----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:49:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.141043804218659 -5.443480749999999 0.000000000000000 b 3.141043804218659 5.443480749999999 0.000000000000000 c -2.094330895146753 0.000000000000000 12.451259490095845 Atomic positions (fractional): *1 O 0.42013418547945 0.88388153679686 0.15304964408602 15.999 2 O 0.11611846320314 0.57986581452055 0.34695035591398 15.999 3 O 0.57986581452055 0.11611846320314 0.84695035591398 15.999 4 O 0.88388153679686 0.42013418547945 0.65304964408602 15.999 *5 O 0.68147393625794 0.51430399424792 0.15263404469248 15.999 6 O 0.48569600575208 0.31852606374206 0.34736595530752 15.999 *7 O 0.25123532071511 0.05120857751791 0.65347980299332 15.999 8 O 0.51430399424792 0.68147393625794 0.65263404469248 15.999 9 O 0.05120857751791 0.25123532071511 0.15347980299332 15.999 10 O 0.74876467928489 0.94879142248209 0.34652019700668 15.999 11 O 0.94879142248209 0.74876467928489 0.84652019700668 15.999 12 O 0.31852606374206 0.48569600575208 0.84736595530752 15.999 *13 Na 0.91611511464087 0.08388488535913 0.75000000000000 22.990 14 Na 0.08388488535913 0.91611511464087 0.25000000000000 22.990 *15 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 16 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 *17 K 0.68827402165647 0.84419385482475 0.00016401202513 39.098 18 K 0.15580614517525 0.31172597834353 0.49983598797487 39.098 19 K 0.84419385482474 0.68827402165647 0.50016401202512 39.098 20 K 0.31172597834353 0.15580614517526 0.99983598797488 39.098 *21 Th 0.74976172815206 0.25023827184794 0.25000000000000 232.038 22 Th 0.25023827184794 0.74976172815206 0.75000000000000 232.038 *23 Th 0.41699307390554 0.58300692609446 0.25000000000000 232.038 24 Th 0.58300692609446 0.41699307390554 0.75000000000000 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.282087608437317 0.000000000000000 0.000000000000000 b 0.000000000000000 10.886961499999998 0.000000000000000 c -2.094330895146753 0.000000000000000 12.451259490095845 Atomic positions (fractional): *1 O 0.65200786113816 0.23187367565871 0.15304964408602 15.999 > 1 2 O 0.34799213886184 0.23187367565871 0.34695035591398 15.999 > 2 3 O 0.84799213886184 0.26812632434129 0.84695035591398 15.999 > 3 4 O 0.15200786113816 0.26812632434129 0.65304964408602 15.999 > 4 *5 O 0.09788896525293 0.41641502899499 0.15263404469248 15.999 > 5 6 O 0.90211103474707 0.41641502899499 0.34736595530752 15.999 > 6 *7 O 0.65122194911651 0.39998662840140 0.65347980299332 15.999 > 7 8 O 0.59788896525293 0.08358497100501 0.65263404469248 15.999 > 8 9 O 0.15122194911651 0.10001337159860 0.15347980299332 15.999 > 9 10 O 0.84877805088349 0.10001337159860 0.34652019700668 15.999 > 10 11 O 0.34877805088349 0.39998662840140 0.84652019700668 15.999 > 11 12 O 0.40211103474707 0.08358497100501 0.84736595530752 15.999 > 12 13 O 0.15200786113816 0.73187367565871 0.15304964408602 15.999 > 1 14 O 0.84799213886184 0.73187367565871 0.34695035591398 15.999 > 2 15 O 0.34799213886184 0.76812632434129 0.84695035591398 15.999 > 3 16 O 0.65200786113816 0.76812632434129 0.65304964408602 15.999 > 4 17 O 0.59788896525293 0.91641502899499 0.15263404469248 15.999 > 5 18 O 0.40211103474707 0.91641502899499 0.34736595530752 15.999 > 6 19 O 0.15122194911651 0.89998662840140 0.65347980299332 15.999 > 7 20 O 0.09788896525293 0.58358497100501 0.65263404469248 15.999 > 8 21 O 0.65122194911651 0.60001337159860 0.15347980299332 15.999 > 9 22 O 0.34877805088349 0.60001337159860 0.34652019700668 15.999 > 10 23 O 0.84877805088349 0.89998662840140 0.84652019700668 15.999 > 11 24 O 0.90211103474707 0.58358497100501 0.84736595530752 15.999 > 12 *25 Na 0.00000000000000 0.08388488535913 0.75000000000000 22.990 > 13 26 Na 0.50000000000000 0.41611511464087 0.25000000000000 22.990 > 14 27 Na 0.50000000000000 0.58388488535913 0.75000000000000 22.990 > 13 28 Na 0.00000000000000 0.91611511464087 0.25000000000000 22.990 > 14 *29 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 15 30 K 0.75000000000000 0.25000000000000 0.50000000000000 39.098 > 16 *31 K 0.76623393824061 0.07795991658414 0.00016401202513 39.098 > 17 32 K 0.23376606175939 0.07795991658414 0.49983598797487 39.098 > 18 33 K 0.26623393824060 0.42204008341586 0.50016401202512 39.098 > 19 34 K 0.73376606175939 0.42204008341586 0.99983598797488 39.098 > 20 35 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 15 36 K 0.25000000000000 0.75000000000000 0.50000000000000 39.098 > 16 37 K 0.26623393824060 0.57795991658414 0.00016401202513 39.098 > 17 38 K 0.73376606175939 0.57795991658414 0.49983598797487 39.098 > 18 39 K 0.76623393824061 0.92204008341586 0.50016401202512 39.098 > 19 40 K 0.23376606175939 0.92204008341586 0.99983598797488 39.098 > 20 *41 Th 0.00000000000000 0.25023827184794 0.25000000000000 232.038 > 21 42 Th 0.50000000000000 0.24976172815206 0.75000000000000 232.038 > 22 *43 Th 0.50000000000000 0.08300692609446 0.25000000000000 232.038 > 23 44 Th 0.00000000000000 0.41699307390554 0.75000000000000 232.038 > 24 45 Th 0.50000000000000 0.75023827184794 0.25000000000000 232.038 > 21 46 Th 0.00000000000000 0.74976172815206 0.75000000000000 232.038 > 22 47 Th 0.00000000000000 0.58300692609446 0.25000000000000 232.038 > 23 48 Th 0.50000000000000 0.91699307390554 0.75000000000000 232.038 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.564175216874634 0.000000000000000 0.000000000000000 b 0.000000000000000 10.886961499999998 0.000000000000000 c -2.094330895146753 0.000000000000000 12.451259490095845 Atomic positions (fractional): *1 O 0.32600393056908 0.23187367565871 0.15304964408602 15.999 > 1 2 O 0.82600393056908 0.23187367565871 0.15304964408602 15.999 > 1 3 O 0.17399606943092 0.23187367565871 0.34695035591398 15.999 > 2 4 O 0.67399606943092 0.23187367565871 0.34695035591398 15.999 > 2 5 O 0.42399606943092 0.26812632434129 0.84695035591398 15.999 > 3 6 O 0.92399606943092 0.26812632434129 0.84695035591398 15.999 > 3 7 O 0.07600393056908 0.26812632434129 0.65304964408602 15.999 > 4 8 O 0.57600393056908 0.26812632434129 0.65304964408602 15.999 > 4 *9 O 0.04894448262646 0.41641502899499 0.15263404469248 15.999 > 5 10 O 0.54894448262646 0.41641502899499 0.15263404469248 15.999 > 5 11 O 0.45105551737354 0.41641502899499 0.34736595530752 15.999 > 6 12 O 0.95105551737354 0.41641502899499 0.34736595530752 15.999 > 6 *13 O 0.32561097455825 0.39998662840140 0.65347980299332 15.999 > 7 14 O 0.82561097455825 0.39998662840140 0.65347980299332 15.999 > 7 15 O 0.29894448262646 0.08358497100501 0.65263404469248 15.999 > 8 16 O 0.79894448262646 0.08358497100501 0.65263404469248 15.999 > 8 17 O 0.07561097455825 0.10001337159860 0.15347980299332 15.999 > 9 18 O 0.57561097455825 0.10001337159860 0.15347980299332 15.999 > 9 19 O 0.42438902544175 0.10001337159860 0.34652019700668 15.999 > 10 20 O 0.92438902544175 0.10001337159860 0.34652019700668 15.999 > 10 21 O 0.17438902544175 0.39998662840140 0.84652019700668 15.999 > 11 22 O 0.67438902544175 0.39998662840140 0.84652019700668 15.999 > 11 23 O 0.20105551737354 0.08358497100501 0.84736595530752 15.999 > 12 24 O 0.70105551737354 0.08358497100501 0.84736595530752 15.999 > 12 25 O 0.07600393056908 0.73187367565871 0.15304964408602 15.999 > 1 26 O 0.57600393056908 0.73187367565871 0.15304964408602 15.999 > 1 27 O 0.42399606943092 0.73187367565871 0.34695035591398 15.999 > 2 28 O 0.92399606943092 0.73187367565871 0.34695035591398 15.999 > 2 29 O 0.17399606943092 0.76812632434129 0.84695035591398 15.999 > 3 30 O 0.67399606943092 0.76812632434129 0.84695035591398 15.999 > 3 31 O 0.32600393056908 0.76812632434129 0.65304964408602 15.999 > 4 32 O 0.82600393056908 0.76812632434129 0.65304964408602 15.999 > 4 33 O 0.29894448262646 0.91641502899499 0.15263404469248 15.999 > 5 34 O 0.79894448262646 0.91641502899499 0.15263404469248 15.999 > 5 35 O 0.20105551737354 0.91641502899499 0.34736595530752 15.999 > 6 36 O 0.70105551737354 0.91641502899499 0.34736595530752 15.999 > 6 37 O 0.07561097455825 0.89998662840140 0.65347980299332 15.999 > 7 38 O 0.57561097455825 0.89998662840140 0.65347980299332 15.999 > 7 39 O 0.04894448262646 0.58358497100501 0.65263404469248 15.999 > 8 40 O 0.54894448262646 0.58358497100501 0.65263404469248 15.999 > 8 41 O 0.32561097455825 0.60001337159860 0.15347980299332 15.999 > 9 42 O 0.82561097455825 0.60001337159860 0.15347980299332 15.999 > 9 43 O 0.17438902544175 0.60001337159860 0.34652019700668 15.999 > 10 44 O 0.67438902544175 0.60001337159860 0.34652019700668 15.999 > 10 45 O 0.42438902544175 0.89998662840140 0.84652019700668 15.999 > 11 46 O 0.92438902544175 0.89998662840140 0.84652019700668 15.999 > 11 47 O 0.45105551737354 0.58358497100501 0.84736595530752 15.999 > 12 48 O 0.95105551737354 0.58358497100501 0.84736595530752 15.999 > 12 *49 Na 0.00000000000000 0.08388488535913 0.75000000000000 22.990 > 13 50 Na 0.50000000000000 0.08388488535913 0.75000000000000 22.990 > 13 51 Na 0.25000000000000 0.41611511464087 0.25000000000000 22.990 > 14 52 Na 0.75000000000000 0.41611511464087 0.25000000000000 22.990 > 14 53 Na 0.25000000000000 0.58388488535913 0.75000000000000 22.990 > 13 54 Na 0.75000000000000 0.58388488535913 0.75000000000000 22.990 > 13 55 Na 0.00000000000000 0.91611511464087 0.25000000000000 22.990 > 14 56 Na 0.50000000000000 0.91611511464087 0.25000000000000 22.990 > 14 *57 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 15 58 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 15 59 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 16 60 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 16 *61 K 0.38311696912030 0.07795991658414 0.00016401202513 39.098 > 17 62 K 0.88311696912030 0.07795991658414 0.00016401202513 39.098 > 17 63 K 0.11688303087970 0.07795991658414 0.49983598797487 39.098 > 18 64 K 0.61688303087970 0.07795991658414 0.49983598797487 39.098 > 18 65 K 0.13311696912030 0.42204008341586 0.50016401202512 39.098 > 19 66 K 0.63311696912030 0.42204008341586 0.50016401202512 39.098 > 19 67 K 0.36688303087970 0.42204008341586 0.99983598797488 39.098 > 20 68 K 0.86688303087970 0.42204008341586 0.99983598797488 39.098 > 20 69 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 15 70 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 15 71 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 16 72 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 16 73 K 0.13311696912030 0.57795991658414 0.00016401202513 39.098 > 17 74 K 0.63311696912030 0.57795991658414 0.00016401202513 39.098 > 17 75 K 0.36688303087970 0.57795991658414 0.49983598797487 39.098 > 18 76 K 0.86688303087970 0.57795991658414 0.49983598797487 39.098 > 18 77 K 0.38311696912030 0.92204008341586 0.50016401202512 39.098 > 19 78 K 0.88311696912030 0.92204008341586 0.50016401202512 39.098 > 19 79 K 0.11688303087970 0.92204008341586 0.99983598797488 39.098 > 20 80 K 0.61688303087970 0.92204008341586 0.99983598797488 39.098 > 20 *81 Th 0.00000000000000 0.25023827184794 0.25000000000000 232.038 > 21 82 Th 0.50000000000000 0.25023827184794 0.25000000000000 232.038 > 21 83 Th 0.25000000000000 0.24976172815206 0.75000000000000 232.038 > 22 84 Th 0.75000000000000 0.24976172815206 0.75000000000000 232.038 > 22 *85 Th 0.25000000000000 0.08300692609446 0.25000000000000 232.038 > 23 86 Th 0.75000000000000 0.08300692609446 0.25000000000000 232.038 > 23 87 Th 0.00000000000000 0.41699307390554 0.75000000000000 232.038 > 24 88 Th 0.50000000000000 0.41699307390554 0.75000000000000 232.038 > 24 89 Th 0.25000000000000 0.75023827184794 0.25000000000000 232.038 > 21 90 Th 0.75000000000000 0.75023827184794 0.25000000000000 232.038 > 21 91 Th 0.00000000000000 0.74976172815206 0.75000000000000 232.038 > 22 92 Th 0.50000000000000 0.74976172815206 0.75000000000000 232.038 > 22 93 Th 0.00000000000000 0.58300692609446 0.25000000000000 232.038 > 23 94 Th 0.50000000000000 0.58300692609446 0.25000000000000 232.038 > 23 95 Th 0.25000000000000 0.91699307390554 0.75000000000000 232.038 > 24 96 Th 0.75000000000000 0.91699307390554 0.75000000000000 232.038 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5591940 0.0000000 -0.0002440 0.0000000 3.5674056 0.0000000 -0.0002441 0.0000000 3.1129986 -------------------------- Born effective charges -------------------------- 1 O -2.9192323 -0.7758132 -0.1939050 -0.7800441 -2.0312095 0.3366273 -0.1889363 0.3248927 -1.9023095 2 O -2.9192323 0.7758132 -0.1939050 0.7800441 -2.0312095 -0.3366273 -0.1889363 -0.3248927 -1.9023095 3 O -2.9192323 -0.7758132 -0.1939050 -0.7800441 -2.0312095 0.3366273 -0.1889363 0.3248927 -1.9023095 4 O -2.9192323 0.7758132 -0.1939050 0.7800441 -2.0312095 -0.3366273 -0.1889363 -0.3248927 -1.9023095 5 O -1.5800190 -0.0032910 0.3892797 0.0003252 -3.3575486 0.0017565 0.3772192 0.0012860 -1.9082799 6 O -1.5800190 0.0032910 0.3892797 -0.0003252 -3.3575486 -0.0017565 0.3772192 -0.0012860 -1.9082799 7 O -2.9094181 -0.7633652 -0.2007698 -0.7637464 -2.0343276 0.3444948 -0.1930386 0.3295448 -1.9157598 8 O -1.5800190 0.0032910 0.3892797 -0.0003252 -3.3575486 -0.0017565 0.3772192 -0.0012860 -1.9082799 9 O -2.9094181 0.7633652 -0.2007698 0.7637464 -2.0343276 -0.3444948 -0.1930386 -0.3295448 -1.9157598 10 O -2.9094181 -0.7633652 -0.2007698 -0.7637464 -2.0343276 0.3444948 -0.1930386 0.3295448 -1.9157598 11 O -2.9094181 0.7633652 -0.2007698 0.7637464 -2.0343276 -0.3444948 -0.1930386 -0.3295448 -1.9157598 12 O -1.5800190 -0.0032910 0.3892797 0.0003252 -3.3575486 0.0017565 0.3772192 0.0012860 -1.9082799 13 Na 1.2209546 -0.0000000 0.0007468 0.0000000 1.2173585 0.0000000 -0.0010831 -0.0000000 0.7171698 14 Na 1.2209546 -0.0000000 0.0007468 0.0000000 1.2173585 0.0000000 -0.0010831 -0.0000000 0.7171698 15 K 1.0938419 -0.0726386 -0.0415431 -0.0726058 1.0091652 -0.0719699 -0.0518579 -0.0892701 1.4995697 16 K 1.0938419 0.0726386 -0.0415431 0.0726058 1.0091652 0.0719699 -0.0518579 0.0892701 1.4995697 17 K 1.0277771 0.0352742 0.0246421 0.0353321 1.0658294 0.0425245 0.0270652 0.0454196 1.4953337 18 K 1.0277771 -0.0352742 0.0246421 -0.0353321 1.0658294 -0.0425245 0.0270652 -0.0454196 1.4953337 19 K 1.0277771 -0.0352742 0.0246421 -0.0353321 1.0658294 -0.0425245 0.0270652 -0.0454196 1.4953337 20 K 1.0277771 0.0352742 0.0246421 0.0353321 1.0658294 0.0425245 0.0270652 0.0454196 1.4953337 21 Th 5.2168649 -0.0000000 0.0228750 