643 2.066 ( -0.091 0.574 2.578) 2.643 2.169 ( 0.467 -6.898 1.925) 7.177 2.169 ( 0.467 6.898 1.925) 7.177 2.262 ( 1.622 -3.106 -3.432) 4.904 2.262 ( 1.622 3.106 -3.432) 4.904 2.506 ( -0.427 -2.341 5.681) 6.159 2.506 ( -0.427 2.341 5.681) 6.159 2.638 ( 0.320 -5.685 1.159) 5.811 2.638 ( 0.320 5.685 1.159) 5.811 2.825 ( 0.683 -1.838 -3.212) 3.763 2.825 ( 0.683 1.838 -3.212) 3.763 2.919 ( -1.316 -0.873 5.694) 5.909 2.919 ( -1.316 0.873 5.694) 5.909 3.068 ( 0.050 -3.388 0.444) 3.418 3.068 ( 0.050 3.388 0.444) 3.418 3.122 ( 0.075 -1.931 4.495) 4.893 3.122 ( 0.075 1.931 4.495) 4.893 3.261 ( -0.375 -2.431 -0.964) 2.642 3.261 ( -0.375 2.431 -0.964) 2.642 3.361 ( 0.034 -1.872 8.505) 8.708 3.361 ( 0.034 1.872 8.505) 8.708 3.542 ( 0.411 -4.628 3.126) 5.599 3.542 ( 0.411 4.628 3.126) 5.599 3.631 ( -0.091 -2.088 0.343) 2.117 3.631 ( -0.091 2.088 0.343) 2.117 3.796 ( 0.605 -5.037 -2.019) 5.460 3.796 ( 0.605 5.037 -2.019) 5.460 3.924 ( -0.575 -9.639 0.621) 9.676 3.924 ( -0.575 9.639 0.621) 9.676 4.042 ( -0.019 -1.140 -0.141) 1.149 4.042 ( -0.019 1.140 -0.141) 1.149 4.325 ( 0.585 -3.867 -1.402) 4.154 4.325 ( 0.585 3.867 -1.402) 4.154 4.420 ( 1.196 -1.698 -2.744) 3.441 4.420 ( 1.196 1.698 -2.744) 3.441 4.627 ( 0.855 -3.775 -4.706) 6.093 4.627 ( 0.855 3.775 -4.706) 6.093 4.718 ( -1.117 -2.084 -0.229) 2.376 4.718 ( -1.117 2.084 -0.229) 2.376 5.299 ( 0.409 -7.275 -7.609) 10.535 5.299 ( 0.409 7.275 -7.609) 10.535 6.922 ( -0.011 -1.847 7.331) 7.560 6.922 ( -0.011 1.847 7.331) 7.560 7.471 ( 0.199 -1.438 -7.463) 7.603 7.471 ( 0.199 1.438 -7.463) 7.603 8.194 ( 0.009 -3.323 -1.993) 3.875 8.194 ( 0.009 3.323 -1.993) 3.875 8.398 ( 0.139 -4.097 1.756) 4.460 8.398 ( 0.139 4.097 1.756) 4.460 8.526 ( 0.303 -2.705 -1.312) 3.021 8.526 ( 0.303 2.705 -1.312) 3.021 8.915 ( -0.220 -1.039 0.254) 1.092 8.915 ( -0.220 1.039 0.254) 1.092 9.041 ( 0.846 -4.170 -0.380) 4.272 9.041 ( 0.846 4.170 -0.380) 4.272 9.210 ( 0.369 -2.886 -5.055) 5.832 9.210 ( 0.369 2.886 -5.055) 5.832 9.411 ( -0.817 -2.564 -1.240) 2.963 9.411 ( -0.817 2.564 -1.240) 2.963 9.638 ( -1.745 -0.675 -0.649) 1.981 9.638 ( -1.745 0.675 -0.649) 1.981 9.776 ( 1.449 -1.072 -0.783) 1.965 9.776 ( 1.449 1.072 -0.783) 1.965 9.905 ( 0.066 -3.016 0.145) 3.020 9.905 ( 0.066 3.016 0.145) 3.020 10.014 ( -1.141 -2.820 -0.664) 3.113 10.014 ( -1.141 2.820 -0.664) 3.113 10.330 ( -0.303 -1.725 2.573) 3.112 10.330 ( -0.303 1.725 2.573) 3.112 10.408 ( -0.190 -1.927 6.005) 6.309 10.408 ( -0.190 1.927 6.005) 6.309 10.543 ( 0.306 -5.302 3.825) 6.545 10.543 ( 0.306 5.302 3.825) 6.545 10.629 ( 1.389 -1.348 1.327) 2.347 10.629 ( 1.389 1.348 1.327) 2.347 10.860 ( 2.362 -2.057 0.951) 3.273 10.860 ( 2.362 2.057 0.951) 3.273 11.116 ( 0.753 -5.588 -0.637) 5.675 11.116 ( 0.753 5.588 -0.637) 5.675 11.244 ( 0.243 -1.976 0.634) 2.089 11.244 ( 0.243 1.976 0.634) 2.089 11.521 ( 0.112 -1.904 0.135) 1.912 11.521 ( 0.112 1.904 0.135) 1.912 11.737 ( -0.540 -5.345 -2.929) 6.119 11.737 ( -0.540 5.345 -2.929) 6.119 12.028 ( -0.390 -1.317 -2.016) 2.439 12.028 ( -0.390 1.317 -2.016) 2.439 12.297 ( -1.617 -1.025 -1.761) 2.601 12.297 ( -1.617 1.025 -1.761) 2.601 ======================= Grid point 75 (40/54) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.919 0.000 6.592) 6.655 1.059 ( -1.323 0.000 1.097) 1.719 1.086 ( 1.016 0.000 8.018) 8.083 1.115 ( 1.031 0.000 0.885) 1.359 1.160 ( 0.516 0.000 0.590) 0.784 1.192 ( -2.764 0.000 -2.828) 3.955 1.250 ( -3.952 0.000 6.724) 7.799 1.318 ( 0.530 0.000 0.956) 1.093 1.321 ( 0.156 0.000 1.136) 1.146 1.454 ( 4.717 0.000 -6.127) 7.732 1.473 ( 0.468 0.000 0.189) 0.505 1.496 ( 2.772 0.000 1.920) 3.372 1.542 ( -3.787 0.000 8.279) 9.104 1.569 ( 3.065 0.000 3.552) 4.692 1.761 ( 1.682 0.000 -3.446) 3.835 1.770 ( -2.023 0.000 -6.161) 6.485 1.819 ( -1.132 0.000 3.243) 3.435 1.910 ( 0.646 0.000 -4.540) 4.586 2.063 ( -0.533 0.000 2.541) 2.597 2.161 ( -0.124 0.000 -6.735) 6.736 2.257 ( 0.681 0.000 2.640) 2.726 2.266 ( 0.344 0.000 3.731) 3.747 2.330 ( -0.731 0.000 -3.490) 3.566 2.335 ( -0.700 0.000 -1.242) 1.426 2.441 ( -0.694 0.000 1.702) 1.838 2.442 ( -0.022 0.000 2.452) 2.452 2.663 ( 0.518 0.000 5.288) 5.313 2.719 ( 0.369 0.000 -1.922) 1.957 2.807 ( -0.501 0.000 2.464) 2.515 2.849 ( 0.155 0.000 -1.653) 1.660 2.991 ( -0.151 0.000 2.218) 2.223 3.001 ( 0.930 0.000 0.351) 0.994 3.079 ( -0.899 0.000 4.414) 4.505 3.136 ( -0.322 0.000 4.750) 4.761 3.158 ( -0.404 0.000 -1.499) 1.552 3.169 ( 0.216 0.000 -1.476) 1.492 3.180 ( 0.210 0.000 -1.821) 1.833 3.219 ( 0.082 0.000 -2.980) 2.981 3.361 ( -0.478 0.000 2.775) 2.816 3.429 ( 0.570 0.000 -3.078) 3.130 3.628 ( -0.605 0.000 9.627) 9.646 3.675 ( 0.219 0.000 0.337) 0.402 3.679 ( 0.283 0.000 12.859) 12.862 3.756 ( -0.332 0.000 4.777) 4.788 3.794 ( 0.526 0.000 -3.617) 3.655 3.817 ( -1.873 0.000 11.160) 11.316 3.940 ( 1.091 0.000 -2.437) 2.670 3.991 ( -1.418 0.000 -0.587) 1.534 4.063 ( 0.080 0.000 -6.074) 6.074 4.122 ( 0.088 0.000 -15.821) 15.822 4.195 ( 0.334 0.000 0.714) 0.788 4.235 ( 1.112 0.000 -6.491) 6.585 4.368 ( -0.466 0.000 11.021) 11.031 4.440 ( -1.348 0.000 -2.414) 2.765 4.454 ( 0.820 0.000 3.442) 3.538 4.662 ( 0.139 0.000 0.321) 0.350 4.666 ( 0.968 0.000 -2.544) 2.722 4.720 ( -0.268 0.000 -12.497) 12.500 5.031 ( -0.534 0.000 9.478) 9.493 5.247 ( 0.470 0.000 -10.684) 10.694 7.044 ( -0.017 0.000 8.872) 8.872 7.146 ( -0.136 0.000 8.944) 8.945 7.237 ( 0.091 0.000 -9.469) 9.470 7.332 ( 0.219 0.000 -8.788) 8.791 8.173 ( -0.160 0.000 2.373) 2.379 8.232 ( 0.208 0.000 -3.238) 3.245 8.309 ( -0.123 0.000 1.351) 1.357 8.346 ( 0.097 0.000 -1.920) 1.922 8.553 ( -0.097 0.000 1.013) 1.018 8.576 ( -0.060 0.000 -1.165) 1.167 8.882 ( 0.017 0.000 0.626) 0.626 8.900 ( -0.035 0.000 -0.918) 0.919 9.032 ( 1.873 0.000 1.679) 2.516 9.089 ( -0.226 0.000 -3.621) 3.628 9.128 ( -1.174 0.000 1.460) 1.874 9.188 ( 0.060 0.000 -4.261) 4.262 9.340 ( -0.143 0.000 2.031) 2.036 9.391 ( -0.309 0.000 -2.852) 2.869 9.642 ( -1.768 0.000 1.276) 2.180 9.658 ( 1.848 0.000 0.091) 1.850 9.781 ( 1.785 0.000 0.824) 1.966 9.798 ( -2.225 0.000 -0.645) 2.317 9.821 ( 0.458 0.000 -0.752) 0.881 9.842 ( 0.459 0.000 -2.018) 2.070 10.001 ( 0.530 0.000 1.507) 1.597 10.055 ( -0.062 0.000 -2.781) 2.782 10.360 ( -0.283 0.000 2.771) 2.785 10.379 ( -0.017 0.000 0.981) 0.981 10.448 ( -0.376 0.000 0.527) 0.648 10.448 ( 0.257 0.000 0.141) 0.293 10.574 ( -1.114 0.000 2.539) 2.773 10.575 ( 0.475 0.000 6.999) 7.015 10.624 ( 0.875 0.000 -1.624) 1.845 10.704 ( -0.033 0.000 -4.705) 4.705 10.961 ( 1.278 0.000 0.541) 1.388 10.969 ( -2.704 0.000 -0.250) 2.715 11.050 ( 0.031 0.000 4.736) 4.737 11.141 ( -0.068 0.000 -3.108) 3.108 11.302 ( -1.149 0.000 2.043) 2.344 11.336 ( 3.894 0.000 -0.991) 4.018 11.514 ( 1.013 0.000 2.393) 2.598 11.548 ( 1.855 0.000 -1.327) 2.280 11.562 ( -0.662 0.000 1.868) 1.982 11.623 ( -4.111 0.000 -3.911) 5.674 11.980 ( 0.326 0.000 0.317) 0.455 11.998 ( -0.757 0.000 -1.417) 1.606 12.272 ( 0.455 0.000 0.312) 0.551 12.285 ( -0.272 0.000 -0.995) 1.032 ======================= Grid point 76 (41/54) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.157 0.000 5.048) 5.050 0.991 ( -3.784 0.000 9.061) 9.819 1.111 ( -1.668 0.000 1.985) 2.593 1.125 ( -0.037 0.000 0.186) 0.190 1.148 ( 0.853 0.000 -2.274) 2.429 1.180 ( 1.254 0.000 1.477) 1.938 1.212 ( -0.374 0.000 2.316) 2.345 1.308 ( -1.968 0.000 1.258) 2.335 1.344 ( 1.110 0.000 -0.207) 1.130 1.389 ( -3.358 0.000 2.291) 4.065 1.515 ( -1.445 0.000 5.348) 5.539 1.524 ( 0.637 0.000 -1.625) 1.745 1.608 ( 7.930 0.000 -6.425) 10.206 1.635 ( 2.990 0.000 8.492) 9.003 1.719 ( -2.553 0.000 -5.126) 5.727 1.766 ( -1.017 0.000 2.269) 2.487 1.848 ( 3.599 0.000 -3.940) 5.337 1.917 ( 0.135 0.000 -3.112) 3.115 2.048 ( -1.203 0.000 2.992) 3.225 2.157 ( -0.006 0.000 -6.867) 6.867 2.274 ( 0.184 0.000 5.184) 5.187 2.274 ( 0.685 0.000 2.911) 2.991 2.326 ( 0.491 0.000 -3.258) 3.294 2.330 ( 0.350 0.000 -1.639) 1.675 2.430 ( -0.490 0.000 2.099) 2.155 2.442 ( 0.026 0.000 2.872) 2.872 2.661 ( -0.880 0.000 4.232) 4.323 2.732 ( 0.847 0.000 -2.085) 2.250 2.804 ( 0.257 0.000 2.046) 2.062 2.855 ( 0.458 0.000 -1.335) 1.412 2.974 ( -1.403 0.000 1.405) 1.986 2.997 ( -1.216 0.000 0.030) 1.217 3.071 ( -0.252 0.000 5.695) 5.700 3.128 ( -0.634 0.000 4.798) 4.840 3.157 ( -0.607 0.000 -0.261) 0.661 3.172 ( 0.985 0.000 -2.542) 2.726 3.179 ( -0.145 0.000 -1.486) 1.493 3.218 ( -0.013 0.000 -2.820) 