0.0000000 5.2505423 0.0000000 0.0081159 -0.0000000 3.1224039 22 Th 5.2168649 -0.0000000 0.0228750 0.0000000 5.2505423 0.0000000 0.0081159 -0.0000000 3.1224039 23 Th 5.2301231 -0.0000000 -0.0205725 0.0000000 5.2374468 0.0000000 0.0002061 -0.0000000 3.1228878 24 Th 5.2301231 -0.0000000 -0.0205725 0.0000000 5.2374468 0.0000000 0.0002061 -0.0000000 3.1228878 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12240/12240 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2718 Number of blocks in projector: 2718 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: 596 Use submatrix version of eigh solver. (1) Block: 596 / 596 (2) Block: 250 / 596 (2) 235 eigenvectors found. (2) Block: 500 / 596 (2) 237 eigenvectors found. (2) Block: 596 / 596 (2) 88 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 581 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 240 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 240 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 334 Use standard eigh solver. Tree of FC basis block matrices: - (2718, 2659), data: False |-- (334, 326), data: True |-- (334, 326), data: True |-- (334, 326), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 14), data: (560, 24) @ (24, 14) |-- (60, 56), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 14), data: (560, 24) @ (24, 14) |-- (60, 56), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (596, 581), data: False |-- (596, 581), data: False |-- (596, 21), data: (596, 36) @ (36, 21) |-- (96, 88), data: True |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 720 - Time: 0.694 Solver_block: 200 / 720 - Time: 0.613 Solver_block: 300 / 720 - Time: 0.619 Solver_block: 400 / 720 - Time: 0.619 Solver_block: 500 / 720 - Time: 0.614 Solver_block: 600 / 720 - Time: 0.613 Solver_block: 700 / 720 - Time: 0.615 Solver_block: 720 / 720 - Time: 0.225 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.717 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 12240/12240 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2718 Number of blocks in projector: 2718 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: 596 Use submatrix version of eigh solver. (1) Block: 596 / 596 (2) Block: 250 / 596 (2) 235 eigenvectors found. (2) Block: 500 / 596 (2) 237 eigenvectors found. (2) Block: 596 / 596 (2) 88 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 581 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 240 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 240 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 334 Use standard eigh solver. Tree of FC basis block matrices: - (2718, 2659), data: False |-- (334, 326), data: True |-- (334, 326), data: True |-- (334, 326), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 14), data: (560, 24) @ (24, 14) |-- (60, 56), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 14), data: (560, 24) @ (24, 14) |-- (60, 56), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (596, 581), data: False |-- (596, 581), data: False |-- (596, 21), data: (596, 36) @ (36, 21) |-- (96, 88), data: True |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 03:49:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:49:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.141043804218659 -5.443480749999999 0.000000000000000 b 3.141043804218659 5.443480749999999 0.000000000000000 c -2.094330895146753 0.000000000000000 12.451259490095845 Atomic positions (fractional): 1 O 0.42013418547945 0.88388153679686 0.15304964408602 15.999 2 O 0.11611846320314 0.57986581452055 0.34695035591398 15.999 3 O 0.57986581452055 0.11611846320314 0.84695035591398 15.999 4 O 0.88388153679686 0.42013418547945 0.65304964408602 15.999 5 O 0.68147393625794 0.51430399424792 0.15263404469248 15.999 6 O 0.48569600575208 0.31852606374206 0.34736595530752 15.999 7 O 0.25123532071511 0.05120857751791 0.65347980299332 15.999 8 O 0.51430399424792 0.68147393625794 0.65263404469248 15.999 9 O 0.05120857751791 0.25123532071511 0.15347980299332 15.999 10 O 0.74876467928489 0.94879142248209 0.34652019700668 15.999 11 O 0.94879142248209 0.74876467928489 0.84652019700668 15.999 12 O 0.31852606374206 0.48569600575208 0.84736595530752 15.999 13 Na 0.91611511464087 0.08388488535913 0.75000000000000 22.990 14 Na 0.08388488535913 0.91611511464087 0.25000000000000 22.990 15 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 16 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 17 K 0.68827402165647 0.84419385482475 0.00016401202513 39.098 18 K 0.15580614517525 0.31172597834353 0.49983598797487 39.098 19 K 0.84419385482474 0.68827402165647 0.50016401202512 39.098 20 K 0.31172597834353 0.15580614517526 0.99983598797488 39.098 21 Th 0.74976172815206 0.25023827184794 0.25000000000000 232.038 22 Th 0.25023827184794 0.74976172815206 0.75000000000000 232.038 23 Th 0.41699307390554 0.58300692609446 0.25000000000000 232.038 24 Th 0.58300692609446 0.41699307390554 0.75000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.564175216874634 0.000000000000000 0.000000000000000 b 0.000000000000000 10.886961499999998 0.000000000000000 c -2.094330895146753 0.000000000000000 12.451259490095845 Atomic positions (fractional): 1 O 0.32600393056908 0.23187367565871 0.15304964408602 15.999 > 1 2 O 0.82600393056908 0.23187367565871 0.15304964408602 15.999 > 1 3 O 0.17399606943092 0.23187367565871 0.34695035591398 15.999 > 3 4 O 0.67399606943092 0.23187367565871 0.34695035591398 15.999 > 3 5 O 0.42399606943092 0.26812632434129 0.84695035591398 15.999 > 5 6 O 0.92399606943092 0.26812632434129 0.84695035591398 15.999 > 5 7 O 0.07600393056908 0.26812632434129 0.65304964408602 15.999 > 7 8 O 0.57600393056908 0.26812632434129 0.65304964408602 15.999 > 7 9 O 0.04894448262646 0.41641502899499 0.15263404469248 15.999 > 9 10 O 0.54894448262646 0.41641502899499 0.15263404469248 15.999 > 9 11 O 0.45105551737354 0.41641502899499 0.34736595530752 15.999 > 11 12 O 0.95105551737354 0.41641502899499 0.34736595530752 15.999 > 11 13 O 0.32561097455825 0.39998662840140 0.65347980299332 15.999 > 13 14 O 0.82561097455825 0.39998662840140 0.65347980299332 15.999 > 13 15 O 0.29894448262646 0.08358497100501 0.65263404469248 15.999 > 15 16 O 0.79894448262646 0.08358497100501 0.65263404469248 15.999 > 15 17 O 0.07561097455825 0.10001337159860 0.15347980299332 15.999 > 17 18 O 0.57561097455825 0.10001337159860 0.15347980299332 15.999 > 17 19 O 0.42438902544175 0.10001337159860 0.34652019700668 15.999 > 19 20 O 0.92438902544175 0.10001337159860 0.34652019700668 15.999 > 19 21 O 0.17438902544175 0.39998662840140 0.84652019700668 15.999 > 21 22 O 0.67438902544175 0.39998662840140 0.84652019700668 15.999 > 21 23 O 0.20105551737354 0.08358497100501 0.84736595530752 15.999 > 23 24 O 0.70105551737354 0.08358497100501 0.84736595530752 15.999 > 23 25 O 0.07600393056908 0.73187367565871 0.15304964408602 15.999 > 1 26 O 0.57600393056908 0.73187367565871 0.15304964408602 15.999 > 1 27 O 0.42399606943092 0.73187367565871 0.34695035591398 15.999 > 3 28 O 0.92399606943092 0.73187367565871 0.34695035591398 15.999 > 3 29 O 0.17399606943092 0.76812632434129 0.84695035591398 15.999 > 5 30 O 0.67399606943092 0.76812632434129 0.84695035591398 15.999 > 5 31 O 0.32600393056908 0.76812632434129 0.65304964408602 15.999 > 7 32 O 0.82600393056908 0.76812632434129 0.65304964408602 15.999 > 7 33 O 0.29894448262646 0.91641502899499 0.15263404469248 15.999 > 9 34 O 0.79894448262646 0.91641502899499 0.15263404469248 15.999 > 9 35 O 0.20105551737354 0.91641502899499 0.34736595530752 15.999 > 11 36 O 0.70105551737354 0.91641502899499 0.34736595530752 15.999 > 11 37 O 0.07561097455825 0.89998662840140 0.65347980299332 15.999 > 13 38 O 0.57561097455825 0.89998662840140 0.65347980299332 15.999 > 13 39 O 0.04894448262646 0.58358497100501 0.65263404469248 15.999 > 15 40 O 0.54894448262646 0.58358497100501 0.65263404469248 15.999 > 15 41 O 0.32561097455825 0.60001337159860 0.15347980299332 15.999 > 17 42 O 0.82561097455825 0.60001337159860 0.15347980299332 15.999 > 17 43 O 0.17438902544175 0.60001337159860 0.34652019700668 15.999 > 19 44 O 0.67438902544175 0.60001337159860 0.34652019700668 15.999 > 19 45 O 0.42438902544175 0.89998662840140 0.84652019700668 15.999 > 21 46 O 0.92438902544175 0.89998662840140 0.84652019700668 15.999 > 21 47 O 0.45105551737354 0.58358497100501 0.84736595530752 15.999 > 23 48 O 0.95105551737354 0.58358497100501 0.84736595530752 15.999 > 23 49 Na 0.00000000000000 0.08388488535913 0.75000000000000 22.990 > 49 50 Na 0.50000000000000 0.08388488535913 0.75000000000000 22.990 > 49 51 Na 0.25000000000000 0.41611511464087 0.25000000000000 22.990 > 51 52 Na 0.75000000000000 0.41611511464087 0.25000000000000 22.990 > 51 53 Na 0.25000000000000 0.58388488535913 0.75000000000000 22.990 > 49 54 Na 0.75000000000000 0.58388488535913 0.75000000000000 22.990 > 49 55 Na 0.00000000000000 0.91611511464087 0.25000000000000 22.990 > 51 56 Na 0.50000000000000 0.91611511464087 0.25000000000000 22.990 > 51 57 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 57 58 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 57 59 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 59 60 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 59 61 K 0.38311696912030 0.07795991658414 0.00016401202513 39.098 > 61 62 K 0.88311696912030 0.07795991658414 0.00016401202513 39.098 > 61 63 K 0.11688303087970 0.07795991658414 0.49983598797487 39.098 > 63 64 K 0.61688303087970 0.07795991658414 0.49983598797487 39.098 > 63 65 K 0.13311696912030 0.42204008341586 0.50016401202512 39.098 > 65 66 K 0.63311696912030 0.42204008341586 0.50016401202512 39.098 > 65 67 K 0.36688303087970 0.42204008341586 0.99983598797488 39.098 > 67 68 K 0.86688303087970 0.42204008341586 0.99983598797488 39.098 > 67 69 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 57 70 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 57 71 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 59 72 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 59 73 K 0.13311696912030 0.57795991658414 0.00016401202513 39.098 > 61 74 K 0.63311696912030 0.57795991658414 0.00016401202513 39.098 > 61 75 K 0.36688303087970 0.57795991658414 0.49983598797487 39.098 > 63 76 K 0.86688303087970 0.57795991658414 0.49983598797487 39.098 > 63 77 K 0.38311696912030 0.92204008341586 0.50016401202512 39.098 > 65 78 K 0.88311696912030 0.92204008341586 0.50016401202512 39.098 > 65 79 K 0.11688303087970 0.92204008341586 0.99983598797488 39.098 > 67 80 K 0.61688303087970 0.92204008341586 0.99983598797488 39.098 > 67 81 Th 0.00000000000000 0.25023827184794 0.25000000000000 232.038 > 81 82 Th 0.50000000000000 0.25023827184794 0.25000000000000 232.038 > 81 83 Th 0.25000000000000 0.24976172815206 0.75000000000000 232.038 > 83 84 Th 0.75000000000000 0.24976172815206 0.75000000000000 232.038 > 83 85 Th 0.25000000000000 0.08300692609446 0.25000000000000 232.038 > 85 86 Th 0.75000000000000 0.08300692609446 0.25000000000000 232.038 > 85 87 Th 0.00000000000000 0.41699307390554 0.75000000000000 232.038 > 87 88 Th 0.50000000000000 0.41699307390554 0.75000000000000 232.038 > 87 89 Th 0.25000000000000 0.75023827184794 0.25000000000000 232.038 > 81 90 Th 0.75000000000000 0.75023827184794 0.25000000000000 232.038 > 81 91 Th 0.00000000000000 0.74976172815206 0.75000000000000 232.038 > 83 92 Th 0.50000000000000 0.74976172815206 0.75000000000000 232.038 > 83 93 Th 0.00000000000000 0.58300692609446 0.25000000000000 232.038 > 85 94 Th 0.50000000000000 0.58300692609446 0.25000000000000 232.038 > 85 95 Th 0.25000000000000 0.91699307390554 0.75000000000000 232.038 > 87 96 Th 0.75000000000000 0.91699307390554 0.75000000000000 232.038 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5591940 0.0000000 -0.0002440 0.0000000 3.5674056 0.0000000 -0.0002441 0.0000000 3.1129986 -------------------------- Born effective charges -------------------------- 1 O -2.9192323 -0.7758132 -0.1939050 -0.7800441 -2.0312095 0.3366273 -0.1889363 0.3248927 -1.9023095 2 O -2.9192323 0.7758132 -0.1939050 0.7800441 -2.0312095 -0.3366273 -0.1889363 -0.3248927 -1.9023095 3 O -2.9192323 -0.7758132 -0.1939050 -0.7800441 -2.0312095 0.3366273 -0.1889363 0.3248927 -1.9023095 4 O -2.9192323 0.7758132 -0.1939050 0.7800441 -2.0312095 -0.3366273 -0.1889363 -0.3248927 -1.9023095 5 O -1.5800190 -0.0032910 0.3892797 0.0003252 -3.3575486 0.0017565 0.3772192 0.0012860 -1.9082799 6 O -1.5800190 0.0032910 0.3892797 -0.0003252 -3.3575486 -0.0017565 0.3772192 -0.0012860 -1.9082799 7 O -2.9094181 -0.7633652 -0.2007698 -0.7637464 -2.0343276 0.3444948 -0.1930386 0.3295448 -1.9157598 8 O -1.5800190 0.0032910 0.3892797 -0.0003252 -3.3575486 -0.0017565 0.3772192 -0.0012860 -1.9082799 9 O -2.9094181 0.7633652 -0.2007698 0.7637464 -2.0343276 -0.3444948 -0.1930386 -0.3295448 -1.9157598 10 O -2.9094181 -0.7633652 -0.2007698 -0.7637464 -2.0343276 0.3444948 -0.1930386 0.3295448 -1.9157598 11 O -2.9094181 0.7633652 -0.2007698 0.7637464 -2.0343276 -0.3444948 -0.1930386 -0.3295448 -1.9157598 12 O -1.5800190 -0.0032910 0.3892797 0.0003252 -3.3575486 0.0017565 0.3772192 0.0012860 -1.9082799 13 Na 1.2209546 -0.0000000 0.0007468 0.0000000 1.2173585 0.0000000 -0.0010831 -0.0000000 0.7171698 14 Na 1.2209546 -0.0000000 0.0007468 0.0000000 1.2173585 0.0000000 -0.0010831 -0.0000000 0.7171698 15 K 1.0938419 -0.0726386 -0.0415431 -0.0726058 1.0091652 -0.0719699 -0.0518579 -0.0892701 1.4995697 16 K 1.0938419 0.0726386 -0.0415431 0.0726058 1.0091652 0.0719699 -0.0518579 0.0892701 1.4995697 17 K 1.0277771 0.0352742 0.0246421 0.0353321 1.0658294 0.0425245 0.0270652 0.0454196 1.4953337 18 K 1.0277771 -0.0352742 0.0246421 -0.0353321 1.0658294 -0.0425245 0.0270652 -0.0454196 1.4953337 19 K 1.0277771 -0.0352742 0.0246421 -0.0353321 1.0658294 -0.0425245 0.0270652 -0.0454196 1.4953337 20 K 1.0277771 0.0352742 0.0246421 0.0353321 1.0658294 0.0425245 0.0270652 0.0454196 1.4953337 21 Th 5.2168649 -0.0000000 0.0228750 0.0000000 5.2505423 0.0000000 0.0081159 -0.0000000 3.1224039 22 Th 5.2168649 -0.0000000 0.0228750 0.0000000 5.2505423 0.0000000 0.0081159 -0.0000000 3.1224039 23 Th 5.2301231 -0.0000000 -0.0205725 0.0000000 5.2374468 0.0000000 0.0002061 -0.0000000 3.1228878 24 Th 5.2301231 -0.0000000 -0.0205725 0.0000000 5.2374468 0.0000000 0.0002061 -0.0000000 3.1228878 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 9, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 61, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 85, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 03:50:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:50:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.141043804218659 -5.443480749999999 0.000000000000000 b 3.141043804218659 5.443480749999999 0.000000000000000 c -2.094330895146753 0.000000000000000 12.451259490095845 Atomic positions (fractional): 1 O 0.42013418547945 0.88388153679686 0.15304964408602 15.999 2 O 0.11611846320314 0.57986581452055 0.34695035591398 15.999 3 O 0.57986581452055 0.11611846320314 0.84695035591398 15.999 4 O 0.88388153679686 0.42013418547945 0.65304964408602 15.999 5 O 0.68147393625794 0.51430399424792 0.15263404469248 15.999 6 O 0.48569600575208 0.31852606374206 0.34736595530752 15.999 7 O 0.25123532071511 0.05120857751791 0.65347980299332 15.999 8 O 0.51430399424792 0.68147393625794 0.65263404469248 15.999 9 O 0.05120857751791 0.25123532071511 0.15347980299332 15.999 10 O 0.74876467928489 0.94879142248209 0.34652019700668 15.999 11 O 0.94879142248209 0.74876467928489 0.84652019700668 15.999 12 O 0.31852606374206 0.48569600575208 0.84736595530752 15.999 13 Na 0.91611511464087 0.08388488535913 0.75000000000000 22.990 14 Na 0.08388488535913 0.91611511464087 0.25000000000000 22.990 15 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 16 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 17 K 0.68827402165647 0.84419385482475 0.00016401202513 39.098 18 K 0.15580614517525 0.31172597834353 0.49983598797487 39.098 19 K 0.84419385482474 0.68827402165647 0.50016401202512 39.098 20 K 0.31172597834353 0.15580614517526 0.99983598797488 39.098 21 Th 0.74976172815206 0.25023827184794 0.25000000000000 232.038 22 Th 0.25023827184794 0.74976172815206 0.75000000000000 232.038 23 Th 0.41699307390554 0.58300692609446 0.25000000000000 232.038 24 Th 0.58300692609446 0.41699307390554 0.75000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.564175216874634 0.000000000000000 0.000000000000000 b 0.000000000000000 10.886961499999998 0.000000000000000 c -2.094330895146753 0.000000000000000 12.451259490095845 Atomic positions (fractional): 1 O 0.32600393056908 0.23187367565871 0.15304964408602 15.999 > 1 2 O 0.82600393056908 0.23187367565871 0.15304964408602 15.999 > 1 3 O 0.17399606943092 0.23187367565871 0.34695035591398 15.999 > 3 4 O 0.67399606943092 0.23187367565871 0.34695035591398 15.999 > 3 5 O 0.42399606943092 0.26812632434129 0.84695035591398 15.999 > 5 6 O 0.92399606943092 0.26812632434129 0.84695035591398 15.999 > 5 7 O 0.07600393056908 0.26812632434129 0.65304964408602 15.999 > 7 8 O 0.57600393056908 0.26812632434129 0.65304964408602 15.999 > 7 9 O 0.04894448262646 0.41641502899499 0.15263404469248 15.999 > 9 10 O 0.54894448262646 0.41641502899499 0.15263404469248 15.999 > 9 11 O 0.45105551737354 0.41641502899499 0.34736595530752 15.999 > 11 12 O 0.95105551737354 0.41641502899499 0.34736595530752 15.999 > 11 13 O 0.32561097455825 0.39998662840140 0.65347980299332 15.999 > 13 14 O 0.82561097455825 0.39998662840140 0.65347980299332 15.999 > 13 15 O 0.29894448262646 0.08358497100501 0.65263404469248 15.999 > 15 16 O 0.79894448262646 0.08358497100501 0.65263404469248 15.999 > 15 17 O 0.07561097455825 0.10001337159860 0.15347980299332 15.999 > 17 18 O 0.57561097455825 0.10001337159860 0.15347980299332 15.999 > 17 19 O 0.42438902544175 0.10001337159860 0.34652019700668 15.999 > 19 20 O 0.92438902544175 0.10001337159860 0.34652019700668 15.999 > 19 21 O 0.17438902544175 0.39998662840140 0.84652019700668 15.999 > 21 22 O 0.67438902544175 0.39998662840140 0.84652019700668 15.999 > 21 23 O 0.20105551737354 0.08358497100501 0.84736595530752 15.999 > 23 24 O 0.70105551737354 0.08358497100501 0.84736595530752 15.999 > 23 25 O 0.07600393056908 0.73187367565871 0.15304964408602 15.999 > 1 26 O 0.57600393056908 0.73187367565871 0.15304964408602 15.999 > 1 27 O 0.42399606943092 0.73187367565871 0.34695035591398 15.999 > 3 28 O 0.92399606943092 0.73187367565871 0.34695035591398 15.999 > 3 29 O 0.17399606943092 0.76812632434129 0.84695035591398 15.999 > 5 30 O 0.67399606943092 0.76812632434129 0.84695035591398 15.999 > 5 31 O 0.32600393056908 0.76812632434129 0.65304964408602 15.999 > 7 32 O 0.82600393056908 0.76812632434129 0.65304964408602 15.999 > 7 33 O 0.29894448262646 0.91641502899499 0.15263404469248 15.999 > 9 34 O 0.79894448262646 0.91641502899499 0.15263404469248 15.999 > 9 35 O 0.20105551737354 0.91641502899499 0.34736595530752 15.999 > 11 36 O 0.70105551737354 0.91641502899499 0.34736595530752 15.999 > 11 37 O 0.07561097455825 0.89998662840140 0.65347980299332 15.999 > 13 38 O 0.57561097455825 0.89998662840140 0.65347980299332 15.999 > 13 39 O 0.04894448262646 0.58358497100501 0.65263404469248 15.999 > 15 40 O 0.54894448262646 0.58358497100501 0.65263404469248 15.999 > 15 41 O 0.32561097455825 0.60001337159860 0.15347980299332 15.999 > 17 42 O 0.82561097455825 0.60001337159860 0.15347980299332 15.999 > 17 43 O 0.17438902544175 0.60001337159860 0.34652019700668 15.999 > 19 44 O 0.67438902544175 0.60001337159860 0.34652019700668 15.999 > 19 45 O 0.42438902544175 0.89998662840140 0.84652019700668 15.999 > 21 46 O 0.92438902544175 0.89998662840140 0.84652019700668 15.999 > 21 47 O 0.45105551737354 0.58358497100501 0.84736595530752 15.999 > 23 48 O 0.95105551737354 0.58358497100501 0.84736595530752 15.999 > 23 49 Na 0.00000000000000 0.08388488535913 0.75000000000000 22.990 > 49 50 Na 0.50000000000000 0.08388488535913 0.75000000000000 22.990 > 49 51 Na 0.25000000000000 0.41611511464087 0.25000000000000 22.990 > 51 52 Na 0.75000000000000 0.41611511464087 0.25000000000000 22.990 > 51 53 Na 0.25000000000000 0.58388488535913 0.75000000000000 22.990 > 49 54 Na 0.75000000000000 0.58388488535913 0.75000000000000 22.990 > 49 55 Na 0.00000000000000 0.91611511464087 0.25000000000000 22.990 > 51 56 Na 0.50000000000000 0.91611511464087 0.25000000000000 22.990 > 51 57 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 57 58 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 57 59 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 59 60 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 59 61 K 0.38311696912030 0.07795991658414 0.00016401202513 39.098 > 61 62 K 0.88311696912030 0.07795991658414 0.00016401202513 39.098 > 61 63 K 0.11688303087970 0.07795991658414 0.49983598797487 39.098 > 63 64 K 0.61688303087970 0.07795991658414 0.49983598797487 39.098 > 63 65 K 0.13311696912030 0.42204008341586 0.50016401202512 39.098 > 65 66 K 0.63311696912030 0.42204008341586 0.50016401202512 39.098 > 65 67 K 0.36688303087970 0.42204008341586 0.99983598797488 39.098 > 67 68 K 0.86688303087970 0.42204008341586 0.99983598797488 39.098 > 67 69 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 57 70 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 57 71 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 59 72 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 59 73 K 0.13311696912030 0.57795991658414 0.00016401202513 39.098 > 61 74 K 0.63311696912030 0.57795991658414 0.00016401202513 39.098 > 61 75 K 0.36688303087970 0.57795991658414 0.49983598797487 39.098 > 63 76 K 0.86688303087970 0.57795991658414 0.49983598797487 39.098 > 63 77 K 0.38311696912030 0.92204008341586 0.50016401202512 39.098 > 65 78 K 0.88311696912030 0.92204008341586 0.50016401202512 39.098 > 65 79 K 0.11688303087970 0.92204008341586 0.99983598797488 39.098 > 67 80 K 0.61688303087970 0.92204008341586 0.99983598797488 39.098 > 67 81 Th 0.00000000000000 0.25023827184794 0.25000000000000 232.038 > 81 82 Th 0.50000000000000 0.25023827184794 0.25000000000000 232.038 > 81 83 Th 0.25000000000000 0.24976172815206 0.75000000000000 232.038 > 83 84 Th 0.75000000000000 0.24976172815206 0.75000000000000 232.038 > 83 85 Th 0.25000000000000 0.08300692609446 0.25000000000000 232.038 > 85 86 Th 0.75000000000000 0.08300692609446 0.25000000000000 232.038 > 85 87 Th 0.00000000000000 0.41699307390554 0.75000000000000 232.038 > 87 88 Th 0.50000000000000 0.41699307390554 0.75000000000000 232.038 > 87 89 Th 0.25000000000000 0.75023827184794 0.25000000000000 232.038 > 81 90 Th 0.75000000000000 0.75023827184794 0.25000000000000 232.038 > 81 91 Th 0.00000000000000 0.74976172815206 0.75000000000000 232.038 > 83 92 Th 0.50000000000000 0.74976172815206 0.75000000000000 232.038 > 83 93 Th 0.00000000000000 0.58300692609446 0.25000000000000 232.038 > 85 94 Th 0.50000000000000 0.58300692609446 0.25000000000000 232.038 > 85 95 Th 0.25000000000000 0.91699307390554 0.75000000000000 232.038 > 87 96 Th 0.75000000000000 0.91699307390554 0.75000000000000 232.038 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5591940 0.0000000 -0.0002440 0.0000000 3.5674056 0.0000000 -0.0002441 0.0000000 3.1129986 -------------------------- Born effective charges -------------------------- 1 O -2.9192323 -0.7758132 -0.1939050 -0.7800441 -2.0312095 0.3366273 -0.1889363 0.3248927 -1.9023095 2 O -2.9192323 0.7758132 -0.1939050 0.7800441 -2.0312095 -0.3366273 -0.1889363 -0.3248927 -1.9023095 3 O -2.9192323 -0.7758132 -0.1939050 -0.7800441 -2.0312095 0.3366273 -0.1889363 0.3248927 -1.9023095 4 O -2.9192323 0.7758132 -0.1939050 0.7800441 -2.0312095 -0.3366273 -0.1889363 -0.3248927 -1.9023095 5 O -1.5800190 -0.0032910 0.3892797 0.0003252 -3.3575486 0.0017565 0.3772192 0.0012860 -1.9082799 6 O -1.5800190 0.0032910 0.3892797 -0.0003252 -3.3575486 -0.0017565 0.3772192 -0.0012860 -1.9082799 7 O -2.9094181 -0.7633652 -0.2007698 -0.7637464 -2.0343276 0.3444948 -0.1930386 0.3295448 -1.9157598 8 O -1.5800190 0.0032910 0.3892797 -0.0003252 -3.3575486 -0.0017565 0.3772192 -0.0012860 -1.9082799 9 O -2.9094181 0.7633652 -0.2007698 0.7637464 -2.0343276 -0.3444948 -0.1930386 -0.3295448 -1.9157598 10 O -2.9094181 -0.7633652 -0.2007698 -0.7637464 -2.0343276 0.3444948 -0.1930386 0.3295448 -1.9157598 11 O -2.9094181 0.7633652 -0.2007698 0.7637464 -2.0343276 -0.3444948 -0.1930386 -0.3295448 -1.9157598 12 O -1.5800190 -0.0032910 0.3892797 0.0003252 -3.3575486 0.0017565 0.3772192 0.0012860 -1.9082799 13 Na 1.2209546 -0.0000000 0.0007468 0.0000000 1.2173585 0.0000000 -0.0010831 -0.0000000 0.7171698 14 Na 1.2209546 -0.0000000 0.0007468 0.0000000 1.2173585 0.0000000 -0.0010831 -0.0000000 0.7171698 15 K 1.0938419 -0.0726386 -0.0415431 -0.0726058 1.0091652 -0.0719699 -0.0518579 -0.0892701 1.4995697 16 K 1.0938419 0.0726386 -0.0415431 0.0726058 1.0091652 0.0719699 -0.0518579 0.0892701 1.4995697 17 K 1.0277771 0.0352742 0.0246421 0.0353321 1.0658294 0.0425245 0.0270652 0.0454196 1.4953337 18 K 1.0277771 -0.0352742 0.0246421 -0.0353321 1.0658294 -0.0425245 0.0270652 -0.0454196 1.4953337 19 K 1.0277771 -0.0352742 0.0246421 -0.0353321 1.0658294 -0.0425245 0.0270652 -0.0454196 1.4953337 20 K 1.0277771 0.0352742 0.0246421 0.0353321 1.0658294 0.0425245 0.0270652 0.0454196 1.4953337 21 Th 5.2168649 -0.0000000 0.0228750 0.0000000 5.2505423 0.0000000 0.0081159 -0.0000000 3.1224039 22 Th 5.2168649 -0.0000000 0.0228750 0.0000000 5.2505423 0.0000000 0.0081159 -0.0000000 3.1224039 23 Th 5.2301231 -0.0000000 -0.0205725 0.0000000 5.2374468 0.0000000 0.0002061 -0.0000000 3.1228878 24 Th 5.2301231 -0.0000000 -0.0205725 0.0000000 5.2374468 0.0000000 0.0002061 -0.0000000 3.1228878 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.094 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.527 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 9.846 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 9.969 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.264 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 14.879 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 16.620 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 17.943 -8.891 3.534) 20.334 0.530 ( 21.006 -13.808 2.340) 25.247 0.981 ( 40.304 -23.841 1.263) 46.844 1.312 ( 7.261 -4.478 -1.549) 8.670 1.492 ( 20.856 -12.406 -0.611) 24.274 1.958 ( 4.196 -3.251 1.560) 5.532 2.080 ( 2.268 -7.487 -1.070) 7.895 2.311 ( -5.886 0.190 -1.184) 6.007 2.427 ( 0.915 1.093 -0.116) 1.430 2.439 ( -0.399 2.428 0.833) 2.598 2.676 ( 8.730 -0.374 -0.895) 8.784 2.891 ( 8.117 -3.367 -1.006) 8.845 2.969 ( -2.222 1.028 1.442) 2.841 3.309 ( -4.342 5.481 -1.181) 7.092 3.448 ( -4.435 0.773 -1.794) 4.847 3.499 ( -6.607 1.397 2.654) 7.256 3.780 ( -2.291 2.011 0.021) 3.049 3.811 ( -0.372 2.198 0.465) 2.277 3.996 ( -8.147 0.853 0.400) 8.201 4.141 ( -1.144 1.402 -3.338) 3.797 4.266 ( -1.883 4.809 1.299) 5.326 4.384 ( -1.269 0.668 2.696) 3.053 4.414 ( -5.834 3.070 3.831) 7.625 4.442 ( -2.518 -4.437 -0.739) 5.155 4.666 ( -3.404 4.301 -0.148) 5.487 4.672 ( 1.483 4.967 -1.251) 5.333 4.726 ( 4.962 1.560 -5.664) 7.689 4.810 ( -4.721 0.099 -2.701) 5.439 4.919 ( -3.776 -4.196 -2.196) 6.057 5.096 ( -2.542 -0.119 2.683) 3.698 5.318 ( -1.522 3.260 1.108) 3.764 5.351 ( -3.908 2.885 3.896) 6.227 5.519 ( -2.745 1.307 -2.082) 3.685 5.560 ( -3.195 -0.050 0.569) 3.245 5.604 ( -0.034 2.885 1.098) 3.087 5.638 ( 0.964 -1.750 -1.942) 2.786 5.990 ( 2.669 -1.442 2.582) 3.984 6.064 ( 1.251 0.137 2.825) 3.093 6.168 ( -0.860 -1.839 -3.266) 3.845 6.330 ( 4.861 0.926 1.074) 5.063 6.500 ( -0.147 -1.770 0.106) 1.779 6.814 ( -1.275 1.562 5.716) 6.062 7.600 ( -2.679 1.990 -1.891) 3.836 7.696 ( 1.608 3.843 0.749) 4.233 7.758 ( -1.055 -2.351 -0.761) 2.687 8.132 ( -13.629 8.792 -2.469) 16.406 8.665 ( 7.115 -2.411 -1.337) 7.630 8.945 ( -0.687 -3.727 -0.302) 3.802 9.091 ( 3.873 2.441 -0.371) 4.593 9.162 ( 3.256 -3.950 0.476) 5.141 9.412 ( -4.262 -0.087 0.694) 4.319 9.550 ( 1.847 1.489 -0.479) 2.421 9.709 ( 9.996 -3.189 -1.311) 10.574 9.837 ( 0.642 -3.668 -0.596) 3.771 9.885 ( 1.783 -1.644 -2.128) 3.227 9.946 ( 1.644 -2.398 0.241) 2.917 9.992 ( -1.403 -2.216 3.072) 4.039 10.275 ( 2.803 3.063 2.413) 4.802 10.318 ( 2.021 -1.204 -2.572) 3.486 10.350 ( 8.908 -1.217 -2.481) 9.327 10.472 ( 5.101 -9.996 2.640) 11.528 10.781 ( -4.321 1.552 -6.209) 7.722 11.054 ( -0.139 1.519 -0.304) 1.556 11.100 ( 1.588 -1.495 -0.541) 2.247 11.151 ( 2.746 -4.079 0.494) 4.942 11.187 ( 9.437 -2.136 -1.243) 9.756 14.429 ( -12.357 7.043 -1.244) 14.277 14.556 ( -14.954 8.339 1.276) 17.169 14.937 ( 4.885 -3.091 1.846) 6.068 15.900 ( 9.017 -3.540 -18.278) 20.686 16.604 ( 0.232 1.116 -0.006) 1.140 