2.820 3.357 ( -0.078 0.000 2.169) 2.170 3.432 ( -0.155 0.000 -2.293) 2.298 3.619 ( -0.577 0.000 8.784) 8.803 3.673 ( -0.403 0.000 -0.024) 0.404 3.687 ( 0.041 0.000 14.184) 14.184 3.756 ( 0.148 0.000 2.328) 2.332 3.786 ( -1.420 0.000 13.335) 13.410 3.799 ( 0.140 0.000 -3.336) 3.339 3.962 ( 0.956 0.000 -2.445) 2.625 3.976 ( -0.022 0.000 -0.708) 0.709 4.059 ( -0.228 0.000 -5.384) 5.389 4.108 ( -0.786 0.000 -13.802) 13.824 4.202 ( 0.396 0.000 -0.507) 0.643 4.253 ( 0.747 0.000 -7.965) 8.000 4.360 ( -0.769 0.000 11.541) 11.567 4.407 ( -1.597 0.000 -2.772) 3.199 4.450 ( -1.243 0.000 5.322) 5.465 4.676 ( 1.065 0.000 -0.683) 1.265 4.680 ( 0.497 0.000 -4.766) 4.792 4.723 ( 0.984 0.000 -10.605) 10.650 5.025 ( -0.354 0.000 9.680) 9.687 5.250 ( 0.224 0.000 -10.597) 10.600 7.045 ( -0.221 0.000 8.906) 8.908 7.146 ( -0.203 0.000 8.858) 8.861 7.236 ( 0.166 0.000 -9.576) 9.577 7.332 ( 0.042 0.000 -8.803) 8.803 8.172 ( -0.047 0.000 2.339) 2.339 8.235 ( 0.114 0.000 -3.147) 3.149 8.306 ( -0.228 0.000 1.266) 1.286 8.343 ( -0.236 0.000 -1.876) 1.891 8.549 ( -0.266 0.000 1.090) 1.122 8.572 ( -0.267 0.000 -1.053) 1.087 8.883 ( 0.091 0.000 0.531) 0.538 8.899 ( -0.023 0.000 -0.797) 0.798 9.020 ( -2.348 0.000 1.383) 2.725 9.064 ( -1.614 0.000 -4.551) 4.829 9.149 ( 2.428 0.000 1.319) 2.763 9.209 ( 1.685 0.000 -3.674) 4.042 9.339 ( 0.049 0.000 2.424) 2.424 9.389 ( 0.183 0.000 -2.436) 2.443 9.618 ( -0.657 0.000 1.315) 1.470 9.688 ( 0.401 0.000 0.047) 0.404 9.766 ( -0.158 0.000 -0.309) 0.347 9.797 ( 0.105 0.000 0.066) 0.124 9.832 ( 0.591 0.000 -1.192) 1.330 9.870 ( 1.931 0.000 -2.031) 2.803 10.008 ( 0.053 0.000 1.489) 1.490 10.053 ( -0.018 0.000 -3.307) 3.307 10.356 ( -0.218 0.000 2.760) 2.769 10.382 ( 0.174 0.000 1.091) 1.105 10.450 ( 0.536 0.000 0.749) 0.921 10.452 ( 0.077 0.000 0.658) 0.662 10.555 ( -0.601 0.000 1.507) 1.623 10.587 ( 0.397 0.000 5.181) 5.196 10.639 ( 0.822 0.000 0.379) 0.906 10.712 ( 0.833 0.000 -4.168) 4.251 10.868 ( -6.590 0.000 3.742) 7.578 10.958 ( -1.530 0.000 0.122) 1.535 11.053 ( 0.027 0.000 4.631) 4.631 11.139 ( 0.009 0.000 -3.116) 3.116 11.289 ( -0.169 0.000 1.400) 1.410 11.388 ( 1.015 0.000 -3.735) 3.870 11.487 ( -2.124 0.000 0.870) 2.295 11.511 ( -3.427 0.000 -1.878) 3.908 11.603 ( 2.942 0.000 4.310) 5.219 11.651 ( 4.878 0.000 -2.873) 5.661 11.984 ( 0.027 0.000 0.612) 0.612 11.986 ( -0.288 0.000 -1.029) 1.068 12.284 ( 0.237 0.000 -0.905) 0.935 12.288 ( 0.956 0.000 -0.198) 0.976 ======================= Grid point 77 (42/54) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.510 0.000 6.958) 6.977 0.999 ( 0.677 0.000 1.537) 1.679 1.071 ( -1.491 0.000 1.980) 2.478 1.118 ( -0.710 0.000 -0.601) 0.931 1.181 ( 1.700 0.000 -0.000) 1.700 1.196 ( 0.086 0.000 0.778) 0.782 1.226 ( 1.539 0.000 1.730) 2.316 1.261 ( -1.701 0.000 1.745) 2.437 1.346 ( -0.786 0.000 -0.161) 0.803 1.358 ( -0.778 0.000 -0.162) 0.795 1.473 ( -3.056 0.000 7.603) 8.194 1.549 ( 2.154 0.000 -3.271) 3.916 1.664 ( 0.007 0.000 5.360) 5.360 1.691 ( 0.501 0.000 -3.235) 3.274 1.738 ( 5.239 0.000 -4.060) 6.628 1.738 ( -2.641 0.000 2.279) 3.488 1.900 ( 1.162 0.000 -0.657) 1.335 1.905 ( -1.417 0.000 -1.702) 2.214 2.033 ( 0.248 0.000 1.603) 1.622 2.159 ( 0.517 0.000 -7.795) 7.812 2.270 ( -0.737 0.000 5.597) 5.645 2.276 ( -0.510 0.000 3.217) 3.257 2.343 ( 1.164 0.000 -3.015) 3.232 2.344 ( 0.923 0.000 -1.309) 1.602 2.429 ( 0.384 0.000 1.911) 1.949 2.445 ( 0.047 0.000 2.392) 2.392 2.643 ( -0.918 0.000 5.796) 5.868 2.742 ( 0.162 0.000 -3.231) 3.235 2.814 ( 0.496 0.000 1.884) 1.948 2.861 ( 0.148 0.000 -1.684) 1.690 2.954 ( -0.529 0.000 1.663) 1.745 2.971 ( -1.179 0.000 0.159) 1.189 3.072 ( 0.305 0.000 5.499) 5.507 3.120 ( -0.251 0.000 4.239) 4.247 3.141 ( -0.689 0.000 -1.194) 1.379 3.177 ( -0.055 0.000 -0.283) 0.288 3.189 ( 0.498 0.000 -2.885) 2.928 3.221 ( 0.414 0.000 -2.210) 2.249 3.359 ( 0.271 0.000 2.006) 2.024 3.424 ( -0.508 0.000 -2.067) 2.128 3.615 ( 0.002 0.000 7.754) 7.754 3.664 ( -0.461 0.000 0.134) 0.480 3.689 ( -0.472 0.000 15.549) 15.556 3.752 ( -0.506 0.000 7.838) 7.854 3.792 ( 1.401 0.000 6.776) 6.919 3.796 ( -0.353 0.000 -3.037) 3.058 3.964 ( -0.738 0.000 -1.739) 1.890 3.989 ( 1.209 0.000 -0.609) 1.353 4.057 ( 0.416 0.000 -6.735) 6.748 4.089 ( -0.636 0.000 -13.257) 13.272 4.208 ( 0.216 0.000 -0.995) 1.018 4.254 ( -0.340 0.000 -7.732) 7.739 4.348 ( -0.790 0.000 8.883) 8.918 4.393 ( 0.433 0.000 -3.236) 3.265 4.426 ( -1.260 0.000 8.676) 8.767 4.680 ( -0.257 0.000 -4.865) 4.872 4.689 ( 0.216 0.000 -0.039) 0.220 4.740 ( 0.943 0.000 -10.457) 10.500 5.026 ( 0.163 0.000 9.654) 9.655 5.248 ( -0.074 0.000 -10.524) 10.525 7.042 ( -0.339 0.000 9.011) 9.017 7.145 ( -0.215 0.000 8.816) 8.818 7.236 ( 0.248 0.000 -9.645) 9.649 7.329 ( 0.022 0.000 -8.713) 8.713 8.173 ( 0.084 0.000 2.373) 2.374 8.234 ( -0.066 0.000 -3.063) 3.064 8.303 ( -0.037 0.000 1.116) 1.116 8.338 ( -0.211 0.000 -1.809) 1.822 8.546 ( -0.073 0.000 1.009) 1.011 8.568 ( -0.064 0.000 -1.074) 1.075 8.885 ( 0.034 0.000 0.432) 0.433 8.899 ( 0.023 0.000 -0.759) 0.759 8.978 ( -1.846 0.000 2.380) 3.012 9.041 ( -0.459 0.000 -4.528) 4.551 9.185 ( 1.074 0.000 0.560) 1.212 9.233 ( 0.811 0.000 -3.844) 3.929 9.343 ( 0.148 0.000 2.628) 2.632 9.396 ( 0.508 0.000 -2.594) 2.643 9.619 ( 0.671 0.000 1.660) 1.791 9.668 ( -1.724 0.000 -0.256) 1.743 9.794 ( -0.455 0.000 -0.027) 0.456 9.795 ( 2.227 0.000 -0.222) 2.238 9.838 ( -0.070 0.000 -0.596) 0.600 9.893 ( 0.363 0.000 -2.869) 2.892 10.002 ( -0.734 0.000 1.888) 2.025 10.054 ( 0.230 0.000 -3.331) 3.339 10.355 ( 0.078 0.000 2.837) 2.839 10.384 ( 0.062 0.000 0.605) 0.609 10.448 ( -0.430 0.000 1.310) 1.379 10.465 ( 0.923 0.000 -0.137) 0.933 10.560 ( 0.952 0.000 1.032) 1.404 10.584 ( -0.840 0.000 1.822) 2.007 10.647 ( -0.791 0.000 4.807) 4.871 10.728 ( 0.895 0.000 -3.547) 3.658 10.782 ( -1.282 0.000 7.285) 7.397 10.916 ( -2.406 0.000 -1.925) 3.082 11.054 ( -0.148 0.000 4.576) 4.578 11.140 ( 0.161 0.000 -3.088) 3.092 11.298 ( 0.943 0.000 1.697) 1.942 11.366 ( -2.645 0.000 -2.002) 3.318 11.456 ( -1.100 0.000 0.995) 1.483 11.480 ( 0.047 0.000 -2.324) 2.325 11.645 ( 1.107 0.000 4.384) 4.521 11.731 ( 3.194 0.000 -5.280) 6.171 11.981 ( -0.290 0.000 0.506) 0.583 11.989 ( 0.538 0.000 -1.068) 1.196 12.291 ( 0.427 0.000 -0.557) 0.702 12.300 ( 0.231 0.000 -0.800) 0.833 ======================= Grid point 78 (43/54) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.834 0.000 4.659) 5.007 1.015 ( 0.745 0.000 0.294) 0.801 1.067 ( 0.924 0.000 4.583) 4.675 1.103 ( -0.666 0.000 -0.929) 1.143 1.178 ( -1.451 0.000 0.730) 1.624 1.201 ( 0.493 0.000 0.440) 0.661 1.261 ( 0.952 0.000 -0.813) 1.251 1.263 ( 1.634 0.000 1.265) 2.066 1.341 ( 1.521 0.000 0.623) 1.644 1.353 ( 0.353 0.000 -0.544) 0.649 1.425 ( -1.403 0.000 7.811) 7.936 1.560 ( -2.712 0.000 0.416) 2.744 1.641 ( -5.629 0.000 1.647) 5.865 1.682 ( 1.308 0.000 -0.375) 1.361 1.717 ( 1.185 0.000 1.038) 1.576 1.787 ( -0.730 0.000 -0.454) 0.860 1.879 ( 0.064 0.000 -5.158) 5.159 1.890 ( -1.628 0.000 3.576) 3.929 2.056 ( 1.317 0.000 -0.020) 1.317 2.166 ( 0.358 0.000 -8.052) 8.060 2.258 ( -0.436 0.000 4.593) 4.614 2.262 ( -0.906 0.000 3.649) 3.760 2.356 ( 0.277 0.000 -1.143) 1.176 2.358 ( 0.308 0.000 -3.154) 3.169 2.442 ( 0.703 0.000 1.437) 1.599 2.442 ( -0.273 0.000 1.747) 1.769 2.637 ( 0.040 0.000 7.717) 7.717 2.735 ( -0.646 0.000 -3.796) 3.851 2.820 ( -0.011 0.000 2.201) 2.201 2.859 ( -0.311 0.000 -2.185) 2.207 2.957 ( 0.717 0.000 2.161) 2.277 2.961 ( 0.096 0.000 0.321) 0.335 3.088 ( 0.937 0.000 4.748) 4.840 3.122 ( 0.353 0.000 3.798) 3.814 3.138 ( 0.525 0.000 -1.478) 1.568 3.175 ( -0.158 0.000 -0.141) 0.212 3.189 ( -0.284 0.000 -2.865) 2.879 3.222 ( -0.230 0.000 -2.590) 2.600 3.367 ( 0.365 0.000 2.514) 2.540 3.415 ( -0.214 0.000 -2.634) 2.642 3.623 ( 0.405 0.000 7.773) 7.783 3.660 ( 0.081 0.000 0.587) 0.593 3.680 ( -0.889 0.000 15.113) 15.139 3.753 ( 0.248 0.000 8.334) 8.338 3.788 ( -0.288 0.000 -3.137) 3.150 3.823 ( 1.364 0.000 6.190) 6.339 3.942 ( -1.096 0.000 -1.668) 1.996 4.012 ( 1.035 0.000 -0.363) 1.096 4.064 ( 0.135 0.000 -6.769) 6.770 4.084 ( 1.068 0.000 -15.288) 15.326 4.205 ( -0.585 0.000 -0.168) 0.608 4.240 ( -0.690 0.000 -7.017) 7.051 4.346 ( 0.579 0.000 5.830) 5.858 4.414 ( -0.292 0.000 10.062) 10.066 4.417 ( 1.860 0.000 -3.027) 3.552 4.669 ( -0.739 0.000 -3.258) 3.341 4.685 ( -0.618 0.000 1.083) 1.247 4.746 ( 0.073 0.000 -11.646) 11.646 5.034 ( 0.145 0.000 9.447) 9.448 5.243 ( -0.001 0.000 -10.583) 10.583 7.040 ( -0.206 0.000 9.029) 9.032 7.145 ( -0.149 0.000 8.870) 8.871 7.238 ( 0.237 0.000 -9.585) 9.588 7.328 ( 0.193 0.000 -8.642) 8.645 8.176 ( 0.037 0.000 2.419) 2.420 8.231 ( -0.065 0.000 -3.125) 3.125 8.305 ( 0.159 0.000 1.134) 1.145 8.337 ( 0.150 0.000 -1.794) 1.800 8.548 ( 0.175 0.000 0.868) 0.885 8.569 ( 0.237 0.000 -1.204) 1.227 8.885 ( -0.080 0.000 0.460) 0.467 8.899 ( 0.078 0.000 -0.845) 0.849 8.961 ( 0.036 0.000 3.114) 3.114 9.045 ( 1.008 0.000 -3.970) 4.096 9.189 ( -0.639 0.000 0.430) 0.770 9.234 ( -0.594 0.000 -4.064) 4.107 9.344 ( -0.064 0.000 2.286) 2.287 9.403 ( 0.244 0.000 -3.167) 3.177 9.640 ( -1.028 0.000 -0.101) 1.033 9.642 ( 1.520 0.000 2.044) 2.547 9.777 ( -1.324 0.000 0.099) 1.328 9.822 ( 0.098 0.000 -3.138) 3.140 9.836 ( 0.338 0.000 2.561) 2.583 9.880 ( -1.375 0.000 -2.922) 3.229 9.990 ( -0.365 0.000 2.048) 2.080 10.057 ( 0.172 0.000 -2.768) 2.773 10.360 ( 0.199 0.000 2.883) 2.890 10.384 ( -0.096 0.000 0.203) 0.224 10.443 ( -0.105 0.000 1.135) 1.140 10.477 ( 0.070 0.000 -1.177) 1.179 10.567 ( -0.601 0.000 0.872) 1.059 10.579 ( 0.736 0.000 1.662) 1.818 10.618 ( -1.566 0.000 6.738) 6.918 10.737 ( -0.120 0.000 -3.230) 3.233 10.830 ( 5.065 0.000 6.853) 8.522 10.888 ( 0.091 0.000 -2.997) 2.998 11.051 ( -0.235 0.000 4.585) 4.591 11.142 ( 0.156 0.000 -3.062) 3.066 11.316 ( -2.237 0.000 -0.361) 2.266 11.318 ( 0.807 0.000 2.561) 2.685 11.448 ( 0.322 0.000 1.106) 1.152 11.492 ( 1.069 0.000 -2.774) 2.973 11.644 ( -1.310 0.000 3.361) 3.607 11.756 ( -0.371 0.000 -6.394) 6.405 11.976 ( -0.216 0.000 0.178) 0.280 12.001 ( 0.631 0.000 -1.347) 1.488 12.294 ( -0.839 0.000 -0.763) 1.134 12.296 ( 0.044 0.000 -0.452) 0.454 ======================= Grid point 79 (44/54) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.983 0.000 4.155) 4.270 1.017 ( 2.895 0.000 3.088) 4.233 1.092 ( 0.649 0.000 4.826) 4.869 1.099 ( 0.399 0.000 -0.103) 0.412 1.160 ( -0.428 0.000 0.422) 0.601 1.210 ( 0.421 0.000 -0.435) 0.605 1.275 ( 0.182 0.000 3.723) 3.727 1.288 ( 2.137 0.000 -1.330) 2.517 1.373 ( 2.172 0.000 -4.116) 4.654 1.405 ( 0.411 0.000 3.988) 4.009 1.441 ( 2.319 0.000 5.695) 6.149 1.442 ( -4.627 0.000 3.330) 5.700 1.555 ( -2.262 0.000 -0.976) 2.464 1.660 ( -6.705 0.000 7.198) 9.837 1.728 ( 2.251 0.000 -1.953) 2.980 1.783 ( 0.725 0.000 -4.923) 4.976 1.854 ( -2.224 0.000 3.666) 4.288 1.896 ( 1.056 0.000 -5.746) 5.842 2.068 ( 0.006 0.000 1.482) 1.482 2.165 ( -0.077 0.000 -7.179) 7.179 2.252 ( -0.229 0.000 3.015) 3.024 2.259 ( 0.242 0.000 3.224) 3.233 2.350 ( -0.935 0.000 -3.550) 3.671 2.350 ( -0.734 0.000 -1.106) 1.328 2.440 ( 0.013 0.000 1.963) 1.963 2.449 ( -0.057 0.000 1.337) 1.339 2.647 ( 0.682 0.000 7.518) 7.549 2.722 ( -0.476 0.000 -2.988) 3.025 2.816 ( -0.443 0.000 2.481) 2.520 2.851 ( -0.284 0.000 -2.259) 2.277 2.975 ( 1.350 0.000 0.423) 1.414 2.978 ( 1.188 0.000 2.470) 2.741 3.095 ( -0.530 0.000 4.230) 4.263 3.134 ( 0.434 0.000 4.491) 4.512 3.155 ( 1.082 0.000 -1.671) 1.991 3.174 ( 0.250 0.000 -1.636) 1.655 3.176 ( -1.016 0.000 -1.774) 2.044 3.218 ( 0.008 0.000 -3.091) 3.091 3.369 ( -0.305 0.000 2.892) 2.908 3.418 ( 0.547 0.000 -3.075) 3.124 3.631 ( -0.005 0.000 8.889) 8.889 3.667 ( 0.532 0.000 0.726) 0.900 3.673 ( -0.262 0.000 13.540) 13.542 3.759 ( -0.048 0.000 7.196) 7.196 3.786 ( 0.279 0.000 -3.525) 3.536 3.836 ( -0.369 0.000 7.942) 7.951 3.930 ( -0.026 0.000 -2.082) 2.082 4.016 ( -0.755 0.000 -0.433) 0.870 4.063 ( 0.118 0.000 -7.408) 7.409 4.109 ( 1.689 0.000 -16.016) 16.104 4.194 ( -0.363 0.000 1.019) 1.082 4.228 ( -0.185 0.000 -5.993) 5.996 4.365 ( 0.612 0.000 7.999) 8.023 4.426 ( 1.377 0.000 5.855) 6.015 4.446 ( 0.911 0.000 -2.655) 2.807 4.657 ( -0.153 0.000 -2.170) 2.176 4.670 ( -0.839 0.000 1.330) 1.573 4.736 ( -0.677 0.000 -12.516) 12.534 5.036 ( -0.289 0.000 9.399) 9.403 5.242 ( 0.349 0.000 -10.673) 10.679 7.041 ( -0.034 0.000 8.951) 8.951 7.146 ( -0.108 0.000 8.944) 8.945 7.238 ( 0.129 0.000 -9.469) 9.470 7.330 ( 0.320 0.000 -8.691) 8.697 8.176 ( -0.131 0.000 2.425) 2.428 8.230 ( 0.096 0.000 -3.223) 3.225 8.309 ( 0.118 0.000 1.271) 1.276 8.341 ( 0.368 0.000 -1.865) 1.901 8.552 ( 0.172 0.000 0.870) 0.887 8.574 ( 0.259 0.000 -1.262) 1.288 8.883 ( -0.109 0.000 0.601) 0.611 8.900 ( 0.035 0.000 -0.945) 0.946 8.984 ( 2.226 0.000 3.062) 3.785 9.071 ( 1.651 0.000 -3.369) 3.752 9.164 ( -1.921 0.000 0.602) 2.014 9.210 ( -1.587 0.000 -4.420) 4.696 9.342 ( -0.197 0.000 1.985) 1.995 9.400 ( -0.363 0.000 -3.366) 3.386 9.634 ( 0.536 0.000 0.029) 0.537 9.664 ( 0.115 0.000 1.854) 1.857 9.756 ( -0.125 0.000 0.426) 0.444 9.816 ( -0.164 0.000 -2.036) 2.043 9.833 ( -1.032 0.000 1.249) 1.620 9.852 ( -1.201 0.000 -2.158) 2.470 9.991 ( 0.359 0.000 1.714) 1.751 10.057 ( -0.056 0.000 -2.412) 2.413 10.362 ( -0.032 0.000 2.837) 2.837 10.381 ( -0.182 0.000 0.365) 0.408 10.444 ( 0.134 0.000 0.540) 0.556 10.463 ( -1.136 0.000 -0.353) 1.189 10.567 ( 0.210 0.000 4.059) 4.065 10.586 ( -0.144 0.000 2.451) 2.455 10.609 ( 0.435 0.000 2.126) 2.170 10.719 ( -1.209 0.000 -4.189) 4.360 10.919 ( 2.665 0.000 -1.299) 2.965 10.939 ( 5.147 0.000 2.450) 5.700 11.049 ( -0.100 0.000 4.683) 4.684 11.143 ( 0.024 0.000 -3.090) 3.090 11.292 ( 0.116 0.000 0.988) 0.995 11.321 ( -0.625 0.000 2.820) 2.888 11.471 ( 2.063 0.000 1.945) 2.836 11.515 ( 1.436 0.000 -2.257) 2.675 11.605 ( -2.673 0.000 1.904) 3.282 11.712 ( -3.956 0.000 -6.188) 7.344 11.975 ( 0.123 0.000 0.039) 0.129 12.007 ( -0.007 0.000 -1.544) 1.544 12.276 ( -0.777 0.000 -0.025) 0.777 12.292 ( -0.370 0.000 -0.715) 0.805 ======================= Grid point 80 (45/54) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -0.839 -2.597 8.635) 9.056 1.049 ( -1.397 -3.179 3.922) 5.238 1.065 ( 0.742 -1.490 -1.508) 2.246 1.101 ( 1.966 -0.904 1.422) 2.589 1.150 ( -0.001 -0.621 0.356) 0.716 1.174 ( -1.833 -1.246 -1.708) 2.798 1.279 ( -3.842 2.698 6.179) 7.760 1.330 ( -0.071 0.796 1.499) 1.699 1.346 ( 0.257 1.943 1.055) 2.226 1.385 ( 3.769 -3.124 2.084) 5.320 1.442 ( 0.728 -1.161 -2.995) 3.294 1.451 ( -2.027 -3.520 3.024) 5.064 1.510 ( 3.908 -1.816 -1.571) 4.587 1.591 ( -1.964 -3.696 -4.830) 6.391 1.755 ( 1.333 3.217 8.227) 8.933 1.797 ( 0.145 0.231 3.228) 3.240 1.893 ( -1.062 3.460 -0.450) 3.648 1.980 ( -0.531 1.944 -7.808) 8.064 2.007 ( 0.300 4.075 1.992) 4.545 2.075 ( -0.040 -2.816 -5.240) 5.949 2.232 ( 0.271 -2.112 3.576) 4.162 2.282 ( -0.207 -4.793 0.981) 4.896 2.310 ( 0.502 -1.718 0.931) 2.018 2.341 ( -0.241 -3.656 -0.193) 3.669 2.482 ( -0.028 5.765 1.294) 5.909 2.500 ( -0.242 6.314 -0.787) 6.368 2.685 ( 0.082 1.571 5.410) 5.635 2.732 ( -0.043 -0.027 -1.182) 1.184 2.781 ( 0.180 -2.798 0.478) 2.844 2.807 ( 0.206 -1.543 -0.538) 1.647 2.973 ( -0.000 -0.904 1.399) 1.665 3.005 ( -0.216 -2.918 -1.243) 3.179 3.049 ( -0.146 -3.296 3.976) 5.167 3.111 ( -0.874 -2.450 -1.393) 2.951 3.130 ( 0.239 3.231 2.410) 4.038 3.170 ( 0.373 1.716 -1.543) 2.337 3.211 ( -0.600 1.619 0.508) 1.800 3.242 ( 0.385 1.111 -1.634) 2.013 3.450 ( -0.205 6.115 3.304) 6.954 3.499 ( 0.063 5.107 -0.759) 5.163 3.632 ( -0.058 0.247 5.425) 5.431 3.656 ( -0.002 -1.402 1.440) 2.010 3.692 ( 0.131 1.222 12.319) 12.380 3.748 ( -0.321 -0.687 6.851) 6.893 3.780 ( -0.054 -0.786 2.056) 2.202 3.806 ( -0.866 -0.896 6.356) 6.477 3.916 ( 0.510 -2.665 0.584) 2.775 3.980 ( -1.044 -2.268 -2.224) 3.344 4.055 ( -0.157 -1.321 -1.689) 2.150 4.096 ( 0.035 -3.861 -0.924) 3.970 4.121 ( 0.553 -0.193 -16.316) 16.326 4.167 ( 0.519 -4.630 -9.065) 10.192 4.443 ( -1.069 1.652 3.533) 4.044 4.457 ( 0.470 0.325 1.955) 2.037 4.500 ( 0.350 5.905 1.993) 6.242 4.609 ( -0.016 -2.534 -2.709) 3.709 4.677 ( 0.515 1.133 0.704) 1.430 4.755 ( -0.049 0.701 -5.158) 5.206 5.066 ( -0.295 3.529 3.298) 4.839 5.222 ( 0.364 -2.551 -9.566) 9.907 7.061 ( -0.001 1.614 8.997) 9.141 7.132 ( -0.084 -1.334 8.961) 9.060 7.257 ( 0.077 1.784 -9.405) 9.573 7.322 ( 0.175 -0.995 -8.927) 8.984 8.162 ( -0.101 -0.490 1.443) 1.527 8.203 ( 0.150 -2.163 -2.507) 3.314 8.353 ( -0.078 3.903 1.924) 4.352 8.396 ( -0.003 3.853 -2.057) 4.368 8.525 ( -0.064 -2.660 1.095) 2.878 8.551 ( -0.078 -2.357 -1.347) 2.716 8.896 ( -0.018 1.216 0.639) 1.374 8.911 ( -0.068 0.823 -0.658) 1.056 9.039 ( 1.352 0.689 1.507) 2.138 9.087 ( -0.336 -0.451 -1.969) 2.048 9.107 ( -0.594 -1.267 -0.160) 1.408 9.164 ( -0.018 -2.293 -4.254) 4.833 9.356 ( -0.046 1.582 1.443) 2.141 9.395 ( -0.068 0.240 -2.196) 2.210 9.615 ( -1.019 -1.864 0.809) 2.274 9.636 ( 0.749 -2.189 -0.695) 2.416 9.777 ( -0.153 0.473 0.513) 0.714 9.793 ( 0.960 -0.014 -0.876) 1.300 9.860 ( 0.469 2.943 0.443) 3.013 9.890 ( -0.558 3.232 -2.307) 4.010 9.979 ( 0.664 -1.930 1.353) 2.449 10.026 ( -0.219 -2.583 -2.627) 3.691 10.362 ( -0.280 0.281 2.752) 2.781 10.383 ( -0.269 -0.147 1.120) 1.161 10.458 ( 0.583 2.644 2.413) 3.627 10.495 ( -0.606 2.663 -0.634) 2.804 10.557 ( -0.987 -0.636 3.671) 3.854 10.583 ( 1.331 -0.925 2.612) 3.074 10.628 ( -0.002 0.976 -0.017) 0.976 10.694 ( 0.037 -1.111 -3.348) 3.528 10.935 ( 0.152 -1.406 1.709) 2.219 10.960 ( -0.629 -1.468 -0.712) 1.749 11.067 ( -0.143 2.038 4.294) 4.755 11.150 ( -0.212 0.701 -2.691) 2.789 11.258 ( 1.470 -3.890 0.918) 4.259 11.284 ( -0.528 -3.788 -0.958) 3.943 11.534 ( 2.176 1.526 2.077) 3.373 11.558 ( 0.069 0.648 -0.182) 0.677 11.600 ( 0.136 3.106 0.236) 3.118 11.646 ( -2.998 1.484 -3.509) 4.848 11.986 ( 0.209 0.540 0.001) 0.579 11.998 ( -0.650 -0.015 -1.122) 1.297 12.266 ( 0.382 -0.495 0.244) 0.671 12.276 ( -0.302 -0.782 -0.850) 1.194 ======================= Grid point 81 (46/54) ======================= q-point: ( 0.20 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -1.072 -2.888 7.711) 8.304 1.005 ( -2.485 -3.135 3.029) 5.018 1.084 ( -0.054 -0.477 -0.533) 0.717 1.122 ( -1.227 0.779 1.516) 2.100 1.144 ( 1.521 -0.584 0.532) 1.714 1.163 ( 1.194 -1.296 1.278) 2.177 1.224 ( -1.330 1.552 2.260) 3.047 1.300 ( -2.178 -0.497 1.537) 2.711 1.347 ( -2.039 -0.581 -1.244) 2.458 1.389 ( -1.045 0.324 1.023) 1.498 1.433 ( -0.126 -6.764 -0.143) 6.766 1.470 ( 0.861 -2.547 -0.095) 2.690 1.595 ( 4.790 0.705 -3.233) 5.822 1.630 ( 5.048 -3.697 2.873) 6.885 1.760 ( -1.655 4.698 3.147) 5.892 1.803 ( 0.961 1.321 4.225) 4.530 1.903 ( 1.666 3.871 0.465) 4.240 1.974 ( 0.320 -1.793 -5.360) 5.661 2.004 ( -0.559 6.377 0.862) 6.459 2.074 ( -0.025 -3.212 -5.760) 6.595 2.238 ( 0.106 -2.418 4.327) 4.958 2.279 ( -0.243 -4.893 0.791) 4.962 2.309 ( -0.544 -2.530 0.617) 2.661 2.327 ( -0.989 -3.514 -0.568) 3.695 2.484 ( 0.227 6.714 0.773) 6.762 2.504 ( 0.678 6.499 -0.024) 6.535 2.682 ( -0.553 1.391 4.617) 4.854 2.739 ( 0.773 -1.102 -0.510) 1.439 2.788 ( 0.378 -1.187 -0.345) 1.292 2.808 ( -0.023 -1.829 -0.461) 1.886 2.968 ( -0.531 -1.595 1.535) 2.276 3.003 ( -0.045 -1.422 -1.113) 1.807 3.033 ( -1.116 -2.930 4.491) 5.477 3.097 ( -0.752 -2.082 -0.388) 2.247 3.140 ( 0.343 1.254 1.667) 2.114 3.173 ( -0.036 2.394 -1.051) 2.615 3.212 ( 0.695 1.611 0.253) 1.773 3.250 ( 0.487 1.881 -1.203) 2.286 3.442 ( -0.582 5.722 2.820) 6.405 3.494 ( -0.518 4.906 -0.196) 4.937 3.627 ( -0.616 0.223 4.559) 4.605 3.652 ( -0.441 -1.282 2.397) 2.754 3.698 ( -0.040 0.783 12.080) 12.105 3.745 ( -0.286 -0.910 5.945) 6.021 3.772 ( -0.710 -0.509 7.048) 7.102 3.799 ( -0.097 -0.354 2.052) 2.085 3.919 ( -0.174 -3.195 0.677) 3.270 3.974 ( 0.441 -2.167 -1.888) 2.908 4.047 ( -0.451 -1.181 -3.306) 3.540 4.091 ( -0.130 -5.123 -1.939) 5.479 4.121 ( -0.149 -0.037 -11.981) 11.982 4.175 ( 0.553 -4.218 -10.261) 11.108 4.420 ( -1.217 1.437 1.414) 2.355 4.443 ( -1.665 -0.032 2.222) 2.776 4.498 ( -0.449 6.722 5.251) 8.541 4.623 ( 1.183 -2.032 -4.136) 4.758 4.695 ( 1.123 0.727 0.276) 1.366 4.762 ( 0.823 0.873 -4.853) 4.999 5.059 ( -0.429 3.572 3.498) 5.018 5.223 ( 0.087 -2.750 -9.531) 9.920 7.062 ( -0.235 1.614 8.982) 9.129 7.132 ( -0.236 -1.303 8.799) 8.898 7.256 ( 0.181 1.780 -9.405) 9.574 7.322 ( 0.078 -1.007 -8.933) 8.990 8.161 ( -0.023 -0.439 1.418) 1.485 8.205 ( 0.100 -2.206 -2.508) 3.342 8.350 ( -0.260 3.907 1.915) 4.359 8.391 ( -0.316 3.674 -1.942) 4.168 8.523 ( -0.220 -2.556 1.142) 2.808 8.547 ( -0.263 -2.380 -1.224) 2.689 8.897 ( 0.075 1.146 0.560) 1.277 8.909 ( -0.072 0.780 -0.492) 0.925 9.030 ( -1.740 0.985 1.144) 2.304 9.071 ( -1.232 0.723 -3.858) 4.114 9.115 ( 1.203 -2.653 1.349) 3.210 9.173 ( 0.772 -3.229 -3.893) 5.117 9.364 ( 0.754 2.104 1.469) 2.674 9.403 ( 0.781 0.821 -2.057) 2.348 9.603 ( -0.048 -0.915 1.044) 1.389 9.662 ( 1.600 -2.802 -0.466) 3.260 9.756 ( -1.383 1.026 -0.151) 1.729 9.808 ( 0.146 -0.353 -1.383) 1.435 9.869 ( 0.367 2.980 0.379) 3.026 9.893 ( 0.822 1.859 -2.179) 2.980 9.990 ( 0.402 -1.476 1.078) 1.872 10.024 ( 0.202 -2.447 -3.022) 3.894 10.359 ( -0.141 0.382 3.087) 3.114 10.383 ( 0.179 -0.266 1.378) 1.414 10.473 ( 0.591 2.895 2.431) 3.826 10.489 ( 0.036 2.602 -0.719) 2.700 10.541 ( -0.452 -0.790 2.574) 2.730 10.613 ( 1.654 0.392 4.631) 4.933 10.625 ( -0.306 -0.102 -1.242) 1.283 10.699 ( 0.478 -1.275 -2.424) 2.780 10.875 ( -5.239 0.687 2.218) 5.731 10.936 ( -1.952 -1.867 -0.146) 2.705 11.068 ( 0.021 1.892 4.838) 5.194 11.149 ( 0.134 0.892 -2.783) 2.925 11.259 ( -0.215 -2.626 -0.389) 2.663 11.291 ( -0.067 -6.615 -0.357) 6.625 11.526 ( -1.675 1.922 -0.963) 2.725 11.554 ( -1.505 2.323 -0.632) 2.839 11.617 ( 2.047 1.758 1.915) 3.309 11.661 ( 3.494 0.658 -1.661) 3.924 11.986 ( -0.312 0.168 -0.150) 0.385 11.989 ( -0.059 0.226 -0.382) 0.448 12.278 ( 0.473 -0.500 -0.764) 1.029 12.281 ( 1.027 -0.569 -0.189) 1.190 ======================= Grid point 82 (47/54) ======================= q-point: ( 0.40 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.494 -3.383 5.458) 6.440 0.974 ( -0.689 -4.078 -0.706) 4.196 1.061 ( -0.892 1.437 4.338) 4.656 1.123 ( -0.298 0.438 -0.845) 0.998 1.164 ( 0.979 -0.616 2.007) 2.316 1.206 ( 2.679 -0.462 0.936) 2.875 1.216 ( -0.085 0.429 1.038) 1.126 1.260 ( -1.734 -0.550 1.176) 2.167 1.308 ( -1.646 -2.429 -0.198) 2.941 1.355 ( -1.982 -2.280 -2.938) 4.214 1.440 ( 0.017 -1.927 3.966) 4.409 1.489 ( 1.896 -3.671 -2.933) 5.067 1.661 ( 1.099 1.587 2.373) 3.059 1.687 ( 0.283 -0.755 1.183) 1.431 1.769 ( 2.949 2.092 1.781) 4.031 1.804 ( -0.940 3.120 2.961) 4.403 1.929 ( 0.561 2.417 2.045) 3.216 1.972 ( -1.267 4.006 2.226) 4.755 2.001 ( 1.033 3.016 -5.411) 6.280 2.074 ( 0.436 -4.646 -7.361) 8.716 2.235 ( -0.655 -2.127 5.085) 5.550 2.271 ( -0.627 -6.975 2.651) 7.488 2.300 ( -0.178 -2.315 -0.778) 2.449 2.312 ( -0.335 -5.228 -0.678) 5.283 2.491 ( 0.430 6.841 0.842) 6.906 2.517 ( 0.451 6.650 -0.487) 6.683 2.673 ( -0.424 2.031 5.869) 6.224 2.754 ( 0.691 -0.996 -0.893) 1.506 2.791 ( -0.061 -1.308 -0.929) 1.605 2.804 ( -0.391 -2.349 -0.438) 2.422 2.960 ( -0.258 0.102 1.773) 1.795 3.003 ( 0.206 -0.494 -1.962) 2.034 3.024 ( -0.064 -3.740 4.955) 6.209 3.087 ( 0.027 -2.215 -1.205) 2.522 3.140 ( -0.269 1.762 2.035) 2.706 3.166 ( -0.480 2.894 -0.556) 2.986 3.231 ( 0.912 1.035 0.402) 1.437 3.258 ( 0.261 2.400 -1.080) 2.645 3.435 ( -0.198 5.250 2.642) 5.880 3.485 ( -0.302 4.854 -0.478) 4.886 3.618 ( -0.311 -0.041 4.241) 4.253 3.644 ( -0.373 -1.183 2.009) 2.361 3.699 ( -0.369 0.590 12.372) 12.392 3.738 ( -0.498 -0.950 9.048) 9.112 3.770 ( 0.205 -0.847 3.712) 3.813 3.802 ( 0.349 -0.334 2.282) 2.332 3.912 ( -0.561 -3.709 1.003) 3.883 3.986 ( 0.728 -1.985 -1.996) 2.907 4.042 ( 0.225 -1.432 -4.236) 4.477 4.094 ( 0.384 -3.425 -6.364) 7.238 4.109 ( -0.501 -1.645 -6.685) 6.903 4.177 ( 0.037 -4.162 -10.625) 11.411 4.405 ( -0.567 1.108 0.669) 1.413 4.415 ( -0.751 0.447 1.213) 1.495 4.491 ( -0.516 6.683 7.396) 9.982 4.639 ( 0.522 -1.972 -4.018) 4.506 4.709 ( 0.214 1.318 0.545) 1.443 4.775 ( 0.573 0.978 -4.756) 4.889 5.056 ( -0.000 3.243 3.604) 4.848 5.219 ( -0.078 -2.859 -9.531) 9.951 7.059 ( -0.366 1.585 9.029) 9.174 7.130 ( -0.286 -1.380 8.623) 8.738 7.257 ( 0.267 1.787 -9.300) 9.474 7.320 ( 0.091 -0.910 -8.826) 8.873 8.162 ( 0.061 -0.463 1.423) 1.497 8.204 ( -0.029 -2.175 -2.489) 3.306 8.347 ( -0.120 3.831 1.795) 4.232 8.385 ( -0.159 3.595 -1.844) 4.043 8.520 ( -0.079 -2.486 1.039) 2.695 8.543 ( -0.047 -2.351 -1.214) 2.646 8.898 ( 0.050 1.125 0.417) 1.201 8.908 ( 0.004 0.737 -0.434) 0.855 8.998 ( -1.419 1.942 1.777) 2.990 9.052 ( -0.366 1.227 -4.032) 4.231 9.133 ( 0.459 -4.047 1.101) 4.219 9.183 ( 0.456 -4.128 -3.844) 5.659 9.378 ( 0.445 2.570 1.494) 3.006 9.417 ( 0.599 1.200 -2.114) 2.503 9.615 ( 1.126 0.014 1.478) 1.858 9.673 ( -0.856 -0.560 -1.054) 1.469 9.748 ( 0.802 -1.003 0.460) 1.364 9.798 ( -1.019 -1.273 -1.888) 2.494 9.872 ( -0.176 2.406 0.832) 2.552 9.908 ( 0.695 0.862 -2.573) 2.801 9.990 ( -0.516 -0.665 1.199) 1.465 10.031 ( 0.532 -1.904 -3.121) 3.695 10.359 ( 0.035 0.516 3.279) 3.319 10.389 ( 0.353 -0.241 0.802) 0.908 10.472 ( -0.607 2.787 1.834) 3.391 10.495 ( 0.613 2.226 -1.088) 