16.649 ( 0.422 -2.991 -0.084) 3.022 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 16.668 -8.604 3.989) 19.177 1.029 ( 19.404 -12.248 2.391) 23.071 1.517 ( 8.716 -7.848 -3.213) 12.160 1.878 ( 21.385 -11.169 -1.350) 24.164 1.918 ( 22.651 -13.854 2.093) 26.634 2.137 ( 0.240 1.460 -5.576) 5.769 2.215 ( 12.657 -9.325 3.807) 16.175 2.291 ( 4.447 -12.443 1.287) 13.276 2.386 ( -2.253 3.103 0.659) 3.891 2.460 ( 3.537 -2.250 -0.344) 4.207 2.830 ( 7.275 3.258 -0.744) 8.006 2.926 ( 1.359 0.876 0.746) 1.780 3.136 ( 1.835 3.554 -0.050) 3.999 3.144 ( 4.138 -2.465 -2.273) 5.326 3.250 ( -11.685 3.504 -0.109) 12.200 3.433 ( -2.113 0.007 0.684) 2.221 3.662 ( -5.411 2.552 -5.454) 8.095 3.705 ( -7.416 7.675 4.279) 11.499 3.883 ( -3.808 -1.363 1.560) 4.335 4.088 ( -4.843 -0.033 -2.378) 5.396 4.201 ( 0.382 5.372 2.058) 5.765 4.245 ( -6.991 5.811 1.995) 9.308 4.319 ( -4.895 2.266 2.422) 5.913 4.423 ( -5.045 0.570 -3.695) 6.279 4.509 ( -3.157 6.962 3.874) 8.570 4.622 ( -2.310 -0.254 -5.452) 5.927 4.739 ( -4.391 -2.695 -1.432) 5.347 4.782 ( 2.920 3.238 -4.959) 6.603 4.895 ( -3.529 -4.293 4.239) 6.990 5.020 ( -3.719 2.241 1.600) 4.628 5.208 ( -6.566 5.681 1.511) 8.813 5.291 ( -2.655 -0.684 3.241) 4.245 5.431 ( -2.507 4.114 -3.650) 6.045 5.492 ( -3.557 0.205 0.429) 3.589 5.561 ( -0.061 5.118 -0.103) 5.120 5.681 ( 0.390 -3.060 -0.861) 3.202 6.065 ( 2.159 -1.424 5.327) 5.922 6.121 ( 4.124 -1.170 0.464) 4.312 6.176 ( 0.926 -1.690 -3.505) 4.000 6.407 ( 4.563 1.503 -0.475) 4.828 6.535 ( 1.266 -3.464 -0.898) 3.795 6.783 ( -2.460 0.769 3.407) 4.272 7.506 ( -4.800 2.416 -1.341) 5.538 7.651 ( -1.730 5.039 -1.356) 5.498 7.732 ( -1.950 -0.255 -0.039) 1.967 7.798 ( -12.640 6.893 -0.234) 14.399 8.768 ( 3.464 -0.952 0.567) 3.637 8.968 ( 0.400 -1.521 -1.865) 2.439 9.142 ( 3.482 1.349 -0.617) 3.785 9.227 ( 0.122 -0.884 -0.081) 0.896 9.382 ( -0.467 -2.923 2.135) 3.649 9.551 ( -0.520 -0.520 1.213) 1.419 9.752 ( -3.789 1.585 -1.809) 4.488 9.762 ( 3.102 5.341 -1.890) 6.459 9.864 ( -5.131 1.441 3.407) 6.326 9.939 ( -4.578 1.471 -0.646) 4.851 10.260 ( 5.263 -4.458 -2.396) 7.302 10.360 ( 0.410 -7.875 1.984) 8.132 10.426 ( 15.387 -4.732 -0.176) 16.099 10.582 ( 11.375 -3.683 -0.781) 11.982 10.630 ( 0.649 -4.674 0.019) 4.719 10.687 ( 0.112 3.147 -0.347) 3.168 11.039 ( 1.189 1.277 -1.720) 2.450 11.196 ( 4.028 -7.374 2.028) 8.644 11.307 ( 8.663 -7.940 -0.237) 11.754 11.422 ( 15.278 -2.434 0.539) 15.480 14.023 ( -21.217 11.890 -1.020) 24.343 14.122 ( -21.454 11.932 0.871) 24.564 15.144 ( 12.537 -5.497 4.351) 14.364 16.025 ( 5.878 -1.805 -11.188) 12.766 16.610 ( 0.499 -0.899 0.490) 1.139 16.697 ( 1.248 -3.811 -1.185) 4.182 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 12.794 -6.877 4.010) 15.069 1.472 ( 16.682 -9.839 1.977) 19.468 1.723 ( 7.101 -5.251 -2.799) 9.265 1.971 ( 0.330 -1.182 -2.100) 2.432 2.060 ( -1.875 1.386 -3.527) 4.228 2.296 ( -2.562 2.963 1.942) 4.372 2.352 ( 2.414 -4.455 2.090) 5.481 2.516 ( 3.890 -3.313 -2.301) 5.603 2.696 ( 26.415 -17.421 0.643) 31.649 2.764 ( 4.632 -5.047 2.738) 7.377 2.839 ( 9.267 -6.269 0.042) 11.188 2.936 ( -4.359 5.543 -0.475) 7.068 2.963 ( -8.840 2.470 0.429) 9.188 3.089 ( 3.120 3.749 -1.045) 4.988 3.261 ( 2.702 3.336 -0.459) 4.318 3.484 ( -6.219 2.505 4.662) 8.166 3.578 ( 9.351 -4.604 -2.256) 10.664 3.581 ( -0.439 -0.795 -4.569) 4.659 3.812 ( -5.881 1.719 1.870) 6.406 3.964 ( -5.258 3.272 0.121) 6.195 4.066 ( -6.138 3.452 1.283) 7.158 4.189 ( -0.441 4.794 0.342) 4.826 4.226 ( -0.577 5.532 -1.808) 5.849 4.252 ( -7.219 -2.949 -0.747) 7.834 4.468 ( -2.019 2.340 3.546) 4.704 4.573 ( -0.093 2.846 -5.042) 5.791 4.655 ( -7.901 -2.553 0.153) 8.304 4.747 ( 0.403 3.277 -4.877) 5.889 4.869 ( -7.052 -2.694 6.387) 9.888 4.963 ( -1.842 3.189 0.072) 3.684 5.056 ( -2.752 2.756 1.702) 4.251 5.234 ( -4.630 1.107 0.118) 4.762 5.351 ( -0.569 3.434 0.474) 3.513 5.450 ( -2.472 -2.002 -0.448) 3.212 5.503 ( -0.048 5.310 -0.383) 5.324 5.698 ( -0.401 -1.078 -1.295) 1.732 6.124 ( 0.909 -1.590 5.599) 5.891 6.184 ( 1.960 -1.307 -6.453) 6.869 6.244 ( 5.404 -0.338 4.545) 7.070 6.450 ( 1.882 0.516 -2.792) 3.406 6.598 ( 2.085 -3.352 -2.858) 4.874 6.730 ( -3.661 0.912 3.777) 5.339 7.377 ( -6.058 1.950 -1.252) 6.486 7.471 ( -10.033 5.678 -0.480) 11.539 7.633 ( 1.112 3.035 -1.231) 3.458 7.750 ( 0.908 -0.931 1.074) 1.687 8.831 ( 2.656 -0.182 2.872) 3.916 8.972 ( -0.034 -0.226 -3.995) 4.002 9.157 ( -0.906 -0.163 0.911) 1.295 9.240 ( -0.103 -3.556 -1.747) 3.963 9.420 ( 1.457 -0.732 1.518) 2.227 9.568 ( 1.068 0.419 1.104) 1.592 9.652 ( -4.525 1.331 -0.055) 4.717 9.725 ( -1.517 4.654 -0.136) 4.897 9.771 ( -3.834 1.986 0.066) 4.318 9.832 ( -2.386 4.680 0.202) 5.257 10.321 ( 2.530 -0.656 -2.931) 3.927 10.460 ( -0.780 -7.247 4.987) 8.832 10.573 ( -3.276 -1.108 2.061) 4.026 10.637 ( 1.318 -1.937 2.788) 3.642 10.696 ( 5.026 3.946 -2.393) 6.823 10.788 ( 4.280 -3.961 -1.819) 6.108 11.078 ( 4.573 0.660 -4.370) 6.360 11.358 ( 4.113 -6.049 1.715) 7.513 11.624 ( 15.955 -11.184 -1.753) 19.563 11.802 ( 20.439 -8.131 1.788) 22.069 13.468 ( -25.319 13.904 0.184) 28.886 13.593 ( -23.212 12.853 -0.202) 26.534 15.477 ( 15.629 -4.544 5.028) 17.035 16.070 ( 1.560 0.122 -6.530) 6.715 16.639 ( 0.034 -2.660 1.904) 3.271 16.755 ( 1.530 -3.142 -3.119) 4.684 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 5.245 -2.919 2.075) 6.351 1.798 ( 9.385 -4.794 0.755) 10.565 1.835 ( 2.536 -1.060 -1.033) 2.936 1.943 ( -2.107 0.323 -1.567) 2.646 2.041 ( -0.190 -0.767 -1.049) 1.314 2.237 ( -1.333 1.191 0.670) 1.909 2.455 ( 4.285 -2.634 0.877) 5.106 2.573 ( 0.888 -0.529 -0.673) 1.234 2.695 ( -9.298 3.037 0.199) 9.783 2.753 ( -0.970 -1.889 -0.954) 2.328 2.797 ( -3.165 4.719 0.283) 5.689 2.990 ( -1.043 1.211 -0.096) 1.601 3.214 ( 10.975 -4.848 -2.925) 12.350 3.265 ( 9.935 -8.396 1.954) 13.154 3.332 ( 0.429 0.303 3.711) 3.748 3.355 ( -0.169 2.002 0.772) 2.152 3.605 ( 1.011 0.630 -5.922) 6.040 3.683 ( -3.357 0.376 4.006) 5.240 3.771 ( 6.096 0.234 0.863) 6.161 3.872 ( -5.236 -1.991 -1.721) 5.860 4.002 ( 0.170 -3.572 2.474) 4.348 4.117 ( 0.930 6.777 -2.224) 7.193 4.147 ( -4.371 1.777 -0.794) 4.785 4.250 ( 0.696 -0.569 -0.712) 1.147 4.395 ( -1.434 2.072 -0.258) 2.533 4.480 ( -3.780 1.417 1.570) 4.331 4.641 ( 2.010 -2.612 -0.940) 3.428 4.696 ( -1.529 2.483 -2.315) 3.723 4.745 ( -6.749 0.987 1.192) 6.924 4.896 ( -2.199 1.311 1.845) 3.155 5.053 ( 0.622 -0.744 0.775) 1.241 5.151 ( -1.729 1.933 -0.364) 2.619 5.331 ( -0.189 0.666 0.804) 1.061 5.436 ( -1.189 -1.689 -0.413) 2.106 5.463 ( 0.455 2.860 -0.033) 2.896 5.691 ( -0.337 -0.102 -0.710) 0.792 6.159 ( 0.180 -0.736 2.985) 3.080 6.203 ( 0.855 -0.412 -3.468) 3.596 6.358 ( 5.236 0.459 5.676) 7.736 6.440 ( -1.970 -0.572 -5.193) 5.583 6.646 ( 1.147 -2.518 -5.782) 6.410 6.672 ( -2.324 1.667 6.141) 6.774 7.279 ( -2.601 0.293 -1.322) 2.932 7.295 ( -4.113 2.798 0.911) 5.057 7.648 ( 1.697 0.685 -0.836) 2.012 7.780 ( 0.767 -0.548 0.643) 1.141 8.882 ( 1.660 0.166 3.315) 3.711 8.952 ( -0.683 -0.023 -3.803) 3.864 9.151 ( -0.662 -1.217 0.693) 1.548 9.258 ( -1.050 -2.260 -0.821) 2.624 9.456 ( 1.667 1.189 -0.670) 2.154 9.543 ( -0.673 0.886 1.186) 1.627 9.615 ( -0.893 -0.230 0.571) 1.085 9.647 ( -2.260 1.406 0.058) 2.662 9.719 ( 1.411 2.271 -0.895) 2.820 9.755 ( -3.023 1.839 0.711) 3.610 10.364 ( 2.310 -0.789 -3.186) 4.014 10.455 ( -2.882 0.460 4.131) 5.058 10.599 ( -0.836 -6.182 0.676) 6.275 10.644 ( -2.040 -3.538 3.435) 5.337 10.687 ( 3.143 9.365 -2.844) 10.279 10.877 ( 1.447 -2.595 0.115) 2.973 11.124 ( 1.899 0.178 -2.617) 3.239 11.451 ( 1.527 -1.741 0.612) 2.395 12.030 ( 14.820 -8.966 -1.510) 17.387 12.265 ( 18.356 -9.810 0.858) 20.830 12.901 ( -21.010 11.965 1.252) 24.210 13.095 ( -16.572 8.958 -0.833) 18.857 15.743 ( 7.803 -1.407 2.317) 8.261 16.058 ( -0.586 0.220 -2.324) 2.407 16.667 ( -0.297 -1.781 1.590) 2.406 16.787 ( 0.619 -0.941 -2.181) 2.455 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 20.177 0.000 4.915) 20.767 0.878 ( 22.604 0.000 6.130) 23.421 1.411 ( 10.456 0.000 -7.166) 12.676 1.661 ( 43.160 0.000 -0.179) 43.160 1.903 ( 21.029 0.000 3.298) 21.286 2.058 ( 6.960 0.000 3.364) 7.731 2.115 ( 11.161 0.000 -3.410) 11.670 2.192 ( -6.295 -0.000 -1.778) 6.541 2.421 ( -2.915 -0.000 0.281) 2.929 2.457 ( 1.968 0.000 0.116) 1.972 2.900 ( 14.190 0.000 -1.155) 14.237 2.905 ( -4.109 -0.000 1.362) 4.329 3.067 ( 12.770 0.000 -1.392) 12.846 3.227 ( -6.727 -0.000 -2.859) 7.309 3.285 ( -12.144 -0.000 0.185) 12.146 3.431 ( -3.339 -0.000 2.102) 3.946 3.687 ( -5.738 -0.000 -4.164) 7.089 3.795 ( -13.768 -0.000 0.968) 13.802 3.868 ( 1.287 0.000 4.500) 4.680 4.080 ( -3.916 -0.000 -3.547) 5.284 4.281 ( -5.321 -0.000 3.511) 6.375 4.335 ( -7.588 -0.000 -0.730) 7.623 4.351 ( -3.432 -0.000 2.010) 3.977 4.360 ( 0.283 0.000 0.181) 0.336 4.586 ( -4.538 -0.000 0.871) 4.621 4.659 ( -10.594 -0.000 -2.926) 10.991 4.710 ( -0.795 -0.000 -1.649) 1.831 4.815 ( -2.433 -0.000 -5.396) 5.919 4.830 ( 4.701 0.000 1.727) 5.008 5.049 ( -4.048 -0.000 0.969) 4.162 5.274 ( -7.193 -0.000 6.112) 9.439 5.283 ( -4.043 -0.000 1.565) 4.335 5.470 ( -5.113 -0.000 -2.009) 5.494 5.500 ( -0.788 -0.000 -0.140) 0.801 5.619 ( -0.707 -0.000 -0.854) 1.109 5.630 ( 1.034 0.000 -2.947) 3.123 6.050 ( 2.402 0.000 5.082) 5.621 6.115 ( 4.008 0.000 3.721) 5.469 6.146 ( 0.835 0.000 -4.559) 4.635 6.422 ( 3.224 0.000 -0.667) 3.292 6.500 ( 2.573 0.000 -1.113) 2.803 6.796 ( -2.893 -0.000 4.071) 4.994 7.537 ( -5.519 -0.000 -1.390) 5.692 7.718 ( -0.873 -0.000 -0.008) 0.873 7.734 ( -1.297 -0.000 1.073) 1.683 7.871 ( -16.699 -0.000 -2.872) 16.944 8.752 ( 4.052 0.000 -3.155) 5.136 8.942 ( 1.216 0.000 1.965) 2.310 9.163 ( 1.292 0.000 -0.840) 1.541 9.214 ( 3.117 0.000 0.433) 3.147 9.374 ( -1.285 -0.000 -1.181) 1.745 9.525 ( -1.103 -0.000 3.426) 3.599 9.788 ( -3.640 -0.000 -2.836) 4.614 9.838 ( -1.770 -0.000 1.069) 2.068 9.880 ( -2.825 -0.000 2.950) 4.085 9.895 ( 1.637 0.000 -1.043) 1.941 10.174 ( 15.369 0.000 -4.425) 15.993 10.245 ( -3.037 -0.000 -3.274) 4.465 10.407 ( 9.503 0.000 -1.176) 9.576 10.518 ( 4.292 0.000 6.116) 7.472 10.640 ( 19.694 0.000 -0.397) 19.698 10.728 ( -0.367 -0.000 -0.144) 0.394 11.043 ( -0.267 -0.000 -2.228) 2.244 11.127 ( 2.889 0.000 -2.572) 3.868 11.211 ( 6.497 0.000 3.471) 7.366 11.397 ( 13.685 0.000 2.147) 13.852 14.145 ( -22.650 -0.000 -1.261) 22.685 14.249 ( -23.432 -0.000 1.371) 23.472 15.093 ( 14.016 0.000 5.231) 14.960 16.018 ( 10.489 0.000 -16.667) 19.693 16.614 ( -0.932 -0.000 0.819) 1.240 16.627 ( 0.222 0.000 -0.882) 0.909 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 18.192 -0.853 5.550) 19.039 1.307 ( 20.011 -5.289 5.047) 21.304 1.614 ( 11.450 -3.917 -6.811) 13.887 2.001 ( 1.268 3.517 -0.314) 3.751 2.087 ( -3.565 0.787 -3.883) 5.329 2.233 ( 5.755 -5.698 3.245) 8.725 2.346 ( -4.042 1.466 0.063) 4.300 2.406 ( 33.580 -8.287 -0.099) 34.588 2.487 ( 7.372 -0.896 -2.344) 7.788 2.553 ( 18.162 -7.022 3.554) 19.794 2.822 ( -4.769 0.273 1.236) 4.934 2.991 ( -10.441 1.189 1.280) 10.586 3.060 ( -6.544 3.600 -3.336) 8.179 3.155 ( 2.926 1.726 -2.078) 3.982 3.316 ( 9.941 1.697 0.703) 10.109 3.439 ( 5.709 -3.099 1.525) 6.673 3.556 ( -10.708 -0.157 1.400) 10.800 3.582 ( -2.618 0.477 -7.311) 7.781 3.874 ( -1.523 3.104 5.677) 6.647 3.990 ( -5.682 -0.103 -2.504) 6.210 4.122 ( -10.072 2.378 2.305) 10.603 4.183 ( -9.070 -2.822 -0.359) 9.505 4.298 ( -2.993 3.804 -1.641) 5.111 4.332 ( -1.584 3.774 -2.274) 4.682 4.506 ( -1.903 -4.804 -3.504) 6.243 4.542 ( -1.930 4.315 6.543) 8.072 4.656 ( -5.199 -1.425 1.702) 5.653 4.786 ( -0.122 -0.525 -5.172) 5.200 4.877 ( -0.153 3.874 1.609) 4.198 4.985 ( -1.795 -0.960 -0.843) 2.203 5.135 ( -7.663 4.102 5.554) 10.315 5.224 ( -4.288 -1.625 3.137) 5.556 5.388 ( -3.349 -1.399 -4.083) 5.463 5.462 ( -1.352 3.736 -0.046) 3.973 5.590 ( -0.676 2.440 -0.798) 2.655 5.647 ( -0.153 -2.818 -2.538) 3.795 6.095 ( 0.647 -0.930 6.224) 6.327 6.161 ( 1.988 -0.783 -5.563) 5.959 6.229 ( 5.967 -0.720 5.449) 8.113 6.431 ( -1.520 -1.407 -1.747) 2.710 6.575 ( 5.233 0.303 -3.309) 6.199 6.743 ( -3.802 0.420 2.440) 4.537 7.419 ( -5.670 1.467 -0.422) 5.872 7.570 ( -12.518 3.039 -1.551) 12.974 7.701 ( -0.456 2.608 -0.034) 2.647 7.727 ( 0.000 -0.946 0.346) 1.008 8.801 ( 1.749 -1.862 -2.050) 3.276 8.963 ( -0.053 -0.237 1.233) 1.257 9.155 ( -2.594 -0.999 0.599) 2.844 9.173 ( -4.754 -0.948 -2.095) 5.281 9.425 ( 4.854 0.820 2.079) 5.344 9.543 ( 1.114 -1.876 1.187) 2.484 9.689 ( -4.060 1.606 -2.763) 5.167 9.776 ( -7.802 1.719 3.951) 8.912 9.821 ( -1.570 0.456 0.520) 1.715 9.898 ( -1.460 2.072 -1.232) 2.818 10.234 ( -0.189 -3.922 -1.120) 4.083 10.296 ( 0.800 -5.576 -0.031) 5.634 10.531 ( -4.444 -0.994 6.148) 7.651 10.647 ( 13.051 -2.793 -7.466) 15.293 10.779 ( 7.997 8.202 4.595) 12.343 10.914 ( 10.983 7.871 2.054) 13.667 11.075 ( 4.714 -0.359 -7.186) 8.601 11.228 ( 7.604 -6.719 -3.817) 10.842 11.411 ( 11.027 -7.367 3.296) 13.664 11.679 ( 15.911 -3.283 3.064) 16.533 13.659 ( -28.141 4.678 0.195) 28.527 13.780 ( -26.124 4.864 0.007) 26.573 15.441 ( 21.176 -0.067 7.527) 22.474 16.122 ( 7.195 3.317 -11.911) 14.305 16.590 ( -1.871 -1.115 1.220) 2.497 16.653 ( -0.275 -5.184 -1.966) 5.551 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 12.797 1.805 5.445) 14.024 1.696 ( 15.729 -4.839 3.261) 16.776 1.812 ( 8.210 -1.657 -4.385) 9.454 1.965 ( -1.696 1.958 0.270) 2.604 2.030 ( -0.623 -0.020 -5.406) 5.441 2.257 ( -3.936 0.546 0.728) 4.040 2.384 ( 4.508 -3.552 2.633) 6.315 2.556 ( 3.177 -0.676 -1.412) 3.542 2.718 ( -3.704 -1.331 0.331) 3.949 2.752 ( -12.210 1.873 1.188) 12.409 2.871 ( -1.401 0.702 -4.048) 4.341 2.916 ( 4.434 -8.037 2.639) 9.551 3.033 ( 12.003 -6.920 3.766) 14.357 3.164 ( 6.936 -0.553 -3.243) 7.677 3.326 ( -6.897 -0.965 3.576) 7.829 3.423 ( 1.368 3.455 -4.172) 5.587 3.604 ( 7.013 -0.054 -4.252) 8.202 3.696 ( 6.590 -4.203 -1.150) 7.900 3.760 ( -5.074 5.001 3.734) 8.044 3.871 ( -6.245 0.349 -0.582) 6.282 3.951 ( -8.597 -1.395 3.536) 9.400 4.105 ( -2.001 -3.264 -1.540) 4.127 4.193 ( -1.314 0.617 -4.838) 5.051 4.344 ( 6.201 6.606 0.542) 9.077 4.463 ( -3.678 3.697 1.548) 5.440 4.548 ( -1.079 -0.603 1.532) 1.969 4.602 ( 2.001 0.639 1.010) 2.330 4.764 ( -2.852 1.458 -1.084) 3.381 4.769 ( -3.027 5.326 -1.473) 6.300 4.951 ( -3.313 3.298 2.590) 5.344 5.026 ( -2.260 -1.465 2.064) 3.393 5.176 ( -3.543 -0.657 3.017) 4.700 5.354 ( -1.566 -2.219 -3.446) 4.388 5.398 ( -0.971 3.714 -0.415) 3.861 5.549 ( 0.012 3.538 -0.851) 3.639 5.656 ( -1.429 -3.004 -1.573) 3.680 6.133 ( 0.070 -1.412 6.731) 6.878 6.187 ( 1.694 -1.016 -5.823) 6.148 6.355 ( 4.707 -0.447 7.201) 8.614 6.397 ( -3.791 -3.032 -3.201) 5.815 6.631 ( 2.304 0.954 -5.921) 6.425 6.685 ( -2.190 -0.374 2.899) 3.652 7.324 ( -2.212 3.525 -0.779) 4.234 7.370 ( -4.981 3.361 0.212) 6.012 7.673 ( -0.349 1.684 -0.311) 1.747 7.751 ( 0.356 -2.056 0.145) 2.092 8.843 ( 0.373 -3.233 -1.506) 3.586 8.949 ( -1.707 -0.114 0.763) 1.873 9.099 ( -3.033 -2.683 -0.885) 4.145 9.148 ( -3.218 -5.840 0.893) 6.728 9.492 ( 3.579 1.790 0.133) 4.004 9.588 ( 0.018 -0.034 0.858) 0.858 9.605 ( -2.642 1.210 0.395) 2.932 9.641 ( -5.223 -1.065 0.576) 5.362 9.763 ( -3.387 1.856 1.116) 4.020 9.807 ( -5.464 1.682 -1.554) 5.925 10.269 ( 0.481 -3.396 -3.009) 4.563 10.372 ( -1.310 -5.529 3.697) 6.779 10.498 ( -1.624 -3.339 5.128) 6.331 10.765 ( 3.819 4.653 -1.822) 6.289 10.880 ( 9.218 6.054 4.290) 11.833 10.945 ( 8.071 14.593 -3.264) 16.992 11.119 ( 1.885 -0.672 -5.950) 6.277 11.422 ( 7.590 -1.787 -1.676) 7.976 11.766 ( 14.429 -15.054 -0.415) 20.856 12.050 ( 16.657 -9.785 2.913) 19.537 13.105 ( -26.678 7.123 2.941) 27.769 13.260 ( -24.293 6.336 -2.266) 25.208 15.793 ( 16.373 5.046 5.484) 17.990 16.135 ( 3.824 6.493 -6.225) 9.775 16.590 ( -1.777 -4.825 2.132) 5.566 16.702 ( -0.602 -6.675 -3.307) 7.473 ======================= Grid point 13 (9/95) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 3.276 7.292 2.379) 8.341 1.870 ( 0.250 2.696 -0.149) 2.712 1.883 ( -1.153 2.915 1.439) 3.449 1.950 ( 3.248 0.855 -0.115) 3.361 2.042 ( 2.846 -0.933 -3.194) 4.379 2.212 ( -1.493 -1.282 0.109) 1.971 2.463 ( -1.787 -1.730 1.991) 3.186 2.580 ( -0.843 0.598 0.775) 1.292 2.637 ( 3.734 -2.725 0.383) 4.639 2.698 ( -0.595 -4.254 -2.764) 5.108 2.806 ( -0.378 2.659 1.028) 2.875 2.935 ( -3.077 -3.510 0.580) 4.704 3.166 ( -7.873 -6.597 4.930) 11.393 3.284 ( 3.472 -3.753 -3.277) 6.073 3.330 ( -0.168 0.083 -1.223) 1.237 3.426 ( 0.069 3.026 -6.096) 6.806 3.566 ( -3.075 -2.148 0.989) 3.879 3.688 ( -7.036 -5.134 -0.824) 8.749 3.747 ( 2.857 4.218 -0.061) 5.095 3.889 ( -2.171 -3.258 4.724) 6.136 3.945 ( 9.929 -1.323 0.587) 10.034 4.102 ( -2.417 3.052 -1.144) 4.058 4.159 ( -2.827 -1.791 -2.717) 4.311 4.295 ( 0.098 5.607 -2.171) 6.013 4.427 ( 2.072 4.782 2.123) 5.627 4.548 ( 4.624 6.495 0.822) 8.015 4.669 ( -0.563 -0.063 2.174) 2.246 4.685 ( 1.074 0.642 -3.301) 3.530 4.726 ( 3.956 0.735 2.777) 4.889 4.898 ( 0.660 1.520 0.626) 1.771 5.034 ( -0.638 -2.830 0.471) 2.939 5.138 ( -1.674 0.034 2.508) 3.015 5.349 ( -1.575 -3.580 -2.949) 4.898 5.355 ( -0.250 1.874 -1.099) 2.187 5.519 ( 0.815 3.139 -1.105) 3.426 5.658 ( -1.426 -3.201 0.141) 3.507 6.157 ( -0.701 -0.723 4.161) 4.281 6.204 ( 0.670 -0.421 -2.229) 2.365 6.324 ( -5.745 -2.806 -3.141) 7.123 6.440 ( 0.816 -0.002 5.842) 5.899 6.626 ( 0.799 -2.115 -3.422) 4.102 6.697 ( 1.601 1.420 0.657) 2.239 7.276 ( 1.912 1.763 -1.863) 3.199 7.330 ( 3.132 4.246 1.542) 5.497 7.641 ( -2.722 -0.165 0.981) 2.898 7.766 ( -1.173 -2.081 -1.000) 2.590 8.848 ( -2.286 -2.409 -4.103) 5.278 8.938 ( -0.889 -1.431 4.086) 4.419 9.111 ( 0.076 -4.509 -1.587) 4.781 9.186 ( -0.716 -7.328 1.698) 7.556 9.472 ( -1.840 1.859 0.459) 2.655 9.564 ( 0.627 1.809 0.371) 1.950 9.601 ( 0.290 -0.830 0.014) 0.879 9.621 ( -1.311 -1.122 -0.518) 1.802 9.686 ( -4.128 -0.459 1.832) 4.539 9.725 ( -1.464 -2.349 -2.235) 3.558 10.277 ( -3.643 -3.961 0.179) 5.385 10.405 ( 1.310 -2.838 0.545) 3.173 10.558 ( 1.181 -3.530 3.032) 4.801 10.755 ( 1.233 5.577 1.042) 5.806 10.889 ( 7.866 16.592 -3.963) 18.785 10.973 ( 5.618 7.038 0.783) 9.039 11.117 ( -1.448 -0.454 -3.196) 3.537 11.509 ( 4.212 4.331 0.751) 6.088 12.066 ( -2.372 -6.793 -0.633) 7.223 12.354 ( -3.735 -4.188 0.596) 5.643 12.716 ( -3.272 -2.335 4.004) 5.674 12.941 ( -0.731 -5.014 -2.623) 5.706 15.868 ( 0.020 10.475 0.794) 10.505 16.129 ( 4.661 6.680 -1.217) 8.236 16.642 ( 0.937 -4.443 0.776) 4.607 16.736 ( -1.986 -5.617 -0.850) 6.018 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -6.449 12.307 -1.027) 13.932 1.682 ( -12.055 10.326 0.541) 15.882 1.811 ( -3.418 3.709 0.821) 5.111 1.991 ( 1.930 -0.328 3.195) 3.747 2.076 ( 2.309 3.069 -0.909) 3.947 2.230 ( 0.765 -3.319 -0.687) 3.474 2.410 ( -2.397 1.872 -0.591) 3.098 2.596 ( 1.687 2.183 1.823) 3.307 2.757 ( 1.133 -2.457 -1.597) 3.141 2.797 ( -0.100 -5.022 1.164) 5.156 2.833 ( 8.975 -4.941 -0.164) 10.247 2.926 ( -3.725 -3.463 1.798) 5.395 3.023 ( -14.346 7.070 0.144) 15.994 3.165 ( -10.894 6.803 -1.638) 12.947 3.233 ( -3.180 4.564 -0.857) 5.629 3.389 ( 3.587 -4.568 -7.724) 9.664 3.615 ( -1.685 2.571 4.646) 5.571 3.652 ( -0.602 -2.762 -0.677) 2.907 3.796 ( 2.548 -0.873 2.082) 3.404 3.882 ( -1.222 -2.297 -0.933) 2.764 3.965 ( 2.039 -3.368 0.557) 3.976 4.123 ( -1.509 -2.679 -2.590) 4.020 4.150 ( 2.658 -0.200 2.695) 3.790 4.340 ( 5.291 2.858 -1.206) 6.133 4.404 ( 1.601 -1.623 1.188) 2.571 4.527 ( -0.003 2.021 -1.109) 2.306 4.687 ( -0.205 -2.292 2.661) 3.518 4.742 ( 7.621 3.564 2.139) 8.681 4.873 ( 5.695 -3.661 2.459) 7.203 4.931 ( 5.068 1.707 -4.851) 7.220 5.030 ( -1.459 -0.196 -1.295) 1.961 5.174 ( 3.616 -3.509 3.572) 6.176 5.339 ( 0.072 1.031 -2.580) 2.780 5.360 ( -1.472 -6.340 -1.633) 6.710 5.508 ( 1.359 2.084 -1.323) 2.818 5.675 ( -0.705 -3.211 1.223) 3.507 6.147 ( -1.037 0.369 -1.189) 1.620 6.203 ( -1.120 0.227 2.786) 3.012 6.237 ( -5.011 -0.717 -1.460) 5.268 6.430 ( -2.813 -0.691 2.090) 3.572 6.664 ( -0.860 0.225 3.517) 3.628 6.712 ( 4.020 0.785 -4.464) 6.058 7.354 ( 6.232 -1.399 -1.361) 6.531 7.391 ( 6.589 0.207 1.673) 6.801 7.595 ( -2.703 -0.887 2.186) 3.588 7.749 ( -1.900 -1.367 -1.875) 2.999 8.812 ( -2.401 -1.511 -2.999) 4.128 8.956 ( -0.439 -1.752 3.518) 3.955 9.147 ( 0.092 -1.930 -2.426) 3.102 9.245 ( -1.600 -4.079 3.657) 5.707 9.447 ( 1.194 1.404 -1.010) 2.102 9.552 ( 0.303 -1.026 -1.717) 2.023 9.606 ( -1.538 -1.199 0.592) 2.038 9.658 ( -0.766 -5.708 -0.536) 5.784 9.680 ( 4.482 -2.080 2.240) 5.425 9.763 ( 1.873 -3.258 -1.950) 4.234 10.248 ( -4.360 -4.769 1.301) 6.591 10.473 ( 3.450 -1.023 -0.758) 3.677 10.595 ( -1.013 -1.895 -0.815) 2.298 10.690 ( -2.210 5.895 1.476) 6.466 10.863 ( 8.190 14.640 -4.134) 17.277 10.951 ( 0.625 9.008 0.081) 9.030 11.065 ( -3.984 -0.331 1.331) 4.213 11.497 ( 1.673 8.484 1.317) 8.747 11.819 ( -16.759 7.266 2.916) 18.498 11.979 ( -22.578 8.364 -2.751) 24.234 13.109 ( 19.645 -20.434 0.745) 28.356 13.280 ( 17.996 -17.187 -0.341) 24.888 15.655 ( -8.809 12.870 -1.440) 15.662 16.134 ( 2.758 5.971 1.841) 6.830 16.667 ( -0.937 -0.340 -2.402) 2.600 16.753 ( -1.865 -3.516 2.803) 4.869 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -11.487 14.826 -2.097) 18.872 1.310 ( -14.981 14.596 1.259) 20.954 1.665 ( -7.010 6.788 -1.065) 9.816 2.024 ( 1.094 4.423 5.844) 7.410 2.087 ( 2.253 0.745 1.404) 2.757 2.291 ( 1.710 -3.879 -1.758) 4.590 2.357 ( -1.252 3.415 -1.373) 3.887 2.442 ( -20.928 23.078 -2.959) 31.294 2.495 ( -11.365 12.957 1.858) 17.335 2.696 ( -6.595 13.350 -1.064) 14.928 2.773 ( -3.321 -1.861 -0.144) 3.809 2.903 ( -4.608 0.754 -1.102) 4.797 2.963 ( 2.903 -8.127 -0.671) 8.656 3.131 ( 10.810 -8.103 0.372) 13.515 3.260 ( -0.792 2.192 1.377) 2.707 3.468 ( -6.621 5.091 2.044) 8.598 3.516 ( 4.094 -8.820 -6.382) 11.631 3.620 ( 2.668 -1.180 5.455) 6.186 3.905 ( 4.846 -0.792 0.514) 4.937 4.031 ( 8.081 -5.879 -2.120) 10.215 4.083 ( 4.746 -6.840 -3.051) 8.866 4.146 ( -2.235 -3.796 2.456) 5.043 4.201 ( 2.586 -7.237 0.653) 7.713 4.354 ( 1.664 -0.265 0.264) 1.706 4.494 ( 3.593 0.352 -3.166) 4.802 4.568 ( 2.107 -4.389 2.838) 5.635 4.696 ( -3.261 -3.215 3.606) 5.829 4.840 ( 6.887 4.847 1.683) 8.589 4.935 ( 1.030 -1.582 0.085) 1.889 4.996 ( 2.533 0.344 -4.844) 5.477 5.086 ( 6.176 -4.166 1.259) 7.555 5.306 ( 2.750 -0.461 -2.055) 3.463 5.332 ( 2.243 -4.221 1.375) 4.973 5.408 ( -0.987 -7.440 -0.766) 7.544 5.517 ( 1.533 0.703 -0.687) 1.821 5.694 ( -0.918 -2.023 0.154) 2.227 6.104 ( -1.190 2.145 -5.476) 6.000 6.150 ( -4.176 0.356 -0.136) 4.194 6.195 ( -0.898 1.042 7.271) 7.400 6.380 ( -3.870 -0.738 -0.689) 3.999 6.617 ( -1.747 3.681 1.466) 4.330 6.771 ( 2.790 -0.592 -2.792) 3.991 7.462 ( 4.492 -1.617 1.053) 4.889 7.570 ( 6.450 -3.878 2.293) 7.867 7.628 ( 5.202 -6.461 0.315) 8.301 7.728 ( -0.985 -1.454 -1.988) 2.653 8.778 ( -1.668 0.149 -0.936) 1.918 8.976 ( 0.451 -0.609 1.778) 1.933 9.130 ( -2.283 0.219 -0.723) 2.405 9.239 ( -1.240 -0.506 1.206) 1.802 9.469 ( 3.585 3.877 -2.630) 5.899 9.560 ( -2.517 0.396 1.575) 2.996 9.596 ( -1.332 -6.921 0.502) 7.065 9.726 ( 1.998 -5.221 -1.109) 5.699 9.821 ( 4.146 -3.897 0.399) 5.704 9.849 ( 5.702 -3.615 -1.101) 6.840 10.238 ( -1.855 -3.807 0.510) 4.266 10.469 ( -3.537 4.407 -2.545) 6.198 10.567 ( -5.172 7.132 3.659) 9.540 10.610 ( 1.804 -3.890 -0.863) 4.374 10.778 ( -9.629 12.539 1.058) 15.845 10.828 ( 2.991 10.805 -1.902) 11.371 11.021 ( -0.339 0.658 0.611) 0.960 11.406 ( -0.311 12.128 -0.280) 12.135 11.483 ( -14.928 8.373 -2.959) 17.370 11.511 ( -15.001 7.904 3.408) 17.296 13.672 ( 17.867 -21.944 0.597) 28.305 13.791 ( 17.218 -19.705 -0.215) 26.169 15.339 ( -9.352 13.793 -1.888) 16.771 16.107 ( -0.370 5.860 4.450) 7.367 16.628 ( -2.273 0.267 -0.791) 2.421 16.742 ( -1.789 0.204 1.075) 2.097 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -11.248 16.692 -1.782) 20.207 0.881 ( -14.190 19.003 2.432) 23.841 1.438 ( -8.440 8.059 -2.448) 11.924 1.684 ( -19.804 38.826 -2.907) 43.682 1.916 ( -5.140 22.951 7.492) 24.684 2.106 ( -3.409 9.538 0.986) 10.177 2.176 ( 0.577 0.772 -3.981) 4.096 2.360 ( -0.818 2.967 -0.048) 3.078 2.367 ( 1.099 -4.409 -1.284) 4.722 2.426 ( -7.266 6.245 0.210) 9.584 2.716 ( -0.079 4.097 1.042) 4.228 2.922 ( 0.362 -2.914 0.105) 2.939 3.024 ( -8.414 7.184 -0.309) 11.068 3.137 ( 2.379 -8.769 0.190) 9.088 3.389 ( 8.793 -6.534 0.732) 10.980 3.454 ( 0.864 -1.401 0.295) 1.672 3.642 ( 0.060 -9.843 -3.268) 10.372 3.770 ( 7.220 -3.086 3.740) 8.697 3.970 ( 3.349 -0.892 -0.371) 3.485 4.109 ( -2.652 -1.651 1.640) 3.528 4.199 ( 5.692 -3.573 -2.380) 7.129 4.278 ( 7.049 -8.571 -4.736) 12.065 4.327 ( 0.936 -4.665 -0.136) 4.760 4.430 ( 0.539 -10.284 3.855) 10.996 4.534 ( 3.246 2.851 -2.153) 4.827 4.622 ( -1.375 -3.253 0.729) 3.606 4.664 ( -4.783 -4.585 3.319) 7.410 4.891 ( 4.220 5.041 0.497) 6.593 4.992 ( 4.203 1.819 3.877) 6.000 5.056 ( 3.516 -3.563 -3.708) 6.230 5.220 ( 1.927 -5.634 1.930) 6.259 5.294 ( -0.941 -1.877 -5.412) 5.805 5.456 ( 1.889 -5.274 3.627) 6.673 5.484 ( 2.700 -5.609 -0.323) 6.233 5.542 ( 1.229 -1.265 -0.355) 1.799 5.669 ( -3.331 -0.431 -1.722) 3.775 6.044 ( -0.585 3.225 -4.581) 5.633 6.077 ( -2.723 1.482 1.566) 3.473 6.203 ( 0.658 0.987 5.760) 5.881 6.309 ( -3.886 -0.436 -2.817) 4.819 6.558 ( -0.822 3.377 -0.081) 3.476 6.800 ( 0.940 -0.154 -1.642) 1.898 7.560 ( 4.395 -1.623 1.221) 4.842 7.654 ( 1.231 -0.443 1.223) 1.791 7.756 ( 1.714 -3.422 -0.250) 3.835 7.881 ( 7.542 -13.826 -0.275) 15.752 8.732 ( -1.964 2.998 -0.123) 3.586 8.995 ( 1.572 1.440 1.031) 2.368 9.075 ( -2.656 0.933 -0.053) 2.816 9.223 ( -0.738 1.483 -0.791) 1.836 9.441 ( -3.623 0.388 2.309) 4.314 9.547 ( 4.000 2.509 -1.788) 5.049 9.672 ( 4.127 -3.670 -1.019) 5.616 9.815 ( 1.785 -5.855 0.507) 6.142 9.900 ( 0.259 -2.437 -0.179) 2.458 9.958 ( 0.161 -4.133 -1.558) 4.420 10.247 ( -3.778 10.569 0.518) 11.236 10.284 ( -8.007 13.316 -0.891) 15.563 10.338 ( -4.857 3.139 0.776) 5.835 10.455 ( -7.234 8.199 1.125) 10.992 10.671 ( -3.062 4.328 1.663) 5.556 10.750 ( 2.518 1.856 -0.394) 3.153 11.024 ( -0.734 -0.654 -0.195) 1.002 11.158 ( -7.837 3.332 -2.924) 9.003 11.268 ( -2.295 9.806 1.072) 10.128 11.317 ( -2.649 9.810 2.862) 10.557 14.152 ( 11.121 -19.609 0.797) 22.557 14.254 ( 11.438 -19.943 -0.494) 22.996 15.077 ( -4.759 11.081 -1.021) 12.103 16.018 ( -3.704 7.077 5.733) 9.832 16.595 ( -0.996 -0.097 0.037) 1.001 16.706 ( -0.831 2.095 -0.028) 2.254 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 19.115 -0.000) 19.115 0.499 ( 0.000 24.049 -0.000) 24.049 1.013 ( 0.000 48.342 -0.000) 48.342 1.256 ( 0.000 7.190 -0.000) 7.190 1.565 ( 0.000 27.594 -0.000) 27.594 2.000 ( 0.000 9.566 -0.000) 9.566 2.138 ( 0.000 6.452 -0.000) 6.452 2.318 ( -0.000 -5.017 0.000) 5.017 2.399 ( -0.000 -2.312 0.000) 2.312 2.418 ( -0.000 -2.539 0.000) 2.539 2.672 ( 0.000 6.932 -0.000) 6.932 2.834 ( 0.000 4.252 -0.000) 4.252 2.973 ( -0.000 -1.618 0.000) 1.618 3.270 ( -0.000 -9.654 0.000) 9.654 3.468 ( -0.000 -0.842 0.000) 0.842 3.548 ( -0.000 -4.522 0.000) 4.522 3.707 ( -0.000 -7.059 0.000) 7.059 3.854 ( 0.000 1.026 -0.000) 1.026 4.047 ( -0.000 -3.890 0.000) 3.890 4.109 ( -0.000 -3.538 0.000) 3.538 4.320 ( -0.000 -1.532 0.000) 1.532 4.325 ( -0.000 -3.745 0.000) 3.745 4.445 ( -0.000 -6.239 0.000) 6.239 4.500 ( -0.000 -2.920 0.000) 2.920 4.556 ( -0.000 -4.191 0.000) 4.191 4.613 ( -0.000 -1.991 0.000) 1.991 4.686 ( -0.000 -4.670 0.000) 4.670 4.880 ( 0.000 4.789 -0.000) 4.789 5.011 ( 0.000 4.775 -0.000) 4.775 5.124 ( -0.000 -1.764 0.000) 1.764 5.284 ( -0.000 -4.797 0.000) 4.797 5.318 ( -0.000 -6.238 0.000) 6.238 5.546 ( -0.000 -6.784 0.000) 6.784 5.561 ( 0.000 0.714 -0.000) 0.714 5.577 ( -0.000 -0.706 0.000) 0.706 5.603 ( -0.000 -2.808 0.000) 2.808 5.994 ( 0.000 3.614 -0.000) 3.614 6.048 ( 0.000 0.330 -0.000) 0.330 6.211 ( 0.000 2.664 -0.000) 2.664 6.266 ( -0.000 -1.598 0.000) 1.598 6.522 ( 0.000 2.440 -0.000) 2.440 6.803 ( 0.000 0.391 -0.000) 0.391 7.625 ( -0.000 -1.218 0.000) 1.218 7.669 ( 0.000 0.011 -0.000) 0.011 7.792 ( 0.000 0.801 -0.000) 0.801 8.111 ( -0.000 -15.625 0.000) 15.625 8.649 ( 0.000 7.424 -0.000) 7.424 8.997 ( 0.000 2.550 -0.000) 2.550 9.038 ( -0.000 -0.441 0.000) 0.441 9.177 ( 0.000 4.509 -0.000) 4.509 9.403 ( -0.000 -3.511 0.000) 3.511 9.627 ( 0.000 4.682 -0.000) 4.682 9.779 ( 0.000 17.078 -0.000) 17.078 9.794 ( -0.000 -4.146 0.000) 4.146 9.879 ( -0.000 -2.631 0.000) 2.631 9.910 ( -0.000 -5.271 0.000) 5.271 9.985 ( 0.000 5.762 -0.000) 5.762 10.250 ( 0.000 2.668 -0.000) 2.668 10.256 ( 0.000 3.065 -0.000) 3.065 10.373 ( 0.000 2.559 -0.000) 2.559 10.509 ( 0.000 10.443 -0.000) 10.443 10.829 ( -0.000 -3.614 0.000) 3.614 11.008 ( -0.000 -2.431 0.000) 2.431 11.097 ( 0.000 0.802 -0.000) 0.802 11.154 ( 0.000 7.036 -0.000) 7.036 11.208 ( 0.000 8.213 -0.000) 8.213 14.433 ( -0.000 -14.292 0.000) 14.292 14.557 ( -0.000 -16.963 0.000) 16.963 14.944 ( 0.000 6.738 -0.000) 6.738 15.904 ( 0.000 7.420 -0.000) 7.420 16.592 ( -0.000 -0.634 0.000) 0.634 16.674 ( 0.000 2.779 -0.000) 2.779 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 16.336 0.000 6.057) 17.423 1.632 ( 17.444 0.000 5.233) 18.212 1.787 ( 11.643 0.000 -6.689) 