2.552 10.550 ( 0.997 -0.280 3.007) 3.180 10.608 ( -1.166 0.821 -0.531) 1.521 10.643 ( 0.408 0.042 5.170) 5.186 10.709 ( 0.843 -1.675 0.314) 1.901 10.797 ( -1.941 1.497 2.832) 3.746 10.891 ( -2.415 -2.333 -1.744) 3.784 11.068 ( -0.149 1.859 4.745) 5.099 11.152 ( 0.332 1.220 -2.914) 3.176 11.264 ( 0.444 -3.008 0.034) 3.041 11.274 ( -1.036 -6.193 -0.122) 6.281 11.503 ( -0.772 2.598 0.144) 2.714 11.525 ( -1.013 3.162 -1.037) 3.479 11.654 ( 1.212 0.907 2.767) 3.154 11.719 ( 2.388 -1.210 -3.984) 4.800 11.983 ( -0.067 0.226 0.170) 0.290 11.991 ( 0.352 0.116 -0.982) 1.050 12.288 ( 0.512 -0.187 -0.575) 0.793 12.295 ( 0.369 -0.415 -0.792) 0.967 ======================= Grid point 83 (48/54) ======================= q-point: (-0.40 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.974 -3.962 3.764) 5.551 0.985 ( 1.785 -3.736 -0.692) 4.198 1.065 ( 1.025 0.876 5.324) 5.492 1.107 ( -1.165 0.543 -0.284) 1.317 1.174 ( -0.523 0.134 2.152) 2.218 1.202 ( -0.835 -0.038 0.126) 0.845 1.237 ( 0.604 -1.888 0.216) 1.994 1.258 ( 0.942 -0.997 0.856) 1.617 1.289 ( 0.227 -2.214 0.593) 2.303 1.349 ( 1.849 -1.617 -2.691) 3.644 1.429 ( -0.661 1.127 2.918) 3.197 1.528 ( 1.313 -5.646 -3.586) 6.816 1.615 ( -5.717 2.423 4.740) 7.812 1.686 ( -0.536 -0.443 1.063) 1.270 1.780 ( -0.794 1.715 1.797) 2.607 1.804 ( -0.999 2.048 4.089) 4.681 1.929 ( -0.234 3.042 1.946) 3.619 1.943 ( -0.503 6.952 0.010) 6.970 2.027 ( 1.054 0.805 -4.227) 4.430 2.079 ( 0.182 -4.434 -7.277) 8.524 2.223 ( -0.422 -1.585 4.946) 5.211 2.269 ( 0.475 -6.700 3.336) 7.500 2.300 ( 0.043 -2.835 -0.747) 2.932 2.316 ( 0.686 -6.410 -0.381) 6.458 2.496 ( -0.119 6.314 1.138) 6.417 2.517 ( -0.376 6.482 -1.196) 6.603 2.672 ( 0.035 2.381 7.257) 7.638 2.755 ( -0.541 0.475 -2.350) 2.457 2.787 ( -0.258 -3.644 0.266) 3.663 2.798 ( -0.080 -2.065 -0.590) 2.149 2.960 ( 0.204 1.844 1.687) 2.507 3.007 ( 0.220 -1.615 -2.345) 2.856 3.028 ( 0.282 -4.586 3.431) 5.734 3.102 ( 1.379 -0.658 -1.116) 1.892 3.136 ( -0.082 2.079 2.104) 2.959 3.159 ( -0.324 2.269 -0.086) 2.294 3.239 ( -0.113 1.142 -0.015) 1.148 3.255 ( -0.559 1.959 -1.033) 2.284 3.438 ( 0.357 5.325 2.864) 6.057 3.484 ( 0.266 5.077 -1.086) 5.199 3.619 ( 0.233 -0.158 4.848) 4.856 3.642 ( 0.146 -1.334 1.323) 1.884 3.691 ( -0.717 0.834 12.509) 12.557 3.740 ( 0.320 -0.919 8.861) 8.915 3.774 ( 0.066 -0.903 2.050) 2.240 3.813 ( 0.586 -1.031 4.363) 4.521 3.903 ( -0.259 -3.391 0.914) 3.522 3.999 ( 0.702 -1.802 -2.235) 2.956 4.050 ( 0.437 -2.264 -3.420) 4.125 4.092 ( -0.094 1.393 -13.283) 13.356 4.107 ( 0.336 -5.094 -1.574) 5.342 4.172 ( -0.127 -4.479 -10.532) 11.445 4.400 ( 0.587 1.266 1.072) 1.760 4.425 ( 1.361 0.165 0.237) 1.391 4.484 ( -0.416 6.520 7.381) 9.857 4.638 ( -0.412 -2.214 -2.953) 3.713 4.702 ( -0.917 2.070 1.065) 2.501 4.776 ( -0.248 0.821 -4.919) 4.994 5.061 ( 0.307 2.993 3.459) 4.585 5.215 ( 0.107 -2.723 -9.582) 9.962 7.056 ( -0.214 1.561 9.060) 9.196 7.129 ( -0.152 -1.453 8.689) 8.811 7.259 ( 0.224 1.791 -9.249) 9.423 7.320 ( 0.204 -0.837 -8.754) 8.797 8.164 ( 0.021 -0.535 1.441) 1.537 8.203 ( -0.050 -2.113 -2.482) 3.260 8.347 ( 0.129 3.788 1.734) 4.168 8.386 ( 0.269 3.723 -1.873) 4.176 8.521 ( 0.127 -2.540 0.917) 2.703 8.545 ( 0.250 -2.319 -1.333) 2.686 8.898 ( -0.032 1.197 0.399) 1.262 8.909 ( 0.148 0.789 -0.597) 1.001 8.984 ( -0.007 2.233 2.399) 3.277 9.056 ( 0.845 1.158 -3.624) 3.897 9.134 ( -0.267 -4.260 0.791) 4.341 9.186 ( -0.075 -4.000 -3.958) 5.628 9.378 ( -0.490 2.428 1.471) 2.881 9.419 ( -0.328 0.871 -2.274) 2.457 9.635 ( -0.001 -0.001 0.874) 0.874 9.651 ( -0.236 0.249 -0.376) 0.509 9.760 ( -0.590 -0.892 0.093) 1.073 9.782 ( 0.236 -2.446 -1.214) 2.741 9.865 ( -0.528 2.130 1.161) 2.483 9.915 ( 0.119 1.446 -2.913) 3.255 9.976 ( -0.835 -0.596 1.767) 2.043 10.037 ( 0.089 -1.806 -2.734) 3.277 10.362 ( 0.165 0.572 3.122) 3.178 10.394 ( 0.095 -0.153 0.087) 0.200 10.459 ( -0.618 2.650 1.578) 3.146 10.512 ( 1.014 2.037 -1.827) 2.919 10.555 ( -0.738 -0.317 3.289) 3.385 10.588 ( -0.878 0.074 1.603) 1.829 10.632 ( -0.780 1.554 4.839) 5.142 10.723 ( -0.134 -1.515 -0.955) 1.796 10.823 ( 3.954 -0.466 4.167) 5.763 10.868 ( 0.689 -1.903 -2.347) 3.100 11.066 ( -0.172 1.934 4.519) 4.919 11.158 ( 0.283 1.488 -3.067) 3.421 11.244 ( -1.241 -4.872 0.728) 5.080 11.288 ( 1.084 -3.450 -0.201) 3.622 11.492 ( -0.362 3.344 1.098) 3.539 11.520 ( 0.421 1.975 -0.673) 2.128 11.657 ( -0.852 1.264 1.760) 2.328 11.740 ( -0.148 -1.769 -5.035) 5.338 11.982 ( -0.039 0.546 -0.173) 0.574 12.000 ( 0.502 -0.113 -1.332) 1.428 12.289 ( -0.672 -0.232 -0.573) 0.913 12.295 ( -0.202 -0.246 -0.809) 0.870 ======================= Grid point 84 (49/54) ======================= q-point: (-0.20 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.881 -3.572 5.341) 6.485 1.026 ( 2.257 -2.311 1.096) 3.412 1.077 ( -1.131 -1.120 0.090) 1.594 1.089 ( 0.086 -0.172 5.100) 5.103 1.155 ( -0.879 -0.382 0.215) 0.982 1.191 ( -0.190 -1.615 -0.904) 1.861 1.277 ( 2.121 -0.425 3.686) 4.274 1.285 ( 3.480 -0.052 0.278) 3.492 1.309 ( 1.602 -1.760 0.364) 2.408 1.397 ( 1.667 -1.285 -3.235) 3.859 1.434 ( 1.700 -0.048 -0.884) 1.916 1.477 ( -7.544 3.998 5.718) 10.276 1.518 ( -2.108 -5.183 -0.320) 5.605 1.655 ( -3.233 -3.792 -1.877) 5.325 1.758 ( -2.231 4.442 7.979) 9.401 1.781 ( 0.780 0.069 1.785) 1.950 1.920 ( -1.060 3.944 -0.153) 4.086 1.964 ( 1.931 6.801 -0.717) 7.106 2.020 ( -1.317 -0.932 -4.742) 5.009 2.078 ( -0.008 -2.981 -4.879) 5.717 2.225 ( 0.304 -1.429 3.771) 4.044 2.283 ( 0.460 -5.561 3.048) 6.359 2.299 ( 0.139 -2.300 -0.654) 2.395 2.333 ( 0.904 -5.561 0.088) 5.634 2.488 ( -0.596 5.920 1.261) 6.083 2.508 ( -0.451 6.082 -1.228) 6.221 2.678 ( 0.310 2.160 7.030) 7.361 2.740 ( -0.752 0.725 -2.211) 2.445 2.782 ( -0.239 -4.008 0.411) 4.037 2.801 ( 0.340 -1.789 -0.566) 1.907 2.967 ( 0.444 1.438 1.406) 2.060 3.009 ( -0.006 -2.612 -1.999) 3.289 3.038 ( 0.696 -5.158 2.826) 5.923 3.122 ( 0.481 2.103 0.386) 2.191 3.133 ( -0.690 0.272 1.686) 1.842 3.159 ( 0.619 1.626 -1.291) 2.167 3.229 ( -0.917 1.224 0.126) 1.535 3.242 ( -0.453 1.396 -1.463) 2.073 3.447 ( 0.356 5.790 3.316) 6.682 3.492 ( 0.560 5.275 -1.224) 5.444 3.627 ( 0.308 -0.120 5.300) 5.310 3.650 ( 0.517 -1.342 1.239) 1.898 3.687 ( -0.126 1.194 12.555) 12.612 3.748 ( 0.087 -0.797 8.148) 8.187 3.777 ( 0.208 -0.638 0.831) 1.069 3.818 ( -0.377 -1.548 6.124) 6.328 3.905 ( 0.416 -2.695 0.622) 2.797 4.001 ( -0.647 -2.183 -2.305) 3.240 4.054 ( 0.210 -2.304 -0.637) 2.400 4.090 ( 0.409 -0.148 -9.309) 9.319 4.115 ( 0.568 -2.689 -9.266) 9.665 4.166 ( -0.073 -4.715 -9.429) 10.542 4.428 ( 1.997 0.961 1.005) 2.434 4.449 ( 0.557 0.697 2.257) 2.427 4.485 ( 0.571 5.846 4.084) 7.154 4.623 ( -0.991 -2.549 -2.164) 3.487 4.682 ( -1.003 2.097 1.228) 2.629 4.765 ( -0.646 0.653 -5.130) 5.212 5.067 ( 0.104 3.200 3.294) 4.594 5.217 ( 0.392 -2.533 -9.594) 9.931 7.058 ( -0.007 1.580 9.043) 9.180 7.130 ( -0.043 -1.425 8.898) 9.012 7.259 ( 0.102 1.788 -9.309) 9.480 7.321 ( 0.260 -0.889 -8.817) 8.866 8.164 ( -0.089 -0.549 1.455) 1.558 8.202 ( 0.057 -2.108 -2.486) 3.260 8.351 ( 0.161 3.833 1.809) 4.241 8.392 ( 0.387 3.883 -2.008) 4.389 8.524 ( 0.142 -2.646 0.946) 2.814 8.550 ( 0.256 -2.317 -1.415) 2.727 8.897 ( -0.121 1.267 0.547) 1.386 8.911 ( 0.041 0.850 -0.730) 1.121 9.002 ( 1.755 1.744 2.476) 3.500 9.077 ( 1.279 0.556 -3.116) 3.414 9.124 ( -0.870 -3.226 0.547) 3.385 9.176 ( -0.763 -3.003 -4.226) 5.240 9.364 ( -0.796 1.856 1.433) 2.476 9.406 ( -0.784 0.305 -2.340) 2.486 9.622 ( -0.397 -0.960 -0.382) 1.107 9.650 ( -1.016 -1.614 0.405) 1.950 9.755 ( 0.939 0.501 0.116) 1.071 9.790 ( 0.212 -1.284 -0.226) 1.321 9.857 ( -0.195 2.566 0.812) 2.699 9.907 ( -0.852 2.881 -2.588) 3.965 9.969 ( 0.154 -1.708 1.767) 2.462 10.033 ( -0.351 -2.201 -2.395) 3.271 10.365 ( -0.052 0.503 2.718) 2.764 10.391 ( -0.425 -0.107 0.297) 0.529 10.453 ( -0.108 2.477 1.916) 3.134 10.511 ( -0.957 2.948 -0.742) 3.187 10.558 ( 1.152 -1.374 1.519) 2.350 10.572 ( -0.855 -0.340 4.257) 4.355 10.627 ( -0.061 1.399 2.142) 2.559 10.705 ( -1.100 -1.421 -2.924) 3.432 10.897 ( 3.055 -1.364 1.200) 3.555 10.924 ( 4.203 -1.839 0.497) 4.614 11.066 ( 0.016 2.084 4.218) 4.705 11.157 ( -0.266 1.199 -3.000) 3.242 11.233 ( 0.342 -3.890 0.956) 4.020 11.297 ( -0.266 -3.239 0.113) 3.252 11.498 ( 1.120 2.611 1.540) 3.232 11.536 ( 1.248 1.400 0.441) 1.927 11.629 ( -2.001 2.090 0.202) 2.900 11.709 ( -2.792 -0.638 -5.037) 5.794 