13.427 1.998 ( -2.637 -0.000 1.638) 3.105 2.033 ( -1.250 -0.000 -6.731) 6.846 2.258 ( -4.383 -0.000 2.137) 4.876 2.342 ( 5.772 0.000 0.183) 5.775 2.550 ( 3.029 0.000 -1.121) 3.230 2.713 ( -3.545 -0.000 -0.168) 3.549 2.751 ( -9.084 -0.000 4.167) 9.994 2.812 ( 3.651 0.000 2.304) 4.317 2.843 ( 10.255 0.000 -4.901) 11.366 2.999 ( 2.264 0.000 3.361) 4.052 3.171 ( 0.929 0.000 -4.082) 4.186 3.311 ( -7.686 -0.000 3.274) 8.354 3.465 ( -2.205 -0.000 -4.877) 5.352 3.611 ( 10.780 0.000 -1.447) 10.877 3.636 ( 8.408 0.000 -2.631) 8.810 3.827 ( -9.321 -0.000 -1.606) 9.459 3.878 ( -3.384 -0.000 6.824) 7.617 3.941 ( -11.566 -0.000 1.438) 11.655 4.050 ( -0.962 -0.000 -1.126) 1.481 4.202 ( -2.480 -0.000 -6.819) 7.256 4.447 ( 7.070 0.000 -0.492) 7.087 4.482 ( 3.257 0.000 -0.080) 3.258 4.526 ( -6.932 -0.000 3.438) 7.737 4.596 ( 1.351 0.000 7.601) 7.720 4.782 ( 0.723 0.000 -4.888) 4.941 4.908 ( -3.436 -0.000 -2.239) 4.101 4.912 ( -1.234 -0.000 -1.019) 1.600 5.062 ( -6.060 -0.000 8.183) 10.183 5.128 ( -5.147 -0.000 2.477) 5.712 5.329 ( -0.639 -0.000 -5.493) 5.531 5.466 ( -1.190 -0.000 1.297) 1.760 5.588 ( -0.707 -0.000 -0.414) 0.819 5.606 ( -1.535 -0.000 -3.770) 4.071 6.116 ( 0.354 0.000 7.054) 7.063 6.173 ( 1.609 0.000 -5.302) 5.541 6.350 ( 5.472 0.000 7.377) 9.185 6.358 ( -4.638 -0.000 -2.504) 5.271 6.654 ( 4.384 0.000 -4.872) 6.554 6.671 ( -4.828 -0.000 0.471) 4.851 7.375 ( 0.178 0.000 0.752) 0.773 7.403 ( -6.554 -0.000 -0.967) 6.625 7.708 ( -1.142 -0.000 -0.218) 1.163 7.710 ( -1.285 -0.000 0.009) 1.285 8.800 ( 0.574 0.000 -2.083) 2.161 8.948 ( -2.316 -0.000 1.393) 2.703 9.069 ( -4.565 -0.000 -1.180) 4.715 9.082 ( -4.110 -0.000 1.210) 4.285 9.524 ( 3.716 0.000 2.571) 4.519 9.556 ( 1.544 0.000 -1.746) 2.331 9.617 ( -2.857 -0.000 -2.329) 3.686 9.644 ( -8.554 -0.000 2.565) 8.930 9.783 ( -4.129 -0.000 1.857) 4.527 9.819 ( -7.308 -0.000 -1.785) 7.523 10.254 ( 0.601 0.000 -2.972) 3.032 10.304 ( 5.597 0.000 4.620) 7.258 10.458 ( -4.032 -0.000 7.498) 8.513 10.784 ( 6.126 0.000 -8.692) 10.634 11.020 ( 8.222 0.000 9.690) 12.708 11.062 ( 3.360 0.000 2.335) 4.092 11.260 ( 8.717 0.000 -12.638) 15.352 11.299 ( 15.175 0.000 -8.346) 17.319 11.568 ( 10.042 0.000 4.459) 10.988 11.933 ( 13.614 0.000 4.647) 14.386 13.178 ( -27.892 -0.000 3.285) 28.085 13.328 ( -26.407 -0.000 -2.540) 26.529 15.866 ( 21.884 0.000 7.312) 23.073 16.236 ( 6.116 0.000 -9.083) 10.950 16.530 ( -4.191 -0.000 0.746) 4.257 16.594 ( -1.978 -0.000 -1.561) 2.520 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 9.831 5.863 5.383) 12.649 1.912 ( 8.516 -0.005 3.376) 9.161 1.928 ( 0.923 2.592 -0.631) 2.823 1.963 ( 4.339 -0.249 -1.451) 4.582 2.008 ( 1.679 -1.573 -6.616) 7.004 2.189 ( -3.615 -0.723 1.352) 3.927 2.430 ( 2.283 -0.803 0.708) 2.521 2.565 ( -6.216 -2.020 2.137) 6.876 2.601 ( 0.961 -0.534 -1.113) 1.564 2.650 ( -2.442 -0.195 0.270) 2.465 2.840 ( -0.852 0.333 -2.785) 2.931 2.863 ( -2.304 -2.844 1.411) 3.923 3.034 ( -5.676 -3.938 5.732) 8.976 3.220 ( 3.997 -1.833 -4.738) 6.464 3.338 ( 4.260 0.628 1.736) 4.643 3.407 ( -0.398 -2.310 -3.162) 3.936 3.550 ( -9.613 -0.294 -5.087) 10.880 3.597 ( -9.274 -2.093 -2.949) 9.954 3.838 ( -3.863 2.791 7.182) 8.619 3.880 ( 6.432 2.151 1.781) 7.012 3.931 ( 11.960 -0.926 0.495) 12.006 4.073 ( 1.226 -3.173 -2.372) 4.147 4.159 ( -1.827 0.691 -3.960) 4.416 4.383 ( -7.283 2.170 0.108) 7.600 4.546 ( 6.633 4.958 1.843) 8.484 4.628 ( 8.282 -0.902 1.405) 8.449 4.662 ( 3.744 -1.022 3.796) 5.429 4.746 ( -3.076 7.366 -2.453) 8.351 4.776 ( -1.377 3.121 -2.758) 4.387 4.918 ( -2.216 -4.072 -1.680) 4.931 4.990 ( -1.262 1.860 5.655) 6.085 5.092 ( -2.855 -3.808 2.828) 5.536 5.308 ( -0.644 -0.121 -4.494) 4.541 5.427 ( -0.850 3.655 0.514) 3.787 5.566 ( -0.792 1.224 -0.640) 1.592 5.578 ( -2.758 -3.774 -2.145) 5.143 6.147 ( 0.017 0.084 6.584) 6.585 6.181 ( -0.036 -1.599 -2.154) 2.683 6.272 ( -4.237 -1.501 -4.080) 6.070 6.442 ( 1.372 0.093 6.681) 6.821 6.599 ( -2.190 -0.574 -0.116) 2.267 6.706 ( 3.044 -0.082 -4.352) 5.312 7.336 ( 0.744 2.696 -0.778) 2.903 7.420 ( 5.379 3.346 1.088) 6.427 7.642 ( -4.279 0.871 0.245) 4.373 7.698 ( -3.068 -4.005 -0.962) 5.136 8.808 ( -0.462 -1.153 -1.252) 1.763 8.906 ( -2.421 -1.169 0.693) 2.777 9.027 ( -0.961 -2.449 -1.033) 2.827 9.052 ( -1.514 -4.226 1.200) 4.647 9.503 ( -4.730 0.946 2.338) 5.360 9.576 ( 1.271 -0.936 -2.477) 2.938 9.589 ( 0.657 -0.287 0.166) 0.736 9.601 ( 0.469 -0.446 0.514) 0.826 9.679 ( -7.065 -0.685 -1.414) 7.237 9.689 ( -5.764 -0.159 1.372) 5.927 10.262 ( -0.564 2.075 -0.731) 2.271 10.344 ( -0.436 -3.729 1.297) 3.973 10.523 ( 5.954 -0.097 8.137) 10.083 10.812 ( 0.199 0.939 -3.902) 4.018 11.084 ( 1.320 1.396 0.471) 1.978 11.118 ( 0.790 1.983 1.612) 2.675 11.281 ( 12.141 20.042 -8.007) 24.762 11.609 ( 15.074 1.174 -4.654) 15.819 11.792 ( 5.383 -14.373 0.555) 15.358 12.179 ( 5.266 -8.150 5.727) 11.267 12.753 ( -18.389 2.342 6.991) 19.812 12.893 ( -17.009 -0.531 -6.271) 18.136 16.127 ( 7.823 13.023 3.261) 15.538 16.284 ( 6.938 5.800 -3.539) 9.711 16.495 ( -2.225 -7.961 2.069) 8.521 16.590 ( -2.306 -7.234 -2.928) 8.137 ======================= Grid point 22 (16/95) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -2.573 12.732 1.541) 13.080 1.863 ( -3.729 3.192 3.499) 6.028 1.887 ( -4.341 7.470 0.236) 8.643 1.988 ( 1.225 0.275 -2.104) 2.450 2.122 ( 4.536 0.303 -2.742) 5.309 2.168 ( -0.501 -2.587 2.244) 3.461 2.438 ( 0.224 1.023 0.178) 1.062 2.588 ( 1.781 -3.276 0.692) 3.793 2.642 ( 0.907 -4.217 -1.215) 4.481 2.686 ( 5.378 -5.899 1.480) 8.118 2.816 ( -4.513 0.411 2.254) 5.061 2.857 ( 1.745 -1.438 -0.621) 2.345 3.020 ( -1.732 -3.830 2.999) 5.164 3.266 ( -5.460 3.575 2.969) 7.170 3.285 ( -0.046 -2.524 -6.779) 7.233 3.388 ( -4.369 3.172 -7.836) 9.516 3.501 ( 2.502 -7.072 -4.660) 8.831 3.598 ( 4.511 -7.995 2.848) 9.612 3.739 ( -4.587 2.967 5.653) 7.861 3.939 ( -0.154 3.180 3.587) 4.796 4.024 ( -2.756 6.410 -1.579) 7.154 4.079 ( -2.067 -2.130 -2.381) 3.805 4.168 ( 3.735 1.505 1.848) 4.431 4.285 ( 2.047 -3.287 -3.360) 5.127 4.527 ( -1.175 8.361 1.327) 8.546 4.619 ( -2.926 4.074 -0.081) 5.017 4.667 ( -1.503 2.103 -1.679) 3.082 4.777 ( 6.096 -1.274 0.491) 6.247 4.817 ( 4.679 -0.565 4.406) 6.452 4.943 ( 2.315 -2.808 -1.606) 3.978 5.016 ( 2.932 0.137 -0.399) 2.962 5.112 ( 0.657 -2.937 3.118) 4.334 5.279 ( -1.020 -0.036 -2.772) 2.954 5.382 ( -0.353 2.503 -1.601) 2.992 5.538 ( -0.567 0.749 -2.283) 2.469 5.579 ( -2.225 -5.677 1.226) 6.220 6.129 ( -3.273 -1.580 2.982) 4.701 6.208 ( 0.105 0.193 -1.905) 1.918 6.220 ( -1.182 -0.843 1.354) 1.985 6.426 ( -2.743 0.114 0.685) 2.830 6.622 ( 1.026 -2.218 3.542) 4.303 6.739 ( 2.190 0.418 -3.236) 3.929 7.357 ( 4.733 2.398 -1.793) 5.601 7.460 ( 2.769 5.159 1.163) 5.970 7.576 ( -2.768 -1.499 1.943) 3.699 7.688 ( -2.260 -4.496 -1.842) 5.359 8.792 ( -0.985 -0.105 -0.775) 1.258 8.910 ( 0.127 -2.531 0.735) 2.638 9.071 ( 1.625 -4.507 -2.048) 5.210 9.116 ( 0.842 -6.721 1.865) 7.025 9.457 ( -0.407 -0.053 0.554) 0.690 9.538 ( -5.360 -0.332 -1.146) 5.491 9.557 ( -3.322 -1.715 0.799) 3.823 9.629 ( 3.172 0.421 -0.822) 3.303 9.655 ( 2.052 -1.052 1.108) 2.558 9.678 ( 1.641 -3.959 -0.936) 4.387 10.199 ( -3.276 0.580 0.860) 3.437 10.422 ( 2.824 -4.701 -0.760) 5.536 10.623 ( 4.251 3.931 5.937) 8.293 10.764 ( -3.082 1.695 -0.828) 3.614 11.042 ( -4.766 -0.374 -2.704) 5.493 11.096 ( 0.626 4.216 -2.028) 4.720 11.228 ( 6.792 19.538 -3.013) 20.903 11.723 ( 6.735 13.000 4.875) 15.431 11.883 ( -8.375 -2.448 0.033) 8.726 12.097 ( -17.745 1.527 -4.275) 18.317 12.711 ( 7.978 -15.137 5.519) 17.978 12.929 ( 10.192 -15.975 -2.751) 19.148 15.975 ( -4.228 17.404 1.399) 17.965 16.289 ( 3.285 8.555 -1.353) 9.263 16.608 ( -3.238 -9.137 0.381) 9.702 16.619 ( 2.334 -5.689 -0.519) 6.171 ======================= Grid point 23 (17/95) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -9.785 14.888 -0.244) 17.817 1.614 ( -9.709 15.074 2.310) 18.079 1.790 ( -4.047 4.737 -0.545) 6.254 2.012 ( 0.770 -0.986 2.664) 2.943 2.163 ( 2.777 -0.385 -2.462) 3.731 2.208 ( 1.176 -1.118 3.060) 3.464 2.412 ( 0.115 3.652 -1.133) 3.826 2.662 ( -3.711 -5.078 -0.219) 6.293 2.681 ( -0.085 4.611 3.029) 5.518 2.740 ( 1.637 -4.122 -1.828) 4.798 2.885 ( 1.809 1.755 -0.418) 2.554 2.918 ( 2.776 -2.839 0.926) 4.077 2.937 ( -3.063 7.972 -0.919) 8.589 3.098 ( -5.369 10.503 -0.800) 11.823 3.250 ( 1.542 -0.663 -0.357) 1.716 3.349 ( 0.873 -5.686 -7.294) 9.289 3.595 ( -2.351 1.828 0.737) 3.068 3.668 ( -1.535 4.830 4.486) 6.769 3.781 ( 1.827 -6.507 1.590) 6.943 3.866 ( 6.561 -8.887 -0.964) 11.089 4.011 ( 1.657 -0.258 0.344) 1.712 4.062 ( -0.871 -2.341 -1.479) 2.903 4.137 ( -3.891 -1.538 1.456) 4.430 4.406 ( -3.993 4.307 0.532) 5.897 4.438 ( 6.248 -3.205 -3.381) 7.794 4.550 ( 0.158 1.192 0.792) 1.439 4.645 ( -2.368 -1.121 1.752) 3.152 4.848 ( 0.008 -5.151 1.426) 5.345 4.924 ( 6.442 2.332 1.347) 6.983 5.000 ( -0.678 -0.876 0.171) 1.121 5.052 ( 4.344 -0.889 -3.694) 5.771 5.218 ( 4.145 -5.359 4.077) 7.907 5.269 ( -0.056 -0.796 -2.638) 2.756 5.355 ( 0.019 0.675 -2.422) 2.514 5.524 ( -0.054 -0.265 -1.303) 1.331 5.613 ( -1.203 -5.347 0.594) 5.513 6.106 ( -2.765 -2.425 3.721) 5.232 6.157 ( -1.068 1.850 -7.288) 7.594 6.237 ( 0.137 2.038 7.878) 8.139 6.375 ( -2.585 0.066 -2.290) 3.455 6.650 ( -1.361 -0.605 3.304) 3.624 6.763 ( 2.035 0.003 -2.526) 3.244 7.441 ( 4.684 -0.857 -1.022) 4.870 7.462 ( 1.325 -3.743 0.119) 3.973 7.585 ( 0.852 -1.111 2.534) 2.895 7.693 ( -0.154 -1.080 -1.673) 1.997 8.784 ( 0.044 0.529 1.014) 1.145 8.957 ( 2.948 -1.041 -0.584) 3.180 9.129 ( 1.271 -1.424 -2.438) 3.097 9.183 ( -0.907 -4.409 2.858) 5.332 9.459 ( -3.730 -4.258 -0.538) 5.686 9.490 ( 0.456 -2.004 -2.023) 2.884 9.573 ( 1.300 -3.887 0.672) 4.153 9.645 ( 2.495 3.004 0.195) 3.910 9.760 ( 3.436 -4.529 -2.740) 6.311 9.769 ( 5.501 -2.409 2.121) 6.369 10.172 ( 0.318 -1.631 0.222) 1.676 10.515 ( 1.339 -5.415 -0.974) 5.662 10.604 ( -0.594 7.960 0.857) 8.028 10.674 ( -4.429 3.021 4.900) 7.263 10.915 ( -7.497 2.499 -0.424) 7.914 11.057 ( 1.335 3.606 -4.263) 5.741 11.101 ( -2.410 13.039 -1.270) 13.321 11.559 ( -17.476 4.685 2.660) 18.288 11.699 ( -4.612 9.984 5.632) 12.356 11.796 ( 1.149 19.285 -7.191) 20.614 13.165 ( 13.539 -26.426 1.575) 29.734 13.350 ( 12.790 -22.657 -0.535) 26.024 15.687 ( -6.462 19.280 0.701) 20.346 16.243 ( 0.457 6.863 0.451) 6.893 16.602 ( -2.673 -3.150 -0.771) 4.203 16.700 ( -0.188 -4.193 0.476) 4.224 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -8.922 16.949 -0.489) 19.160 1.277 ( -8.417 19.386 2.015) 21.230 1.622 ( -5.575 9.011 -2.111) 10.805 2.057 ( 1.071 -2.604 4.661) 5.446 2.215 ( 4.629 3.222 0.520) 5.663 2.262 ( 0.944 -4.392 0.987) 4.599 2.370 ( -2.347 5.103 -0.314) 5.625 2.429 ( -5.394 18.262 -1.336) 19.089 2.483 ( -8.198 27.576 -2.028) 28.840 2.702 ( -8.984 15.727 -2.343) 18.263 2.793 ( 4.504 -2.801 1.252) 5.449 2.850 ( -0.193 -2.434 -0.994) 2.636 2.969 ( 4.162 2.489 -0.544) 4.880 3.187 ( 6.317 -11.665 -0.111) 13.266 3.241 ( -7.373 7.905 0.786) 10.839 3.399 ( -0.306 -9.199 2.367) 9.503 3.492 ( 0.095 1.701 -4.817) 5.110 3.693 ( 6.244 -3.452 5.676) 9.118 3.937 ( 0.201 -4.781 -0.731) 4.841 4.060 ( -1.198 -3.440 0.367) 3.662 4.079 ( 2.985 -7.148 -2.358) 8.098 4.105 ( 6.105 -7.815 -2.780) 10.300 4.163 ( 3.288 -8.219 2.886) 9.311 4.320 ( -3.504 -1.768 -0.348) 3.940 4.532 ( 1.506 -3.570 -2.427) 4.572 4.572 ( -0.908 -2.807 2.584) 3.922 4.599 ( -2.708 0.853 0.218) 2.847 4.939 ( 2.491 -6.143 2.926) 7.246 4.984 ( 3.766 2.822 1.065) 4.825 4.998 ( 1.121 -0.360 -0.638) 1.340 5.142 ( 0.777 -6.100 0.454) 6.166 5.233 ( -1.810 -0.199 -6.323) 6.580 5.364 ( 1.651 -2.293 0.304) 2.842 5.380 ( 4.104 -5.575 2.917) 7.513 5.528 ( 0.104 -0.514 -0.677) 0.856 5.627 ( -2.446 -3.157 -1.104) 4.143 6.093 ( -1.627 0.160 2.483) 2.973 6.103 ( -0.571 1.496 -4.952) 5.204 6.233 ( 0.292 3.007 7.579) 8.159 6.318 ( -2.291 0.808 -4.083) 4.751 6.617 ( -1.600 1.946 0.952) 2.693 6.789 ( 0.704 -0.902 -0.969) 1.500 7.522 ( 4.014 -3.151 1.593) 5.346 7.602 ( 2.900 -9.596 -2.324) 10.291 7.642 ( 1.640 -5.857 2.462) 6.561 7.690 ( 0.329 0.726 -1.200) 1.441 8.778 ( -0.009 1.662 1.095) 1.990 9.021 ( 4.193 1.366 -0.205) 4.415 9.120 ( -0.429 2.973 -0.922) 3.142 9.207 ( -0.953 -2.981 0.834) 3.239 9.423 ( -4.281 -2.054 1.054) 4.864 9.532 ( 0.312 -6.231 -3.200) 7.011 9.649 ( 5.010 1.373 -0.176) 5.198 9.701 ( 5.076 -1.757 0.857) 5.440 9.839 ( -0.364 -3.449 -1.497) 3.777 9.865 ( 0.564 -4.696 -0.216) 4.735 10.261 ( 7.327 -0.674 0.764) 7.398 10.439 ( -5.167 6.045 0.423) 7.964 10.541 ( -4.271 3.455 2.243) 5.934 10.650 ( 3.622 -0.129 2.970) 4.685 10.718 ( -8.020 10.927 -0.162) 13.556 10.869 ( -9.300 7.765 -3.369) 12.575 11.034 ( -1.389 1.757 -0.964) 2.438 11.226 ( -11.066 3.415 -1.604) 11.692 11.549 ( -0.391 13.737 3.803) 14.259 11.619 ( 2.568 22.099 -2.029) 22.340 13.659 ( 9.301 -27.741 0.618) 29.265 13.787 ( 8.260 -24.955 -0.127) 26.286 15.390 ( -4.355 18.990 0.245) 19.485 16.162 ( -2.018 6.566 1.236) 6.979 16.588 ( -0.910 -0.835 -0.006) 1.235 16.717 ( -0.631 -1.354 -0.121) 1.499 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 18.820 -0.000) 18.820 0.975 ( 0.000 22.527 -0.000) 22.527 1.452 ( 0.000 10.993 -0.000) 10.993 1.942 ( 0.000 41.456 -0.000) 41.456 2.117 ( -0.000 -2.216 0.000) 2.216 2.159 ( 0.000 24.265 -0.000) 24.265 2.285 ( 0.000 1.190 -0.000) 1.190 2.336 ( -0.000 -4.238 0.000) 4.238 2.346 ( 0.000 17.431 -0.000) 17.431 2.374 ( 0.000 3.273 -0.000) 3.273 2.847 ( 0.000 6.385 -0.000) 6.385 2.886 ( -0.000 -2.340 0.000) 2.340 2.999 ( 0.000 6.891 -0.000) 6.891 3.065 ( -0.000 -6.162 0.000) 6.162 3.380 ( -0.000 -11.488 0.000) 11.488 3.465 ( 0.000 0.820 -0.000) 0.820 3.519 ( -0.000 -10.724 0.000) 10.724 3.853 ( -0.000 -1.644 0.000) 1.644 3.931 ( -0.000 -6.495 0.000) 6.495 4.061 ( -0.000 -1.395 0.000) 1.395 4.211 ( -0.000 -11.218 0.000) 11.218 4.258 ( -0.000 -4.808 0.000) 4.808 4.259 ( -0.000 -4.703 0.000) 4.703 4.371 ( -0.000 -10.318 0.000) 10.318 4.532 ( -0.000 -1.199 0.000) 1.199 4.576 ( -0.000 -1.987 0.000) 1.987 4.599 ( -0.000 -1.386 0.000) 1.386 4.970 ( 0.000 4.030 -0.000) 4.030 5.023 ( -0.000 -6.287 0.000) 6.287 5.081 ( 0.000 0.771 -0.000) 0.771 5.188 ( -0.000 -9.066 0.000) 9.066 5.209 ( -0.000 -0.762 0.000) 0.762 5.412 ( -0.000 -4.277 0.000) 4.277 5.511 ( -0.000 -6.386 0.000) 6.386 5.535 ( -0.000 -1.261 0.000) 1.261 5.594 ( 0.000 0.414 -0.000) 0.414 6.067 ( 0.000 1.485 -0.000) 1.485 6.071 ( 0.000 2.995 -0.000) 2.995 6.241 ( 0.000 0.228 -0.000) 0.228 6.263 ( 0.000 2.077 -0.000) 2.077 6.579 ( 0.000 2.708 -0.000) 