11.983 ( 0.140 0.681 -0.303) 0.758 12.005 ( 0.028 -0.220 -1.385) 1.403 12.271 ( -0.874 -0.242 -0.098) 0.912 12.287 ( -0.619 -0.583 -0.786) 1.158 ======================= Grid point 85 (50/54) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -1.062 -3.640 5.614) 6.774 0.954 ( -1.062 3.640 5.614) 6.774 1.072 ( 1.257 -1.326 -2.014) 2.719 1.072 ( 1.257 1.326 -2.014) 2.719 1.152 ( -0.464 -0.768 -0.364) 0.968 1.152 ( -0.464 0.768 -0.364) 0.968 1.326 ( -1.042 -1.155 2.446) 2.899 1.326 ( -1.042 1.155 2.446) 2.899 1.371 ( 1.462 -2.375 2.547) 3.777 1.371 ( 1.462 2.375 2.547) 3.777 1.411 ( -1.498 -1.674 0.961) 2.443 1.411 ( -1.498 1.674 0.961) 2.443 1.523 ( 0.582 -3.361 -1.852) 3.881 1.523 ( 0.582 3.361 -1.852) 3.881 1.777 ( 1.588 -1.537 6.266) 6.644 1.777 ( 1.588 1.537 6.266) 6.644 1.949 ( -1.714 -3.036 -7.534) 8.301 1.949 ( -1.714 3.036 -7.534) 8.301 2.136 ( -0.558 -3.672 5.019) 6.244 2.136 ( -0.558 3.672 5.019) 6.244 2.207 ( 1.053 -6.851 -0.090) 6.932 2.207 ( 1.053 6.851 -0.090) 6.932 2.242 ( 0.349 -2.672 -1.445) 3.058 2.242 ( 0.349 2.672 -1.445) 3.058 2.578 ( 0.082 -1.076 0.607) 1.238 2.578 ( 0.082 1.076 0.607) 1.238 2.699 ( -0.345 -0.789 2.183) 2.347 2.699 ( -0.345 0.789 2.183) 2.347 2.776 ( 0.667 -2.087 0.571) 2.264 2.776 ( 0.667 2.087 0.571) 2.264 2.956 ( -0.340 -0.980 -0.315) 1.084 2.956 ( -0.340 0.980 -0.315) 1.084 3.053 ( -0.553 -2.537 -0.429) 2.632 3.053 ( -0.553 2.537 -0.429) 2.632 3.197 ( -0.462 -1.548 2.487) 2.965 3.197 ( -0.462 1.548 2.487) 2.965 3.235 ( 0.671 -1.621 -1.374) 2.229 3.235 ( 0.671 1.621 -1.374) 2.229 3.540 ( -0.194 -2.301 3.495) 4.189 3.540 ( -0.194 2.301 3.495) 4.189 3.636 ( 0.020 -0.781 0.673) 1.032 3.636 ( 0.020 0.781 0.673) 1.032 3.729 ( -0.183 -1.782 12.735) 12.860 3.729 ( -0.183 1.782 12.735) 12.860 3.785 ( -0.045 -1.250 3.209) 3.444 3.785 ( -0.045 1.250 3.209) 3.444 3.897 ( -0.447 -3.292 -1.067) 3.490 3.897 ( -0.447 3.292 -1.067) 3.490 4.050 ( -0.567 -1.132 -0.647) 1.422 4.050 ( -0.567 1.132 -0.647) 1.422 4.124 ( 0.855 -0.701 -14.626) 14.668 4.124 ( 0.855 0.701 -14.626) 14.668 4.458 ( -0.443 -0.340 2.881) 2.934 4.458 ( -0.443 0.340 2.881) 2.934 4.573 ( 0.690 -1.748 -2.066) 2.793 4.573 ( 0.690 1.748 -2.066) 2.793 4.726 ( -0.209 -3.092 1.743) 3.556 4.726 ( -0.209 3.092 1.743) 3.556 5.151 ( 0.112 -4.417 -5.485) 7.043 5.151 ( 0.112 4.417 -5.485) 7.043 7.099 ( -0.011 -1.981 9.097) 9.310 7.099 ( -0.011 1.981 9.097) 9.310 7.294 ( 0.100 -1.796 -9.238) 9.411 7.294 ( 0.100 1.796 -9.238) 9.411 8.168 ( 0.029 -1.143 -0.575) 1.280 8.168 ( 0.029 1.143 -0.575) 1.280 8.434 ( -0.069 -3.054 1.378) 3.351 8.434 ( -0.069 3.054 1.378) 3.351 8.494 ( -0.074 -2.501 -1.476) 2.905 8.494 ( -0.074 2.501 -1.476) 2.905 8.917 ( -0.100 -0.508 0.194) 0.553 8.917 ( -0.100 0.508 0.194) 0.553 9.060 ( 0.351 -1.449 1.278) 1.964 9.060 ( 0.351 1.449 1.278) 1.964 9.117 ( -0.185 -1.868 -3.798) 4.236 9.117 ( -0.185 1.868 -3.798) 4.236 9.388 ( 0.094 -1.221 -0.261) 1.252 9.388 ( 0.094 1.221 -0.261) 1.252 9.600 ( -0.243 -0.736 -0.544) 0.947 9.600 ( -0.243 0.736 -0.544) 0.947 9.791 ( 0.518 -0.471 -0.154) 0.717 9.791 ( 0.518 0.471 -0.154) 0.717 9.913 ( 0.256 -2.026 -0.117) 2.045 9.913 ( 0.256 2.026 -0.117) 2.045 9.971 ( -0.127 -2.435 -1.372) 2.797 9.971 ( -0.127 2.435 -1.372) 2.797 10.373 ( -0.351 -0.717 2.172) 2.314 10.373 ( -0.351 0.717 2.172) 2.314 10.518 ( 0.272 -2.384 3.676) 4.389 10.518 ( 0.272 2.384 3.676) 4.389 10.551 ( -0.139 -1.604 -0.697) 1.754 10.551 ( -0.139 1.604 -0.697) 1.754 10.661 ( 0.089 -2.025 -0.410) 2.068 10.661 ( 0.089 2.025 -0.410) 2.068 10.929 ( 0.213 -0.980 1.099) 1.488 10.929 ( 0.213 0.980 1.099) 1.488 11.128 ( 0.193 -3.513 1.534) 3.838 11.128 ( 0.193 3.513 1.534) 3.838 11.223 ( -0.432 -1.695 -1.725) 2.457 11.223 ( -0.432 1.695 -1.725) 2.457 11.559 ( 0.804 -0.731 1.476) 1.833 11.559 ( 0.804 0.731 1.476) 1.833 11.650 ( -0.919 -1.351 -2.247) 2.778 11.650 ( -0.919 1.351 -2.247) 2.778 11.996 ( -0.222 -0.303 -0.565) 0.678 11.996 ( -0.222 0.303 -0.565) 0.678 12.263 ( -0.032 -0.351 -0.274) 0.447 12.263 ( -0.032 0.351 -0.274) 0.447 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -2.223 -2.559 3.666) 4.992 0.920 ( -2.223 2.559 3.666) 4.993 1.114 ( 2.108 -1.959 -1.394) 3.198 1.114 ( 2.108 1.959 -1.394) 3.198 1.141 ( 0.029 -0.579 1.537) 1.643 1.141 ( 0.029 0.579 1.537) 1.643 1.279 ( -2.882 -2.891 2.863) 4.986 1.279 ( -2.882 2.891 2.863) 4.986 1.334 ( -2.896 -1.414 -1.194) 3.438 1.334 ( -2.896 1.414 -1.194) 3.438 1.425 ( 0.936 -2.052 0.885) 2.423 1.425 ( 0.936 2.052 0.885) 2.423 1.594 ( 5.455 -0.425 1.590) 5.698 1.594 ( 5.455 0.425 1.590) 5.698 1.814 ( 1.136 -0.195 5.164) 5.291 1.814 ( 1.136 0.195 5.164) 5.291 1.935 ( 0.817 -3.104 -6.191) 6.973 1.935 ( 0.817 3.104 -6.191) 6.973 2.120 ( -1.076 -3.958 4.117) 5.811 2.120 ( -1.076 3.958 4.117) 5.811 2.206 ( -1.272 -5.408 -1.280) 5.701 2.206 ( -1.272 5.408 -1.280) 5.701 2.243 ( -0.083 -2.594 -1.094) 2.817 2.243 ( -0.083 2.594 -1.094) 2.817 2.583 ( 0.421 -1.314 0.349) 1.424 2.583 ( 0.421 1.314 0.349) 1.424 2.697 ( 0.157 -0.806 2.639) 2.764 2.697 ( 0.157 0.806 2.639) 2.764 2.786 ( 0.307 -1.340 -0.104) 1.379 2.786 ( 0.307 1.340 -0.104) 1.379 2.954 ( 0.224 -1.585 0.573) 1.700 2.954 ( 0.224 1.585 0.573) 1.700 3.037 ( -0.993 -2.494 0.047) 2.685 3.037 ( -0.993 2.494 0.047) 2.685 3.197 ( 0.420 -1.987 2.112) 2.930 3.197 ( 0.420 1.987 2.112) 2.930 3.248 ( 0.573 -2.191 -1.361) 2.642 3.248 ( 0.573 2.191 -1.361) 2.642 3.530 ( -0.874 -2.671 3.674) 4.625 3.530 ( -0.874 2.671 3.674) 4.625 3.632 ( -0.373 -1.268 0.684) 1.488 3.632 ( -0.373 1.268 0.684) 1.488 3.726 ( -0.512 -1.468 12.513) 12.609 3.726 ( -0.512 1.468 12.513) 12.609 3.783 ( -0.280 -1.448 3.012) 3.353 3.783 ( -0.280 1.448 3.012) 3.353 3.893 ( 0.012 -2.918 -0.648) 2.989 3.893 ( 0.012 2.918 -0.648) 2.989 4.037 ( -0.603 -0.600 -1.874) 2.058 4.037 ( -0.603 0.600 -1.874) 2.058 4.133 ( 0.433 -0.823 -13.190) 13.223 4.133 ( 0.433 0.823 -13.190) 13.223 4.437 ( -1.484 -0.543 2.677) 3.109 4.437 ( -1.484 0.543 2.677) 3.109 4.587 ( 0.639 -2.372 -1.732) 3.006 4.587 ( 0.639 2.372 -1.732) 3.006 4.734 ( 0.945 -2.818 1.723) 3.435 4.734 ( 0.945 2.818 1.723) 3.435 5.147 ( -0.222 -4.643 -5.491) 7.195 5.147 ( -0.222 4.643 -5.491) 7.195 7.099 ( -0.249 -1.952 8.981) 9.195 7.099 ( -0.249 1.952 8.981) 9.195 7.293 ( 0.146 -1.798 -9.224) 9.399 7.293 ( 0.146 1.798 -9.224) 9.399 8.169 ( 0.042 -1.216 -0.602) 1.358 8.169 ( 0.042 1.216 -0.602) 1.358 8.429 ( -0.444 -2.712 1.317) 3.048 8.429 ( -0.444 2.712 1.317) 3.048 8.491 ( -0.122 -2.164 -1.228) 2.492 8.491 ( -0.122 2.164 -1.228) 2.492 8.915 ( -0.044 -0.407 0.252) 0.480 8.915 ( -0.044 0.407 0.252) 0.480 9.060 ( -0.368 -1.971 1.177) 2.325 9.060 ( -0.368 1.971 1.177) 2.325 9.109 ( -0.408 -2.583 -3.780) 4.596 9.109 ( -0.408 2.583 -3.780) 4.596 9.401 ( 1.066 -1.199 -0.351) 1.642 9.401 ( 1.066 1.199 -0.351) 1.642 9.609 ( 1.160 -1.843 -0.162) 2.184 9.609 ( 1.160 1.843 -0.162) 2.184 9.788 ( -0.765 -1.606 -0.901) 1.994 9.788 ( -0.765 1.606 -0.901) 1.994 9.913 ( -0.294 -0.917 -0.442) 1.060 9.913 ( -0.294 0.917 -0.442) 1.060 9.980 ( 0.955 -1.353 -1.338) 2.129 9.980 ( 0.955 1.353 -1.338) 2.129 10.371 ( 0.063 -0.752 2.662) 2.766 10.371 ( 0.063 0.752 2.662) 2.766 10.520 ( -0.163 -1.630 1.645) 2.322 10.520 ( -0.163 1.630 1.645) 2.322 10.560 ( 0.954 -3.900 1.122) 4.169 10.560 ( 0.954 3.900 1.122) 4.169 10.664 ( 0.188 -2.183 0.103) 2.193 10.664 ( 0.188 2.183 0.103) 2.193 10.898 ( -3.092 -1.703 0.464) 3.560 10.898 ( -3.092 1.703 0.464) 3.560 11.135 ( 0.259 -4.008 2.152) 4.557 11.135 ( 0.259 4.008 2.152) 4.557 11.212 ( -0.475 -0.902 -1.598) 1.895 11.212 ( -0.475 0.902 -1.598) 1.895 11.559 ( -0.662 -1.120 0.259) 1.326 11.559 ( -0.662 1.120 0.259) 1.326 11.657 ( 1.474 -1.358 -0.930) 2.210 11.657 ( 1.474 1.358 -0.930) 2.210 11.990 ( -0.243 -0.185 -0.334) 0.453 11.990 ( -0.243 0.185 -0.334) 0.453 12.273 ( 0.920 -0.113 -0.388) 1.004 12.273 ( 0.920 0.113 -0.388) 1.004 ======================= Grid point 89 (52/54) ======================= q-point: ( 0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -0.844 -2.095 0.676) 2.358 0.888 ( -0.844 2.095 0.676) 2.358 1.112 ( -0.697 -2.181 2.043) 3.069 1.112 ( -0.697 2.181 2.043) 3.069 1.178 ( 1.846 -2.023 2.015) 3.400 1.178 ( 1.846 2.023 2.015) 3.400 1.239 ( -1.212 -1.426 0.569) 1.956 1.239 ( -1.212 1.426 0.569) 1.956 1.291 ( -1.418 -1.713 -1.793) 2.857 1.291 ( -1.418 1.713 -1.793) 2.857 1.444 ( 1.123 -1.620 1.288) 2.355 1.444 ( 1.123 1.620 1.288) 2.355 1.674 ( 2.077 -0.529 0.834) 2.299 1.674 ( 2.077 0.529 0.834) 2.299 1.819 ( -0.425 -1.593 6.008) 6.230 1.819 ( -0.425 1.593 6.008) 6.230 1.966 ( 2.203 -3.216 -4.798) 6.182 1.966 ( 2.203 3.216 -4.798) 6.182 2.105 ( -0.553 -3.438 2.884) 4.521 2.105 ( -0.553 3.438 2.884) 4.521 2.170 ( -1.992 -5.247 -2.485) 6.138 2.170 ( -1.992 5.247 -2.485) 6.138 2.239 ( -0.282 -2.871 0.260) 2.897 2.239 ( -0.282 2.871 0.260) 2.897 2.591 ( 0.222 -1.264 0.490) 1.374 2.591 ( 0.222 1.264 0.490) 1.374 2.705 ( 0.364 -1.680 3.913) 4.274 2.705 ( 0.364 1.680 3.913) 4.274 2.784 ( -0.531 -0.859 -0.946) 1.384 2.784 ( -0.531 0.859 -0.946) 1.384 2.965 ( 0.748 -1.649 0.861) 2.005 2.965 ( 0.748 1.649 0.861) 2.005 3.022 ( -0.316 -2.866 -0.701) 2.968 3.022 ( -0.316 2.866 -0.701) 2.968 3.210 ( 0.605 -2.256 2.298) 3.277 3.210 ( 0.605 2.256 2.298) 3.277 3.252 ( -0.195 -2.663 -1.296) 2.968 3.252 ( -0.195 2.663 -1.296) 2.968 3.518 ( -0.371 -2.659 3.614) 4.502 3.518 ( -0.371 2.659 3.614) 4.502 3.626 ( -0.215 -1.318 0.259) 1.360 3.626 ( -0.215 1.318 0.259) 1.360 3.720 ( -0.528 -1.379 11.963) 12.054 3.720 ( -0.528 1.379 11.963) 12.054 3.779 ( -0.185 -1.816 3.808) 4.223 3.779 ( -0.185 1.816 3.808) 4.223 3.896 ( 0.352 -4.024 -1.384) 4.270 3.896 ( 0.352 4.024 -1.384) 4.270 4.033 ( 0.268 -0.828 -1.963) 2.147 4.033 ( 0.268 0.828 -1.963) 2.147 4.130 ( -0.158 -1.357 -12.729) 12.802 4.130 ( -0.158 1.357 -12.729) 12.802 4.416 ( -0.642 -0.193 2.154) 2.256 4.416 ( -0.642 0.193 2.154) 2.256 4.592 ( -0.079 -3.352 -0.529) 3.394 4.592 ( -0.079 3.352 -0.529) 3.394 4.752 ( 0.623 -2.572 1.585) 3.084 4.752 ( 0.623 2.572 1.585) 3.084 5.142 ( -0.110 -4.704 -5.582) 7.300 5.142 ( -0.110 4.704 -5.582) 7.300 7.096 ( -0.369 -1.969 8.885) 9.108 7.096 ( -0.369 1.969 8.885) 9.108 7.294 ( 0.217 -1.713 -9.088) 9.251 7.294 ( 0.217 1.713 -9.088) 9.251 8.169 ( 0.016 -1.186 -0.602) 1.330 8.169 ( 0.016 1.186 -0.602) 1.330 8.422 ( -0.220 -2.403 1.097) 2.651 8.422 ( -0.220 2.403 1.097) 2.651 8.490 ( 0.016 -1.908 -1.064) 2.184 8.490 ( 0.016 1.908 -1.064) 2.184 8.915 ( 0.030 -0.281 0.115) 0.305 8.915 ( 0.030 0.281 0.115) 0.305 9.050 ( -0.577 -3.119 1.219) 3.398 9.050 ( -0.577 3.119 1.219) 3.398 9.104 ( 0.064 -3.209 -3.677) 4.881 9.104 ( 0.064 3.209 -3.677) 4.881 9.418 ( 0.525 -1.183 -0.227) 1.314 9.418 ( 0.525 1.183 -0.227) 1.314 9.635 ( 1.321 -2.100 -0.136) 2.485 9.635 ( 1.321 2.100 -0.136) 2.485 9.766 ( -1.275 -1.804 -0.975) 2.414 9.766 ( -1.275 1.804 -0.975) 2.414 9.906 ( -0.294 -1.034 -0.208) 1.095 9.906 ( -0.294 1.034 -0.208) 1.095 9.996 ( 0.621 -1.312 -1.600) 2.161 9.996 ( 0.621 1.312 -1.600) 2.161 10.375 ( 0.209 -0.944 2.546) 2.723 10.375 ( 0.209 0.944 2.546) 2.723 10.517 ( -0.164 -1.106 0.344) 1.170 10.517 ( -0.164 1.106 0.344) 1.170 10.576 ( 0.403 -3.077 1.892) 3.634 10.576 ( 0.403 3.077 1.892) 3.634 10.671 ( 0.596 -2.024 2.594) 3.343 10.671 ( 0.596 2.024 2.594) 3.343 10.838 ( -2.545 -2.610 -0.455) 3.674 10.838 ( -2.545 2.610 -0.455) 3.674 11.136 ( -0.147 -4.573 2.779) 5.353 11.136 ( -0.147 4.573 2.779) 5.353 11.209 ( 0.226 -2.028 -2.070) 2.907 11.209 ( 0.226 2.028 -2.070) 2.907 11.546 ( -0.576 -1.130 0.402) 1.331 11.546 ( -0.576 1.130 0.402) 1.331 11.685 ( 1.142 -2.060 -1.104) 2.602 11.685 ( 1.142 2.060 -1.104) 2.602 11.989 ( 0.178 -0.291 -0.541) 0.640 11.989 ( 0.178 0.291 -0.541) 0.640 12.288 ( 0.558 -0.216 -0.687) 0.911 12.288 ( 0.558 0.216 -0.687) 0.911 ======================= Grid point 91 (53/54) ======================= q-point: (-0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 1.795 -2.693 -0.207) 3.243 0.898 ( 1.795 2.693 -0.207) 3.243 1.101 ( -0.685 -1.795 3.131) 3.673 1.101 ( -0.685 1.795 3.131) 3.673 1.190 ( -1.314 -1.329 2.869) 3.424 1.190 ( -1.314 1.329 2.869) 3.424 1.223 ( 0.709 -1.346 -0.776) 1.708 1.223 ( 0.709 1.346 -0.776) 1.708 1.300 ( 2.089 -2.310 -1.559) 3.483 1.300 ( 2.089 2.310 -1.559) 3.483 1.459 ( 0.136 -1.917 -0.019) 1.922 1.459 ( 0.136 1.917 -0.019) 1.922 1.660 ( -3.303 -1.786 2.011) 4.260 1.660 ( -3.303 1.786 2.011) 4.260 1.805 ( -1.395 -0.785 5.782) 5.999 1.805 ( -1.395 0.785 5.782) 5.999 1.994 ( 0.582 -3.075 -5.914) 6.691 1.994 ( 0.581 3.075 -5.914) 6.691 2.108 ( 0.787 -3.469 2.887) 4.582 2.108 ( 0.787 3.469 2.887) 4.582 2.151 ( 0.435 -5.796 -1.045) 5.906 2.151 ( 0.435 5.796 -1.045) 5.906 2.235 ( -0.120 -2.723 0.586) 2.788 2.235 ( -0.120 2.723 0.586) 2.788 2.590 ( -0.327 -0.876 0.721) 1.181 2.590 ( -0.327 0.876 0.721) 1.181 2.708 ( -0.215 -1.913 4.651) 5.034 2.708 ( -0.215 1.913 4.651) 5.034 2.772 ( -0.511 -1.089 -1.128) 1.649 2.772 ( -0.511 1.089 -1.128) 1.649 2.971 ( -0.163 -0.930 -0.187) 0.962 2.971 ( -0.163 0.930 -0.186) 0.962 3.033 ( 1.313 -3.969 -1.191) 4.347 3.033 ( 1.313 3.969 -1.191) 4.347 3.214 ( -0.317 -1.079 2.524) 2.763 3.214 ( -0.317 1.079 2.524) 2.763 3.243 ( -0.532 -1.492 -1.126) 1.944 3.243 ( -0.532 1.492 -1.126) 1.944 3.521 ( 0.508 -2.302 3.476) 4.200 3.521 ( 0.508 2.302 3.476) 4.200 3.625 ( 0.129 -0.786 0.002) 0.797 3.625 ( 0.129 0.786 0.002) 0.797 3.717 ( -0.125 -1.857 11.473) 11.623 3.717 ( -0.125 1.857 11.473) 11.623 3.780 ( 0.125 -1.847 4.769) 5.116 3.780 ( 0.125 1.847 4.769) 5.116 3.904 ( 0.432 -4.979 -2.268) 5.488 3.904 ( 0.432 4.979 -2.268) 5.488 4.042 ( 0.611 -1.395 -1.268) 1.982 4.042 ( 0.611 1.395 -1.268) 1.982 4.122 ( -0.118 -1.581 -13.393) 13.487 4.122 ( -0.118 1.581 -13.393) 13.487 4.419 ( 0.881 -0.717 1.840) 2.162 4.419 ( 0.881 0.717 1.840) 2.162 4.585 ( -0.601 -3.585 0.059) 3.635 4.585 ( -0.601 3.585 0.059) 3.635 4.754 ( -0.494 -2.591 1.593) 3.082 4.754 ( -0.494 2.591 1.593) 3.082 5.141 ( 0.299 -4.490 -5.633) 7.210 5.141 ( 0.299 4.490 -5.633) 7.210 7.094 ( -0.198 -2.010 8.943) 9.169 7.094 ( -0.198 2.010 8.943) 9.169 7.295 ( 0.220 -1.655 -9.025) 9.178 7.295 ( 0.220 1.655 -9.025) 9.178 8.169 ( -0.019 -1.090 -0.580) 1.235 8.169 ( -0.019 1.090 -0.580) 1.235 8.423 ( 0.263 -2.502 1.007) 2.709 8.423 ( 0.263 2.502 1.007) 2.709 8.491 ( 0.165 -2.031 -1.184) 2.356 8.491 ( 0.165 2.031 -1.184) 2.356 8.917 ( 0.134 -0.317 -0.038) 0.346 8.917 ( 0.134 0.317 -0.038) 0.346 9.043 ( -0.111 -3.551 1.414) 3.824 9.043 ( -0.111 3.551 1.414) 3.824 9.109 ( 0.485 -3.180 -3.654) 4.868 9.109 ( 0.485 3.180 -3.654) 4.868 9.417 ( -0.654 -1.208 -0.083) 1.376 9.417 ( -0.654 1.208 -0.083) 1.376 9.643 ( -0.713 -0.769 -0.853) 1.352 9.643 ( -0.713 0.769 -0.853) 1.352 9.754 ( 0.333 -0.373 0.033) 0.500 9.754 ( 0.333 0.373 0.033) 0.500 9.903 ( -0.004 -1.763 0.131) 1.768 9.903 ( -0.004 1.763 0.131) 1.768 9.997 ( -0.450 -2.040 -1.638) 2.655 9.997 ( -0.450 2.040 -1.638) 2.655 10.380 ( 0.184 -1.005 1.958) 2.208 10.380 ( 0.184 1.005 1.958) 2.208 10.513 ( -0.219 -1.876 0.926) 2.103 10.513 ( -0.219 1.876 0.926) 2.103 10.573 ( -0.623 -1.564 1.637) 2.348 10.573 ( -0.623 1.564 1.637) 2.348 10.678 ( -0.395 -2.768 2.589) 3.810 10.678 ( -0.395 2.768 2.589) 3.810 10.830 ( 1.945 -1.407 0.140) 2.404 10.830 ( 1.945 1.407 0.140) 2.404 11.133 ( -0.280 -4.429 2.488) 5.088 11.133 ( -0.280 4.429 2.488) 5.088 11.218 ( 0.651 -3.056 -2.284) 3.871 11.218 ( 0.651 3.056 -2.284) 3.871 11.539 ( -0.217 -0.677 0.994) 1.222 11.539 ( -0.217 0.677 0.994) 1.222 11.694 ( -0.189 -2.437 -1.799) 3.034 11.694 ( -0.189 2.437 -1.799) 3.034 11.994 ( 0.247 -0.527 -0.925) 1.093 11.994 ( 0.247 0.527 -0.925) 1.093 12.289 ( -0.468 -0.249 -0.787) 0.948 12.289 ( -0.468 0.249 -0.787) 0.948 ======================= Grid point 93 (54/54) ======================= q-point: (-0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 2.105 -3.469 1.748) 4.419 0.941 ( 2.105 3.469 1.748) 4.419 1.080 ( -1.595 -0.750 2.710) 3.233 1.080 ( -1.595 0.750 2.710) 3.233 1.160 ( -0.815 -1.185 -0.870) 1.681 1.160 ( -0.815 1.185 -0.870) 1.681 1.275 ( 4.039 -0.646 2.847) 4.984 1.275 ( 4.039 0.646 2.847) 4.984 1.341 ( 1.846 -3.343 -1.245) 4.017 1.341 ( 1.846 3.343 -1.245) 4.017 1.448 ( -1.277 -1.552 -1.024) 2.256 1.448 ( -1.277 1.552 -1.024) 2.256 1.574 ( -4.963 -4.918 2.339) 7.368 1.574 ( -4.963 4.918 2.339) 7.368 1.776 ( -1.451 -0.464 5.869) 6.063 1.776 ( -1.451 0.464 5.869) 6.063 1.983 ( -1.291 -2.436 -7.675) 8.155 1.983 ( -1.291 2.436 -7.675) 8.155 2.130 ( 1.041 -4.705 4.187) 6.384 2.130 ( 1.041 4.705 4.187) 6.384 2.177 ( 1.857 -6.229 0.564) 6.524 2.177 ( 1.857 6.229 0.564) 6.524 2.235 ( 0.181 -2.658 -0.361) 2.688 2.235 ( 0.181 2.658 -0.361) 