2.708 6.801 ( -0.000 -0.666 0.000) 0.666 7.600 ( -0.000 -1.065 0.000) 1.065 7.680 ( 0.000 1.431 -0.000) 1.431 7.698 ( -0.000 -9.321 0.000) 9.321 7.796 ( -0.000 -14.182 0.000) 14.182 8.753 ( 0.000 3.205 -0.000) 3.205 9.053 ( 0.000 2.734 -0.000) 2.734 9.066 ( 0.000 3.059 -0.000) 3.059 9.221 ( -0.000 -1.190 0.000) 1.190 9.376 ( 0.000 0.917 -0.000) 0.917 9.615 ( -0.000 -7.152 0.000) 7.152 9.722 ( -0.000 -1.822 0.000) 1.822 9.818 ( -0.000 -3.063 0.000) 3.063 9.824 ( -0.000 -1.302 0.000) 1.302 9.862 ( -0.000 -2.833 0.000) 2.833 10.323 ( 0.000 2.598 -0.000) 2.598 10.346 ( 0.000 8.505 -0.000) 8.505 10.434 ( 0.000 22.334 -0.000) 22.334 10.456 ( 0.000 6.659 -0.000) 6.659 10.659 ( 0.000 3.533 -0.000) 3.533 10.751 ( -0.000 -3.864 0.000) 3.864 10.981 ( 0.000 0.346 -0.000) 0.346 11.127 ( 0.000 2.125 -0.000) 2.125 11.419 ( 0.000 19.300 -0.000) 19.300 11.419 ( 0.000 12.418 -0.000) 12.418 14.021 ( -0.000 -25.213 0.000) 25.213 14.121 ( -0.000 -24.557 0.000) 24.557 15.171 ( 0.000 15.680 -0.000) 15.680 16.066 ( 0.000 7.651 -0.000) 7.651 16.586 ( -0.000 -0.178 0.000) 0.178 16.714 ( 0.000 0.661 -0.000) 0.661 ======================= Grid point 30 (20/95) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 2.236 0.000 2.842) 3.616 1.850 ( -8.396 -0.000 3.275) 9.012 1.993 ( 1.487 0.000 -5.990) 6.171 2.047 ( 1.555 0.000 2.764) 3.172 2.075 ( 6.556 0.000 -1.530) 6.732 2.124 ( -3.974 -0.000 2.077) 4.484 2.471 ( 2.800 0.000 -1.494) 3.173 2.486 ( 0.215 0.000 1.468) 1.483 2.608 ( 0.669 0.000 -0.513) 0.843 2.648 ( 0.755 0.000 1.590) 1.760 2.806 ( -2.422 -0.000 -1.419) 2.807 2.854 ( 2.512 0.000 1.646) 3.004 2.963 ( 0.910 0.000 5.385) 5.461 3.250 ( -0.287 -0.000 -8.206) 8.211 3.313 ( -1.306 -0.000 4.173) 4.372 3.391 ( -5.152 -0.000 -4.815) 7.052 3.456 ( -2.548 -0.000 -9.003) 9.356 3.481 ( 7.157 0.000 2.244) 7.500 3.792 ( -4.891 -0.000 8.334) 9.663 3.979 ( 1.597 0.000 3.237) 3.610 4.040 ( -0.319 -0.000 -2.504) 2.525 4.111 ( -2.657 -0.000 -1.937) 3.289 4.181 ( 10.313 0.000 0.354) 10.319 4.250 ( -6.877 -0.000 -2.007) 7.164 4.637 ( 0.221 0.000 2.228) 2.239 4.684 ( -3.691 -0.000 -2.545) 4.483 4.694 ( -3.725 -0.000 -0.475) 3.755 4.754 ( -0.083 -0.000 -2.735) 2.736 4.822 ( 0.722 0.000 2.809) 2.901 4.856 ( 7.910 0.000 -0.146) 7.911 5.026 ( 1.430 0.000 7.097) 7.240 5.088 ( 3.498 0.000 -4.437) 5.650 5.296 ( 0.937 0.000 -1.009) 1.377 5.433 ( -1.534 -0.000 1.358) 2.049 5.483 ( -3.976 -0.000 -2.071) 4.483 5.546 ( -1.409 -0.000 -1.267) 1.895 6.111 ( -4.208 -0.000 1.671) 4.528 6.197 ( 1.746 0.000 8.349) 8.530 6.220 ( -0.105 -0.000 -7.516) 7.517 6.428 ( -2.939 -0.000 0.367) 2.962 6.599 ( 0.860 0.000 5.513) 5.580 6.739 ( 2.266 0.000 -4.749) 5.262 7.405 ( 4.759 0.000 -0.554) 4.791 7.545 ( -2.884 -0.000 0.805) 2.994 7.565 ( -6.252 -0.000 -0.562) 6.277 7.591 ( 4.469 0.000 -0.239) 4.476 8.798 ( -0.447 -0.000 0.882) 0.989 8.876 ( 1.149 0.000 -1.786) 2.123 9.018 ( 1.367 0.000 -0.261) 1.391 9.035 ( 1.980 0.000 0.172) 1.987 9.461 ( -0.162 -0.000 1.445) 1.454 9.528 ( -6.619 -0.000 -0.086) 6.619 9.549 ( -5.566 -0.000 -0.123) 5.567 9.615 ( 3.835 0.000 -2.545) 4.603 9.645 ( 3.319 0.000 0.397) 3.343 9.646 ( 1.101 0.000 1.423) 1.799 10.238 ( -4.206 -0.000 1.692) 4.534 10.339 ( 3.458 0.000 -2.341) 4.176 10.676 ( 6.419 0.000 8.802) 10.894 10.779 ( -3.271 -0.000 -2.002) 3.835 11.031 ( -4.568 -0.000 -3.211) 5.584 11.138 ( -1.641 -0.000 1.203) 2.035 11.590 ( -6.709 -0.000 -6.518) 9.353 11.707 ( 16.602 0.000 -5.840) 17.599 11.944 ( 15.950 0.000 2.418) 16.132 12.028 ( -18.639 -0.000 4.297) 19.128 12.592 ( -4.145 -0.000 9.652) 10.505 12.719 ( 2.377 0.000 -7.313) 7.690 16.280 ( -5.238 -0.000 2.956) 6.014 16.381 ( 0.175 0.000 1.928) 1.936 16.429 ( 2.350 0.000 -3.001) 3.811 16.521 ( 3.212 0.000 -2.259) 3.927 ======================= Grid point 32 (21/95) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -10.655 7.770 2.031) 13.343 1.833 ( -3.166 -0.306 0.535) 3.225 1.913 ( -5.406 12.692 1.336) 13.860 2.018 ( 1.666 1.299 -1.262) 2.460 2.084 ( -2.702 -4.210 0.588) 5.037 2.201 ( 3.348 -2.644 1.619) 4.563 2.488 ( 3.260 3.210 -1.359) 4.772 2.555 ( 0.372 -4.038 -1.135) 4.211 2.652 ( 2.804 -2.282 0.779) 3.699 2.698 ( 1.292 -4.890 1.794) 5.367 2.779 ( 1.539 -0.149 0.963) 1.821 2.938 ( 6.094 1.772 1.360) 6.490 3.069 ( 7.112 0.787 3.321) 7.888 3.190 ( -2.936 -1.928 -2.954) 4.590 3.290 ( -0.399 5.106 -3.156) 6.016 3.333 ( -1.790 1.489 -5.555) 6.023 3.498 ( 6.573 -6.089 -4.186) 9.890 3.658 ( 8.555 -5.252 2.009) 10.238 3.723 ( -2.424 2.869 6.041) 7.113 3.907 ( -7.564 5.889 2.023) 9.797 4.018 ( -2.606 -2.009 -1.860) 3.780 4.041 ( -4.574 2.599 0.384) 5.275 4.107 ( -3.698 -1.914 -0.313) 4.176 4.376 ( 7.153 -1.371 -1.678) 7.474 4.523 ( -7.523 4.168 -1.212) 8.685 4.564 ( -6.470 0.648 -1.150) 6.603 4.660 ( -0.643 0.272 1.633) 1.776 4.753 ( -0.691 -2.638 -1.267) 3.007 4.886 ( 2.286 -3.466 2.612) 4.905 4.992 ( 6.036 0.698 0.963) 6.152 5.067 ( 0.536 1.746 -2.815) 3.355 5.125 ( 2.109 -3.793 1.082) 4.473 5.327 ( 3.057 4.548 -0.342) 5.490 5.372 ( -2.413 1.359 -2.102) 3.477 5.471 ( -1.514 -5.864 2.990) 6.754 5.530 ( 0.070 -1.082 -2.340) 2.579 6.066 ( -2.211 -1.059 3.698) 4.437 6.188 ( -0.564 0.985 -7.395) 7.482 6.255 ( 1.418 -0.137 7.979) 8.105 6.381 ( -1.508 0.391 -2.815) 3.217 6.628 ( -0.296 -0.794 5.504) 5.569 6.760 ( 1.384 -0.314 -3.349) 3.637 7.430 ( -3.665 1.024 -0.869) 3.904 7.442 ( -2.135 -0.054 0.541) 2.203 7.528 ( 0.876 -3.392 -1.203) 3.704 7.702 ( 4.762 0.960 1.073) 4.975 8.797 ( 0.291 0.472 2.028) 2.102 8.944 ( 6.427 -0.088 -2.805) 7.013 9.066 ( 2.187 -2.667 -0.415) 3.473 9.101 ( 2.733 -3.129 -0.007) 4.155 9.421 ( -4.246 0.515 -0.122) 4.279 9.453 ( -3.970 -1.008 -0.277) 4.105 9.532 ( 4.883 -1.317 0.651) 5.100 9.668 ( 1.974 -1.713 -0.520) 2.665 9.681 ( 1.921 -0.950 0.096) 2.145 9.756 ( 7.543 0.352 -0.088) 7.552 10.185 ( 0.565 2.120 0.336) 2.219 10.402 ( 0.956 -4.569 -1.538) 4.915 10.692 ( -5.149 0.621 -3.389) 6.196 10.760 ( 1.989 4.653 8.362) 9.774 10.927 ( -7.076 -0.781 3.986) 8.159 11.087 ( -3.568 0.507 0.194) 3.609 11.354 ( -8.042 8.158 -7.971) 13.956 11.626 ( -22.356 1.736 -1.062) 22.448 11.911 ( 9.055 10.179 1.432) 13.699 12.165 ( 12.435 13.066 -3.250) 18.328 12.687 ( 5.370 -15.539 6.346) 17.623 12.912 ( 8.154 -17.833 -2.421) 19.758 16.070 ( -5.621 16.298 2.186) 17.378 16.343 ( -4.151 -0.028 -0.678) 4.206 16.497 ( 1.672 -4.739 0.105) 5.026 16.604 ( 1.724 -3.958 -1.445) 4.553 ======================= Grid point 33 (22/95) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -8.096 12.529 0.845) 14.941 1.654 ( -5.440 16.614 0.727) 17.497 1.761 ( -3.656 3.709 -0.572) 5.239 2.016 ( -0.560 -0.829 2.275) 2.485 2.123 ( 0.335 -6.057 -1.234) 6.190 2.265 ( 2.664 0.386 1.998) 3.352 2.496 ( 1.992 7.036 0.150) 7.314 2.573 ( -0.216 -1.656 -1.685) 2.372 2.691 ( -2.291 -0.338 0.891) 2.481 2.740 ( 2.394 -3.827 -0.094) 4.515 2.930 ( 5.297 -9.832 0.726) 11.191 3.000 ( 3.182 6.577 0.409) 7.317 3.052 ( 0.255 19.535 0.327) 19.540 3.163 ( 0.795 8.754 -3.105) 9.322 3.214 ( -1.110 -4.240 -3.065) 5.348 3.328 ( 1.863 0.629 0.458) 2.019 3.587 ( -1.587 2.913 0.096) 3.319 3.685 ( -3.237 3.518 3.792) 6.102 3.782 ( 5.101 -6.039 -1.099) 7.981 3.907 ( 4.166 -7.484 1.264) 8.658 3.969 ( -0.193 -4.966 0.803) 5.034 3.999 ( -1.057 -3.468 -3.113) 4.779 4.087 ( -0.477 -0.857 0.803) 1.267 4.326 ( -9.088 1.784 -0.175) 9.264 4.465 ( 0.093 -2.713 -1.756) 3.233 4.496 ( -2.331 -3.822 0.529) 4.508 4.647 ( 0.295 2.685 0.499) 2.747 4.794 ( 0.325 -6.853 1.610) 7.048 4.959 ( 1.013 -2.358 0.413) 2.600 5.040 ( 0.066 -0.856 -3.799) 3.895 5.053 ( 2.374 2.170 0.607) 3.273 5.233 ( 2.188 -6.886 2.592) 7.676 5.301 ( 0.077 3.727 0.133) 3.730 5.332 ( -1.290 -1.562 -2.208) 2.997 5.515 ( 0.699 -0.858 0.441) 1.191 5.557 ( 0.462 -3.210 -0.737) 3.326 6.070 ( -0.391 -1.175 4.627) 4.790 6.140 ( -0.912 1.496 -6.386) 6.622 6.285 ( -0.265 0.529 6.578) 6.604 6.346 ( 0.126 2.488 -4.125) 4.819 6.631 ( -1.250 -0.199 2.854) 3.122 6.774 ( 0.533 -0.483 -1.433) 1.603 7.399 ( -1.454 -5.435 0.413) 5.641 7.454 ( -0.117 -6.391 -0.772) 6.438 7.573 ( 1.450 -0.769 -0.691) 1.781 7.742 ( 1.928 2.806 0.854) 3.510 8.805 ( 0.488 0.940 1.850) 2.132 9.054 ( 6.723 1.773 -1.454) 7.103 9.126 ( 0.677 -3.509 0.044) 3.574 9.163 ( 1.352 -0.629 -0.899) 1.741 9.368 ( -2.239 -2.139 -0.404) 3.123 9.418 ( -1.773 -2.350 -0.359) 2.966 9.656 ( 6.364 -0.962 0.704) 6.475 9.708 ( 1.902 -0.043 0.666) 2.015 9.744 ( 1.588 -4.827 -2.068) 5.486 9.832 ( 1.452 1.694 -0.453) 2.277 10.261 ( 8.832 1.133 0.639) 8.928 10.448 ( -0.358 -4.876 0.410) 4.906 10.570 ( -5.104 1.683 -3.694) 6.522 10.729 ( -0.477 5.409 9.467) 10.914 10.827 ( -5.014 1.961 0.690) 5.428 10.963 ( -13.788 0.640 3.734) 14.299 11.142 ( -2.031 7.235 -8.424) 11.289 11.287 ( -10.908 2.112 -2.809) 11.460 11.875 ( 3.973 18.413 2.885) 19.056 12.103 ( 5.009 23.843 -2.081) 24.453 13.067 ( 6.843 -28.710 1.741) 29.566 13.267 ( 5.880 -25.137 -0.513) 25.821 15.802 ( -3.863 19.757 1.129) 20.163 16.265 ( -2.918 2.500 -0.392) 3.862 16.554 ( 0.592 -2.390 0.315) 2.482 16.651 ( -0.310 -4.377 -0.669) 4.438 ======================= Grid point 34 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 15.954 -0.000) 15.954 1.412 ( 0.000 19.922 -0.000) 19.922 1.658 ( 0.000 8.047 -0.000) 8.047 2.042 ( -0.000 -3.310 0.000) 3.310 2.191 ( -0.000 -6.486 0.000) 6.486 2.299 ( -0.000 -0.514 0.000) 0.514 2.410 ( 0.000 10.010 -0.000) 10.010 2.532 ( 0.000 7.838 -0.000) 7.838 2.707 ( 0.000 1.915 -0.000) 1.915 2.748 ( 0.000 25.114 -0.000) 25.114 2.807 ( -0.000 -4.462 0.000) 4.462 2.867 ( 0.000 18.915 -0.000) 18.915 3.114 ( -0.000 -13.318 0.000) 13.318 3.149 ( 0.000 5.775 -0.000) 5.775 3.195 ( 0.000 9.027 -0.000) 9.027 3.301 ( -0.000 -7.652 0.000) 7.652 3.520 ( 0.000 4.252 -0.000) 4.252 3.774 ( -0.000 -6.023 0.000) 6.023 3.803 ( -0.000 -4.957 0.000) 4.957 3.996 ( -0.000 -8.114 0.000) 8.114 4.050 ( -0.000 -1.374 0.000) 1.374 4.085 ( -0.000 -10.462 0.000) 10.462 4.175 ( -0.000 -2.806 0.000) 2.806 4.203 ( -0.000 -5.668 0.000) 5.668 4.483 ( -0.000 -3.762 0.000) 3.762 4.518 ( -0.000 -3.062 0.000) 3.062 4.622 ( 0.000 2.691 -0.000) 2.691 4.896 ( -0.000 -8.723 0.000) 8.723 4.994 ( -0.000 -5.135 0.000) 5.135 5.042 ( 0.000 2.439 -0.000) 2.439 5.055 ( -0.000 -1.137 0.000) 1.137 5.258 ( 0.000 3.947 -0.000) 3.947 5.342 ( -0.000 -5.870 0.000) 5.870 5.356 ( -0.000 -6.219 0.000) 6.219 5.522 ( -0.000 -0.084 0.000) 0.084 5.582 ( -0.000 -1.495 0.000) 1.495 6.089 ( -0.000 -0.620 0.000) 0.620 6.100 ( 0.000 1.578 -0.000) 1.578 6.288 ( 0.000 0.280 -0.000) 0.280 6.301 ( 0.000 4.668 -0.000) 4.668 6.617 ( 0.000 0.917 -0.000) 0.917 6.783 ( -0.000 -0.834 0.000) 0.834 7.476 ( -0.000 -10.208 0.000) 10.208 7.548 ( -0.000 -10.515 0.000) 10.515 7.587 ( -0.000 -0.155 0.000) 0.155 7.729 ( 0.000 3.078 -0.000) 3.078 8.799 ( 0.000 1.576 -0.000) 1.576 9.107 ( 0.000 2.564 -0.000) 2.564 9.141 ( 0.000 2.187 -0.000) 2.187 9.163 ( -0.000 -2.090 0.000) 2.090 9.378 ( -0.000 -2.206 0.000) 2.206 9.441 ( -0.000 -6.416 0.000) 6.416 9.734 ( 0.000 1.514 -0.000) 1.514 9.757 ( -0.000 -2.781 0.000) 2.781 9.783 ( -0.000 -4.343 0.000) 4.343 9.815 ( 0.000 0.552 -0.000) 0.552 10.341 ( -0.000 -0.205 0.000) 0.205 10.461 ( 0.000 4.106 -0.000) 4.106 10.584 ( 0.000 1.583 -0.000) 1.583 10.680 ( 0.000 0.011 -0.000) 0.011 10.707 ( 0.000 2.209 -0.000) 2.209 10.762 ( 0.000 7.305 -0.000) 7.305 11.048 ( 0.000 5.971 -0.000) 5.971 11.179 ( 0.000 2.736 -0.000) 2.736 11.723 ( 0.000 17.679 -0.000) 17.679 11.889 ( 0.000 25.032 -0.000) 25.032 13.443 ( -0.000 -30.318 0.000) 30.318 13.590 ( -0.000 -26.731 0.000) 26.731 15.558 ( 0.000 20.827 -0.000) 20.827 16.198 ( 0.000 4.844 -0.000) 4.844 16.575 ( -0.000 -1.039 0.000) 1.039 16.687 ( -0.000 -3.329 0.000) 3.329 ======================= Grid point 41 (24/95) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -7.850 -0.000 1.661) 8.024 1.768 ( -3.248 -0.000 -0.092) 3.249 1.905 ( -5.079 -0.000 -0.512) 5.105 1.973 ( -3.494 -0.000 1.593) 3.840 2.054 ( 1.586 0.000 -0.910) 1.829 2.267 ( 3.895 0.000 2.346) 4.547 2.526 ( 0.029 0.000 -1.962) 1.962 2.602 ( 5.176 0.000 0.000) 5.176 2.681 ( 0.216 0.000 0.821) 0.849 2.684 ( 1.762 0.000 0.650) 1.879 2.828 ( 2.977 0.000 0.725) 3.064 3.017 ( -1.210 -0.000 0.198) 1.227 3.164 ( 4.168 0.000 -2.954) 5.109 3.269 ( 11.750 0.000 4.574) 12.609 3.309 ( 0.306 0.000 -2.276) 2.296 3.310 ( -1.183 -0.000 -2.800) 3.040 3.580 ( 5.141 0.000 -1.301) 5.303 3.753 ( -4.094 -0.000 -0.067) 4.095 3.769 ( 5.357 0.000 2.218) 5.798 3.827 ( -6.205 -0.000 3.162) 6.964 3.869 ( 1.123 0.000 -2.862) 3.074 3.999 ( -0.175 -0.000 -2.116) 2.123 4.062 ( -4.292 -0.000 1.729) 4.627 4.351 ( -11.595 -0.000 1.018) 11.639 4.429 ( -6.486 -0.000 -1.440) 6.643 4.453 ( 2.376 0.000 -1.500) 2.810 4.663 ( 0.414 0.000 1.027) 1.107 4.737 ( -0.044 -0.000 -0.204) 0.209 4.935 ( 3.822 0.000 0.729) 3.891 5.053 ( -1.576 -0.000 -4.522) 4.789 5.075 ( 2.518 0.000 1.046) 2.727 5.129 ( 0.672 0.000 3.203) 3.273 5.313 ( -3.047 -0.000 -2.166) 3.738 5.360 ( -1.622 -0.000 0.395) 1.670 5.487 ( 3.813 0.000 2.678) 4.659 5.528 ( 0.911 0.000 -2.139) 2.325 6.057 ( 0.173 0.000 4.416) 4.420 6.157 ( -1.230 -0.000 -6.488) 6.603 6.281 ( -0.442 -0.000 4.101) 4.125 6.381 ( 1.439 0.000 -1.674) 2.208 6.627 ( -0.936 -0.000 3.783) 3.897 6.769 ( 0.738 0.000 -2.003) 2.134 7.359 ( -3.226 -0.000 -0.028) 3.226 7.364 ( -3.041 -0.000 -0.039) 3.042 7.569 ( 2.727 0.000 -1.190) 2.975 7.775 ( 2.056 0.000 1.030) 2.299 8.815 ( 0.613 0.000 2.008) 2.099 9.082 ( 8.111 0.000 -3.320) 8.765 9.087 ( 1.520 0.000 -0.127) 1.526 9.126 ( 1.523 0.000 0.187) 1.535 9.371 ( -1.632 -0.000 -0.056) 1.633 9.395 ( -1.627 -0.000 -0.149) 1.634 9.640 ( 6.506 0.000 0.156) 6.508 9.682 ( 1.098 0.000 -0.544) 1.226 9.704 ( 0.898 0.000 0.443) 1.001 9.864 ( 3.256 0.000 -0.861) 3.368 10.303 ( 11.748 0.000 0.850) 11.779 10.358 ( -2.322 -0.000 -0.212) 2.332 10.587 ( -5.103 -0.000 -4.298) 6.672 10.808 ( -2.203 -0.000 3.273) 3.945 10.828 ( -4.937 -0.000 10.121) 11.260 10.963 ( -12.436 -0.000 2.269) 12.641 11.228 ( -5.737 -0.000 -7.080) 9.112 11.305 ( -10.116 -0.000 -4.698) 11.154 12.186 ( 9.030 0.000 -0.688) 9.056 12.449 ( 9.264 0.000 -1.644) 9.409 12.663 ( 1.176 0.000 5.620) 5.741 12.888 ( 3.672 0.000 -1.684) 4.040 16.087 ( -4.275 -0.000 1.593) 4.562 16.234 ( -3.635 -0.000 -0.311) 3.649 16.524 ( 1.927 0.000 0.259) 1.944 16.592 ( -0.025 -0.000 -1.399) 1.399 ======================= Grid point 43 (25/95) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 8.053 -0.000) 8.053 1.729 ( 0.000 3.241 -0.000) 3.241 