2.688 2.581 ( -0.453 -0.920 0.830) 1.319 2.581 ( -0.453 0.920 0.830) 1.319 2.704 ( -0.264 -1.551 3.284) 3.642 2.704 ( -0.264 1.551 3.284) 3.642 2.767 ( 0.101 -1.948 -0.172) 1.958 2.767 ( 0.101 1.948 -0.172) 1.958 2.964 ( -0.471 -0.838 -0.681) 1.178 2.964 ( -0.471 0.838 -0.681) 1.178 3.054 ( 0.606 -4.201 -0.999) 4.361 3.054 ( 0.606 4.201 -0.999) 4.361 3.206 ( -0.460 -0.378 2.323) 2.398 3.206 ( -0.460 0.378 2.323) 2.398 3.233 ( -0.407 -0.717 -0.941) 1.251 3.233 ( -0.407 0.717 -0.941) 1.251 3.534 ( 0.608 -2.116 3.453) 4.095 3.534 ( 0.608 2.116 3.453) 4.095 3.630 ( 0.405 -0.594 0.306) 0.781 3.630 ( 0.405 0.594 0.306) 0.781 3.723 ( 0.243 -2.194 11.855) 12.059 3.723 ( 0.243 2.194 11.855) 12.059 3.784 ( 0.037 -1.572 4.334) 4.611 3.784 ( 0.037 1.572 4.334) 4.611 3.906 ( -0.214 -4.718 -1.989) 5.124 3.906 ( -0.214 4.718 -1.989) 5.124 4.052 ( 0.401 -1.615 -0.221) 1.679 4.052 ( 0.401 1.615 -0.221) 1.679 4.118 ( 0.241 -1.372 -14.764) 14.829 4.118 ( 0.241 1.372 -14.764) 14.829 4.445 ( 1.472 -0.736 1.971) 2.568 4.445 ( 1.472 0.736 1.971) 2.568 4.573 ( -0.556 -2.970 -0.523) 3.067 4.573 ( -0.556 2.970 -0.523) 3.067 4.739 ( -1.015 -2.889 1.595) 3.452 4.739 ( -1.015 2.889 1.595) 3.452 5.147 ( 0.428 -4.325 -5.564) 7.060 5.147 ( 0.428 4.325 -5.564) 7.060 7.095 ( 0.006 -2.020 9.074) 9.296 7.095 ( 0.006 2.020 9.074) 9.296 7.295 ( 0.151 -1.707 -9.114) 9.274 7.295 ( 0.151 1.707 -9.114) 9.274 8.168 ( -0.015 -1.067 -0.560) 1.205 8.168 ( -0.015 1.067 -0.560) 1.205 8.430 ( 0.360 -2.897 1.169) 3.145 8.430 ( 0.360 2.897 1.169) 3.145 8.494 ( 0.131 -2.388 -1.437) 2.790 8.494 ( 0.131 2.388 -1.437) 2.790 8.918 ( -0.029 -0.463 0.019) 0.464 8.918 ( -0.029 0.463 0.019) 0.464 9.049 ( 0.586 -2.907 1.429) 3.292 9.049 ( 0.586 2.907 1.429) 3.292 9.116 ( 0.385 -2.486 -3.717) 4.488 9.116 ( 0.385 2.486 -3.717) 4.488 9.399 ( -1.012 -1.229 -0.105) 1.596 9.399 ( -1.012 1.229 -0.105) 1.596 9.618 ( -1.486 -0.923 -0.963) 1.997 9.618 ( -1.486 0.923 -0.963) 1.997 9.773 ( 1.228 -0.887 0.409) 1.569 9.773 ( 1.228 0.887 0.409) 1.569 9.907 ( 0.346 -2.309 0.240) 2.347 9.907 ( 0.346 2.309 0.240) 2.347 9.983 ( -0.865 -2.622 -1.531) 3.157 9.983 ( -0.865 2.622 -1.531) 3.157 10.380 ( -0.305 -0.820 1.633) 1.853 10.380 ( -0.305 0.820 1.633) 1.853 10.512 ( 0.111 -2.895 2.651) 3.927 10.512 ( 0.111 2.895 2.651) 3.927 10.560 ( -0.682 -1.565 0.555) 1.795 10.560 ( -0.682 1.565 0.555) 1.795 10.665 ( -0.592 -2.386 0.400) 2.491 10.665 ( -0.592 2.386 0.400) 2.491 10.890 ( 3.450 -0.892 1.290) 3.790 10.890 ( 3.450 0.892 1.290) 3.790 11.129 ( -0.221 -3.785 1.847) 4.217 11.129 ( -0.221 3.785 1.847) 4.217 11.226 ( 0.208 -3.125 -2.081) 3.760 11.226 ( 0.208 3.125 -2.081) 3.760 11.542 ( 0.582 -1.152 1.514) 1.990 11.542 ( 0.582 1.152 1.514) 1.990 11.677 ( -1.369 -2.465 -2.427) 3.720 11.677 ( -1.369 2.465 -2.427) 3.720 11.997 ( 0.100 -0.640 -0.937) 1.139 11.997 ( 0.100 0.640 -0.937) 1.139 12.274 ( -0.929 -0.536 -0.545) 1.203 12.274 ( -0.929 0.536 -0.545) 1.203 =================== 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 3/15120 10.0 4.304 5.847 8.704 0.000 -0.369 0.000 3/15120 20.0 1.251 1.861 3.096 0.000 -0.146 0.000 3/15120 30.0 0.728 1.207 1.969 0.000 -0.097 0.000 3/15120 40.0 0.515 0.964 1.561 0.000 -0.074 0.000 3/15120 50.0 0.401 0.836 1.358 0.000 -0.061 0.000 3/15120 60.0 0.329 0.751 1.227 0.000 -0.053 0.000 3/15120 70.0 0.281 0.685 1.127 0.000 -0.047 0.000 3/15120 80.0 0.246 0.630 1.043 0.000 -0.042 0.000 3/15120 90.0 0.219 0.583 0.970 0.000 -0.037 0.000 3/15120 100.0 0.199 0.543 0.906 0.000 -0.034 0.000 3/15120 110.0 0.183 0.508 0.850 0.000 -0.031 0.000 3/15120 120.0 0.170 0.477 0.799 0.000 -0.028 0.000 3/15120 130.0 0.159 0.450 0.754 0.000 -0.026 0.000 3/15120 140.0 0.149 0.426 0.713 0.000 -0.024 0.000 3/15120 150.0 0.141 0.404 0.676 0.000 -0.023 0.000 3/15120 160.0 0.134 0.384 0.643 0.000 -0.021 0.000 3/15120 170.0 0.127 0.366 0.613 0.000 -0.020 0.000 3/15120 180.0 0.121 0.350 0.585 0.000 -0.019 0.000 3/15120 190.0 0.116 0.335 0.560 0.000 -0.018 0.000 3/15120 200.0 0.111 0.321 0.536 0.000 -0.017 0.000 3/15120 210.0 0.107 0.308 0.515 0.000 -0.016 0.000 3/15120 220.0 0.103 0.297 0.495 0.000 -0.015 0.000 3/15120 230.0 0.099 0.286 0.476 0.000 -0.014 0.000 3/15120 240.0 0.096 0.275 0.459 0.000 -0.014 0.000 3/15120 250.0 0.092 0.266 0.443 0.000 -0.013 0.000 3/15120 260.0 0.089 0.257 0.428 0.000 -0.013 0.000 3/15120 270.0 0.086 0.249 0.414 0.000 -0.012 0.000 3/15120 280.0 0.084 0.241 0.400 0.000 -0.012 0.000 3/15120 290.0 0.081 0.233 0.388 0.000 -0.011 0.000 3/15120 300.0 0.079 0.226 0.376 0.000 -0.011 0.000 3/15120 310.0 0.077 0.220 0.365 0.000 -0.011 0.000 3/15120 320.0 0.075 0.214 0.355 0.000 -0.010 0.000 3/15120 330.0 0.073 0.208 0.345 0.000 -0.010 0.000 3/15120 340.0 0.071 0.202 0.336 0.000 -0.010 0.000 3/15120 350.0 0.069 0.197 0.327 0.000 -0.009 0.000 3/15120 360.0 0.067 0.192 0.318 0.000 -0.009 0.000 3/15120 370.0 0.065 0.187 0.310 0.000 -0.009 0.000 3/15120 380.0 0.064 0.183 0.303 0.000 -0.008 0.000 3/15120 390.0 0.062 0.178 0.295 0.000 -0.008 0.000 3/15120 400.0 0.061 0.174 0.288 0.000 -0.008 0.000 3/15120 410.0 0.060 0.170 0.282 0.000 -0.008 0.000 3/15120 420.0 0.058 0.167 0.276 0.000 -0.008 0.000 3/15120 430.0 0.057 0.163 0.269 0.000 -0.007 0.000 3/15120 440.0 0.056 0.159 0.264 0.000 -0.007 0.000 3/15120 450.0 0.055 0.156 0.258 0.000 -0.007 0.000 3/15120 460.0 0.054 0.153 0.253 0.000 -0.007 0.000 3/15120 470.0 0.053 0.150 0.248 0.000 -0.007 0.000 3/15120 480.0 0.052 0.147 0.243 0.000 -0.007 0.000 3/15120 490.0 0.051 0.144 0.238 0.000 -0.007 0.000 3/15120 500.0 0.050 0.141 0.233 0.000 -0.006 0.000 3/15120 510.0 0.049 0.139 0.229 0.000 -0.006 0.000 3/15120 520.0 0.048 0.136 0.225 0.000 -0.006 0.000 3/15120 530.0 0.047 0.134 0.221 0.000 -0.006 0.000 3/15120 540.0 0.046 0.131 0.217 0.000 -0.006 0.000 3/15120 550.0 0.045 0.129 0.213 0.000 -0.006 0.000 3/15120 560.0 0.045 0.127 0.209 0.000 -0.006 0.000 3/15120 570.0 0.044 0.125 0.206 0.000 -0.006 0.000 3/15120 580.0 0.043 0.123 0.202 0.000 -0.005 0.000 3/15120 590.0 0.042 0.121 0.199 0.000 -0.005 0.000 3/15120 600.0 0.042 0.119 0.196 0.000 -0.005 0.000 3/15120 610.0 0.041 0.117 0.193 0.000 -0.005 0.000 3/15120 620.0 0.040 0.115 0.190 0.000 -0.005 0.000 3/15120 630.0 0.040 0.113 0.187 0.000 -0.005 0.000 3/15120 640.0 0.039 0.112 0.184 0.000 -0.005 0.000 3/15120 650.0 0.039 0.110 0.181 0.000 -0.005 0.000 3/15120 660.0 0.038 0.108 0.179 0.000 -0.005 0.000 3/15120 670.0 0.038 0.107 0.176 0.000 -0.005 0.000 3/15120 680.0 0.037 0.105 0.174 0.000 -0.005 0.000 3/15120 690.0 0.037 0.104 0.171 0.000 -0.005 0.000 3/15120 700.0 0.036 0.102 0.169 0.000 -0.005 0.000 3/15120 710.0 0.036 0.101 0.166 0.000 -0.004 0.000 3/15120 720.0 0.035 0.100 0.164 0.000 -0.004 0.000 3/15120 730.0 0.035 0.098 0.162 0.000 -0.004 0.000 3/15120 740.0 0.034 0.097 0.160 0.000 -0.004 0.000 3/15120 750.0 0.034 0.096 0.158 0.000 -0.004 0.000 3/15120 760.0 0.033 0.095 0.156 0.000 -0.004 0.000 3/15120 770.0 0.033 0.093 0.154 0.000 -0.004 0.000 3/15120 780.0 0.032 0.092 0.152 0.000 -0.004 0.000 3/15120 790.0 0.032 0.091 0.150 0.000 -0.004 0.000 3/15120 800.0 0.032 0.090 0.148 0.000 -0.004 0.000 3/15120 810.0 0.031 0.089 0.146 0.000 -0.004 0.000 3/15120 820.0 0.031 0.088 0.145 0.000 -0.004 0.000 3/15120 830.0 0.031 0.087 0.143 0.000 -0.004 0.000 3/15120 840.0 0.030 0.086 0.141 0.000 -0.004 0.000 3/15120 850.0 0.030 0.085 0.140 0.000 -0.004 0.000 3/15120 860.0 0.030 0.084 0.138 0.000 -0.004 0.000 3/15120 870.0 0.029 0.083 0.136 0.000 -0.004 0.000 3/15120 880.0 0.029 0.082 0.135 0.000 -0.004 0.000 3/15120 890.0 0.029 0.081 0.133 0.000 -0.004 0.000 3/15120 900.0 0.028 0.080 0.132 0.000 -0.003 0.000 3/15120 910.0 0.028 0.079 0.131 0.000 -0.003 0.000 3/15120 920.0 0.028 0.078 0.129 0.000 -0.003 0.000 3/15120 930.0 0.027 0.078 0.128 0.000 -0.003 0.000 3/15120 940.0 0.027 0.077 0.126 0.000 -0.003 0.000 3/15120 950.0 0.027 0.076 0.125 0.000 -0.003 0.000 3/15120 960.0 0.027 0.075 0.124 0.000 -0.003 0.000 3/15120 970.0 0.026 0.075 0.123 0.000 -0.003 0.000 3/15120 980.0 0.026 0.074 0.121 0.000 -0.003 0.000 3/15120 990.0 0.026 0.073 0.120 0.000 -0.003 0.000 3/15120 1000.0 0.025 0.072 0.119 0.000 -0.003 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m547.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:49:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|