1.775 ( 0.000 10.367 -0.000) 10.367 1.983 ( -0.000 -4.031 0.000) 4.031 2.080 ( -0.000 -2.857 0.000) 2.857 2.305 ( 0.000 0.782 -0.000) 0.782 2.526 ( -0.000 -0.504 0.000) 0.504 2.646 ( 0.000 3.022 -0.000) 3.022 2.656 ( 0.000 3.764 -0.000) 3.764 2.721 ( -0.000 -3.423 0.000) 3.423 2.892 ( -0.000 -6.491 0.000) 6.491 3.021 ( -0.000 -5.867 0.000) 5.867 3.217 ( 0.000 1.249 -0.000) 1.249 3.220 ( 0.000 11.176 -0.000) 11.176 3.266 ( 0.000 10.106 -0.000) 10.106 3.422 ( 0.000 6.796 -0.000) 6.796 3.579 ( 0.000 0.719 -0.000) 0.719 3.649 ( -0.000 -4.587 0.000) 4.587 3.758 ( -0.000 -0.369 0.000) 0.369 3.912 ( 0.000 0.797 -0.000) 0.797 3.937 ( -0.000 -2.564 0.000) 2.564 3.981 ( -0.000 -4.458 0.000) 4.458 4.079 ( -0.000 -6.548 0.000) 6.548 4.182 ( 0.000 2.156 -0.000) 2.156 4.390 ( -0.000 -4.232 0.000) 4.232 4.475 ( -0.000 -0.943 0.000) 0.943 4.671 ( 0.000 0.465 -0.000) 0.465 4.745 ( -0.000 -2.590 0.000) 2.590 4.972 ( 0.000 1.049 -0.000) 1.049 5.029 ( -0.000 -0.518 0.000) 0.518 5.091 ( 0.000 1.259 -0.000) 1.259 5.175 ( -0.000 -6.645 0.000) 6.645 5.289 ( -0.000 -2.056 0.000) 2.056 5.333 ( 0.000 2.636 -0.000) 2.636 5.526 ( 0.000 0.228 -0.000) 0.228 5.544 ( -0.000 -1.612 0.000) 1.612 6.076 ( -0.000 -0.327 0.000) 0.327 6.124 ( 0.000 0.635 -0.000) 0.635 6.282 ( -0.000 -0.445 0.000) 0.445 6.383 ( 0.000 2.524 -0.000) 2.524 6.622 ( -0.000 -0.067 0.000) 0.067 6.773 ( -0.000 -0.166 0.000) 0.166 7.337 ( -0.000 -2.713 0.000) 2.713 7.374 ( -0.000 -5.823 0.000) 5.823 7.590 ( 0.000 0.238 -0.000) 0.238 7.784 ( 0.000 1.738 -0.000) 1.738 8.821 ( 0.000 0.574 -0.000) 0.574 9.104 ( -0.000 -1.091 0.000) 1.091 9.152 ( 0.000 1.454 -0.000) 1.454 9.155 ( -0.000 -2.509 0.000) 2.509 9.348 ( 0.000 1.483 -0.000) 1.483 9.390 ( -0.000 -1.059 0.000) 1.059 9.703 ( -0.000 -2.249 0.000) 2.249 9.717 ( -0.000 -1.729 0.000) 1.729 9.718 ( -0.000 -1.293 0.000) 1.293 9.870 ( 0.000 2.772 -0.000) 2.772 10.331 ( -0.000 -0.486 0.000) 0.486 10.518 ( 0.000 1.482 -0.000) 1.482 10.545 ( -0.000 -2.074 0.000) 2.074 10.670 ( -0.000 -0.514 0.000) 0.514 10.789 ( 0.000 2.773 -0.000) 2.773 10.830 ( 0.000 1.066 -0.000) 1.066 11.150 ( 0.000 2.816 -0.000) 2.816 11.224 ( 0.000 1.333 -0.000) 1.333 12.132 ( 0.000 20.374 -0.000) 20.374 12.389 ( 0.000 21.928 -0.000) 21.928 12.845 ( -0.000 -25.454 0.000) 25.454 13.065 ( -0.000 -22.639 0.000) 22.639 15.952 ( 0.000 15.553 -0.000) 15.553 16.230 ( -0.000 -2.761 0.000) 2.761 16.548 ( -0.000 -1.120 0.000) 1.120 16.605 ( -0.000 -3.237 0.000) 3.237 ======================= Grid point 85 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 4.346 0.000 19.916) 20.384 0.415 ( -8.781 -0.000 19.977) 21.822 0.847 ( -3.425 -0.000 39.949) 40.095 1.071 ( 4.649 0.000 -10.375) 11.369 1.108 ( -2.156 -0.000 -10.954) 11.164 1.933 ( 1.339 0.000 3.546) 3.791 2.007 ( -1.453 -0.000 0.038) 1.453 2.182 ( 0.941 0.000 -20.081) 20.103 2.422 ( 0.236 0.000 -0.361) 0.431 2.426 ( 1.183 0.000 -0.602) 1.328 2.605 ( -0.568 -0.000 3.571) 3.616 2.763 ( -0.779 -0.000 -2.589) 2.703 3.249 ( -0.769 -0.000 1.645) 1.816 3.400 ( 0.560 0.000 -5.691) 5.718 3.402 ( -2.125 -0.000 2.059) 2.959 3.535 ( 2.423 0.000 -3.884) 4.578 3.858 ( 1.342 0.000 5.942) 6.092 3.922 ( -2.155 -0.000 6.615) 6.957 4.074 ( 0.333 0.000 -0.441) 0.552 4.123 ( -1.814 -0.000 -4.841) 5.170 4.334 ( 0.382 0.000 -1.565) 1.611 4.362 ( -3.471 -0.000 1.484) 3.775 4.390 ( 2.705 0.000 -1.673) 3.180 4.432 ( 0.776 0.000 0.152) 0.791 4.582 ( 2.712 0.000 -2.014) 3.378 4.688 ( -1.474 -0.000 1.213) 1.909 4.724 ( 3.286 0.000 -0.304) 3.300 4.806 ( -6.836 -0.000 -9.239) 11.493 4.933 ( -2.632 -0.000 9.799) 10.146 5.156 ( 1.188 0.000 2.665) 2.918 5.418 ( 1.404 0.000 -0.123) 1.410 5.420 ( 4.443 0.000 2.465) 5.081 5.480 ( 0.627 0.000 -4.143) 4.190 5.578 ( -2.248 -0.000 -2.702) 3.515 5.588 ( 0.545 0.000 -0.593) 0.806 5.629 ( -1.061 -0.000 -1.675) 1.983 6.015 ( 1.508 0.000 5.480) 5.684 6.174 ( -4.548 -0.000 -0.670) 4.597 6.275 ( 2.358 0.000 -0.387) 2.389 6.298 ( -1.384 -0.000 -0.982) 1.698 6.652 ( -2.347 -0.000 14.241) 14.434 7.318 ( 39.503 0.000 -12.119) 41.320 7.626 ( -3.580 -0.000 -0.757) 3.659 7.675 ( -28.630 -0.000 -3.801) 28.882 7.708 ( 1.953 0.000 1.366) 2.383 7.742 ( -2.557 -0.000 -0.266) 2.571 8.593 ( -4.091 -0.000 8.107) 9.080 8.872 ( 1.833 0.000 -3.887) 4.297 9.080 ( 0.475 0.000 0.553) 0.729 9.095 ( -1.003 -0.000 -0.001) 1.003 9.417 ( -1.406 -0.000 -1.005) 1.728 9.471 ( 7.943 0.000 -3.287) 8.596 9.528 ( -4.972 -0.000 2.996) 5.805 9.593 ( -0.269 -0.000 0.982) 1.019 9.832 ( 2.067 0.000 -0.666) 2.172 9.894 ( 1.068 0.000 -3.340) 3.506 9.946 ( -7.862 -0.000 2.003) 8.113 10.018 ( 5.053 0.000 0.816) 5.119 10.184 ( -1.119 -0.000 -1.191) 1.635 10.276 ( -1.572 -0.000 -3.388) 3.735 10.334 ( 0.056 0.000 3.594) 3.594 10.385 ( 2.483 0.000 1.327) 2.816 11.053 ( -2.160 -0.000 -0.468) 2.210 11.062 ( 0.308 0.000 -0.580) 0.657 11.098 ( 0.357 0.000 0.961) 1.025 11.113 ( 0.963 0.000 0.142) 0.974 14.592 ( -2.188 -0.000 1.027) 2.417 14.660 ( 5.762 0.000 -2.088) 6.129 14.783 ( -4.084 -0.000 2.569) 4.825 14.867 ( 2.068 0.000 -1.178) 2.380 16.620 ( -0.524 -0.000 0.023) 0.524 16.620 ( 0.535 0.000 0.004) 0.535 ======================= Grid point 86 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 19.852 -3.919 12.032) 23.542 0.828 ( 10.801 -8.970 22.486) 26.510 1.128 ( 11.110 -17.130 -2.632) 20.586 1.215 ( 18.362 -13.363 10.895) 25.188 1.410 ( 26.902 -7.434 -7.208) 28.826 1.986 ( 0.478 -0.863 0.055) 0.988 2.068 ( 2.410 -5.430 -4.682) 7.564 2.131 ( 1.707 -5.058 -11.328) 12.522 2.427 ( 1.035 1.309 -0.732) 1.822 2.438 ( 0.092 1.391 -0.662) 1.544 2.691 ( 7.398 -0.416 2.982) 7.987 2.842 ( 8.941 -3.921 -2.904) 10.186 3.090 ( -7.336 3.490 7.282) 10.910 3.300 ( -5.858 4.517 -0.202) 7.400 3.346 ( -4.500 1.161 -5.776) 7.414 3.494 ( -3.777 2.221 -2.313) 4.955 3.830 ( -8.607 2.965 4.143) 10.001 3.900 ( 2.147 3.915 6.507) 7.891 4.002 ( -7.355 0.942 -0.502) 7.432 4.053 ( -1.493 0.003 -4.353) 4.602 4.302 ( -2.668 1.593 1.850) 3.616 4.372 ( 0.357 -2.197 -3.383) 4.049 4.411 ( 1.037 3.031 -1.876) 3.712 4.468 ( -1.049 -0.580 1.832) 2.189 4.561 ( -5.705 5.514 -6.720) 10.397 4.659 ( -0.882 0.260 -0.342) 0.981 4.715 ( 0.678 -2.414 -0.372) 2.535 4.750 ( -1.918 2.447 1.127) 3.307 4.947 ( 0.503 -1.718 5.038) 5.346 5.143 ( -3.073 0.411 0.495) 3.140 5.329 ( -2.717 6.089 -0.030) 6.668 5.430 ( -4.530 2.265 -2.628) 5.706 5.449 ( -1.208 2.382 1.648) 3.138 5.546 ( -2.166 -2.553 -1.661) 3.738 5.579 ( -0.723 2.406 -1.476) 2.914 5.622 ( 0.345 -2.853 -0.780) 2.978 6.065 ( 1.882 2.419 2.709) 4.091 6.124 ( -0.117 -2.395 1.803) 3.000 6.178 ( -2.523 3.106 3.769) 5.497 6.322 ( 2.489 -0.636 -1.782) 3.127 6.596 ( -5.347 -0.621 7.779) 9.460 6.916 ( -7.276 6.332 1.434) 9.752 7.592 ( -1.644 2.201 1.394) 3.080 7.702 ( 2.284 6.572 0.165) 6.960 7.748 ( -1.559 -2.909 -0.021) 3.300 7.988 ( -5.885 -0.687 -9.278) 11.008 8.691 ( 3.988 -5.372 3.804) 7.696 8.915 ( 2.065 -1.036 -2.483) 3.392 9.088 ( 2.545 1.919 0.208) 3.194 9.164 ( 4.139 -3.645 -0.314) 5.524 9.411 ( -1.911 0.335 -0.882) 2.131 9.542 ( 3.009 2.473 0.158) 3.898 9.723 ( 4.265 -9.508 2.336) 10.679 9.824 ( -4.492 0.936 -1.471) 4.818 9.852 ( 5.494 -6.703 -0.084) 8.667 9.903 ( 0.520 -4.952 -2.738) 5.683 10.088 ( 2.066 2.120 4.712) 5.565 10.250 ( 5.631 -6.914 -5.605) 10.532 10.257 ( 8.897 -3.452 -1.973) 9.745 10.361 ( 7.445 4.218 0.777) 8.592 10.409 ( 26.450 -9.233 -15.194) 31.870 10.512 ( 6.708 -5.139 -0.766) 8.485 11.034 ( 0.126 -0.320 -0.582) 0.676 11.082 ( 0.541 -3.979 -0.510) 4.048 11.150 ( 6.306 -0.184 -0.532) 6.331 11.163 ( 4.994 -1.659 0.298) 5.271 14.418 ( -13.189 6.639 0.198) 14.767 14.555 ( -13.216 8.330 -1.263) 15.673 14.986 ( 9.487 -3.828 3.237) 10.731 15.222 ( 25.170 -16.918 -25.459) 39.597 16.608 ( 0.016 0.515 0.321) 0.607 16.644 ( 0.380 -2.223 -0.331) 2.280 ======================= Grid point 87 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 12.045 -5.929 16.487) 21.261 1.139 ( 16.532 -7.169 11.951) 21.623 1.379 ( 8.709 -12.721 -8.782) 17.742 1.831 ( 13.605 -0.645 -9.597) 16.662 1.951 ( 1.798 -2.460 -5.742) 6.501 2.004 ( 26.677 -19.269 6.293) 33.504 2.209 ( 13.445 -8.512 -4.194) 16.457 2.322 ( 4.640 -11.524 0.994) 12.463 2.401 ( -1.446 1.233 0.857) 2.085 2.454 ( 5.411 -2.305 -1.301) 6.024 2.856 ( 9.134 2.465 3.130) 9.965 2.987 ( -2.658 1.646 4.843) 5.764 3.101 ( 6.425 -4.253 -1.826) 7.919 3.135 ( -0.510 2.990 0.054) 3.033 3.189 ( -8.403 3.232 -5.036) 10.316 3.389 ( -1.972 3.200 -3.819) 5.359 3.612 ( -10.094 5.284 0.126) 11.395 3.791 ( -9.171 2.847 3.355) 10.172 3.953 ( -0.143 2.119 5.109) 5.533 4.016 ( -2.799 -1.194 -4.031) 5.051 4.228 ( -3.953 3.141 0.987) 5.145 4.280 ( -8.227 6.346 -0.820) 10.423 4.326 ( -4.937 3.382 -4.379) 7.415 4.359 ( -3.318 2.933 0.299) 4.439 4.513 ( -0.042 -0.443 -0.754) 0.876 4.589 ( -4.103 2.092 -2.356) 5.174 4.702 ( -0.354 1.873 3.781) 4.234 4.744 ( -1.341 -1.268 0.233) 1.861 4.977 ( 0.606 0.189 1.660) 1.777 5.073 ( -4.955 -1.786 3.362) 6.249 5.213 ( -4.217 8.554 -0.981) 9.587 5.296 ( -5.309 1.151 -3.090) 6.249 5.402 ( -1.221 2.048 0.032) 2.385 5.519 ( -4.033 -3.040 3.145) 5.949 5.524 ( -0.647 4.461 -2.586) 5.197 5.654 ( 0.125 -2.351 -1.747) 2.932 6.057 ( 0.809 0.967 -3.206) 3.445 6.171 ( 2.157 0.721 3.012) 3.774 6.221 ( 5.551 -0.640 5.116) 7.576 6.357 ( 2.032 0.245 -3.842) 4.353 6.566 ( -2.539 -3.265 3.484) 5.408 6.818 ( -2.617 0.135 -0.826) 2.747 7.517 ( -4.920 3.026 2.648) 6.354 7.618 ( -3.002 7.011 -1.464) 7.766 7.718 ( -3.144 0.462 -1.382) 3.466 7.780 ( -8.247 3.190 -1.099) 8.911 8.794 ( 1.610 -4.035 1.389) 4.561 8.946 ( 2.083 1.140 0.066) 2.376 9.131 ( 3.713 0.777 -0.174) 3.798 9.214 ( -1.797 -0.578 -1.001) 2.136 9.419 ( 2.277 -2.894 0.844) 3.777 9.560 ( 0.902 1.923 -0.803) 2.271 9.714 ( -2.371 3.323 -0.329) 4.095 9.746 ( -1.827 0.980 -0.469) 2.126 9.885 ( -0.675 0.917 -0.724) 1.350 9.945 ( -6.675 0.982 0.592) 6.773 10.224 ( 2.991 -7.253 -0.776) 7.884 10.376 ( 4.515 -6.645 0.129) 8.035 10.472 ( 7.642 -6.678 3.628) 10.777 10.552 ( 15.941 -0.549 -0.435) 15.957 10.633 ( 3.297 -0.983 -1.699) 3.837 10.674 ( 1.978 -2.191 -0.071) 2.953 11.020 ( -1.285 -0.257 0.056) 1.312 11.196 ( 5.458 -6.868 -1.688) 8.934 11.317 ( 10.708 -4.340 0.550) 11.567 11.407 ( 17.794 -4.151 -1.381) 18.324 14.019 ( -20.753 11.229 0.662) 23.605 14.125 ( -21.597 12.448 -0.622) 24.935 15.291 ( 16.221 -4.686 10.537) 19.903 15.627 ( 14.294 -10.625 -22.783) 28.918 16.621 ( 1.132 -1.415 0.449) 1.867 16.672 ( -0.183 -2.839 -0.865) 2.973 ======================= Grid point 88 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 8.398 -3.785 14.283) 16.996 1.540 ( 15.676 -6.754 4.830) 17.739 1.630 ( 8.726 -8.927 -5.467) 13.628 1.865 ( 1.439 -0.771 -13.558) 13.656 1.957 ( 0.008 0.536 -0.145) 0.555 2.325 ( -1.958 1.092 0.563) 2.312 2.396 ( 1.929 -1.530 1.032) 2.670 2.469 ( 5.290 -6.576 -1.475) 8.567 2.721 ( 19.344 -16.099 1.680) 25.223 2.810 ( 10.753 -8.379 -0.125) 13.633 2.826 ( -0.952 1.811 0.235) 2.059 2.940 ( -7.293 3.632 -2.604) 8.554 2.983 ( -0.480 4.070 4.356) 5.981 3.101 ( 3.877 -0.463 2.162) 4.464 3.253 ( 3.284 4.159 -0.674) 5.342 3.397 ( 1.533 0.667 -8.010) 8.182 3.559 ( 10.210 -5.960 1.059) 11.870 3.620 ( -8.924 -0.555 3.755) 9.698 3.885 ( -5.858 4.416 3.045) 7.943 3.941 ( -4.224 1.233 -0.123) 4.402 4.056 ( -5.323 5.489 -3.040) 8.228 4.155 ( -6.018 0.761 -2.230) 6.462 4.214 ( 1.433 4.923 0.490) 5.151 4.269 ( -5.756 -1.686 1.285) 6.133 4.460 ( -3.210 3.716 -2.587) 5.550 4.556 ( 2.687 1.531 0.537) 3.139 4.658 ( -8.068 0.502 -0.141) 8.085 4.710 ( 0.578 1.000 3.170) 3.374 4.954 ( -6.813 3.066 1.549) 7.630 5.004 ( -4.170 -0.416 2.446) 4.852 5.061 ( -0.988 3.219 -1.442) 3.663 5.200 ( -2.836 3.278 -1.585) 4.615 5.359 ( -1.179 2.191 -0.851) 2.629 5.469 ( 0.733 3.772 -2.411) 4.536 5.494 ( -4.739 -4.714 4.396) 8.000 5.665 ( 0.338 -0.455 -1.654) 1.748 6.058 ( 1.373 0.655 -4.467) 4.719 6.228 ( 3.245 -0.073 2.161) 3.900 6.339 ( 5.221 1.144 2.690) 5.983 6.366 ( 1.480 0.240 -2.186) 2.651 6.570 ( -1.911 -3.223 0.511) 3.782 6.788 ( -2.304 -2.299 0.952) 3.391 7.364 ( -6.975 4.160 0.270) 8.126 7.464 ( -7.983 3.817 -0.042) 8.849 7.623 ( 0.923 3.568 0.370) 3.704 7.750 ( 0.953 -1.092 -1.061) 1.796 8.837 ( -0.527 -2.641 -2.272) 3.524 8.982 ( 2.994 1.323 4.567) 5.620 9.163 ( -3.322 -1.743 -0.753) 3.826 9.201 ( 3.537 -0.869 -0.946) 3.763 9.463 ( -1.330 -0.788 2.571) 3.000 9.566 ( 2.668 0.689 -2.373) 3.636 9.634 ( -3.018 1.598 -1.139) 3.600 9.710 ( 0.236 4.950 -0.373) 4.969 9.794 ( -6.856 2.777 1.126) 7.482 9.837 ( -2.012 2.894 0.214) 3.531 10.283 ( -0.062 -3.508 -0.602) 3.560 10.507 ( 1.215 -7.077 -1.236) 7.286 10.613 ( 4.693 5.971 0.676) 7.625 10.659 ( 0.937 1.957 -1.490) 2.632 10.675 ( -0.686 -0.523 1.293) 1.554 10.769 ( 3.192 -8.555 0.979) 9.183 11.036 ( 2.375 -2.620 1.030) 3.683 11.359 ( 5.447 -3.987 -1.237) 6.863 11.616 ( 16.232 -7.584 0.829) 17.936 11.821 ( 20.535 -9.203 -0.114) 22.503 13.493 ( -23.831 13.680 2.109) 27.559 13.576 ( -24.370 12.877 -1.540) 27.605 15.639 ( 13.844 -1.458 10.714) 17.567 15.847 ( 7.852 -5.961 -13.975) 17.103 16.682 ( 0.271 -2.741 -3.478) 4.437 16.685 ( 1.130 -3.189 2.612) 4.274 ======================= Grid point 89 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 1.390 1.439 8.908) 9.130 1.804 ( 5.599 -3.647 -1.309) 6.809 1.825 ( 7.331 -2.560 1.112) 7.844 1.880 ( 1.658 -2.649 -8.051) 8.636 1.948 ( -0.396 -0.852 -2.162) 2.357 2.290 ( -1.786 -0.094 2.724) 3.258 2.443 ( 3.589 0.595 -2.148) 4.225 2.588 ( 1.661 -2.666 2.029) 3.740 2.687 ( -6.312 3.359 -0.578) 7.174 2.714 ( -4.403 -1.123 -1.838) 4.902 2.838 ( -1.957 2.617 2.687) 4.230 2.981 ( -0.563 2.724 -0.447) 2.817 3.129 ( 5.043 -1.157 -5.063) 7.239 3.297 ( 6.530 -7.531 0.954) 10.013 3.309 ( 6.858 -0.152 -1.525) 7.027 3.475 ( -3.011 -4.359 5.227) 7.442 3.529 ( 3.293 1.283 -1.175) 3.725 3.733 ( -4.925 -1.836 0.072) 5.256 3.806 ( 5.617 1.334 0.748) 5.822 3.869 ( -2.653 -0.908 4.445) 5.255 3.994 ( 6.728 3.832 -4.398) 8.905 4.076 ( -3.744 -1.822 0.065) 4.164 4.137 ( -7.259 0.012 -0.351) 7.268 4.251 ( 1.292 -0.652 0.735) 1.623 4.398 ( 0.553 1.698 -0.474) 1.848 4.486 ( -5.010 3.598 -0.709) 6.209 4.604 ( 1.205 -1.130 -1.783) 2.431 4.720 ( 0.783 1.174 4.461) 4.679 4.770 ( -6.221 2.891 0.686) 6.894 4.933 ( -3.695 2.556 1.185) 4.646 5.054 ( 0.234 -0.558 -0.851) 1.044 5.131 ( -0.433 3.031 -1.443) 3.384 5.318 ( -1.014 0.876 -1.598) 2.085 5.459 ( -0.321 -0.152 1.152) 1.206 5.473 ( -2.269 -2.365 1.841) 3.759 5.676 ( 0.958 -0.323 -0.675) 1.216 6.060 ( 1.161 1.022 -4.656) 4.906 6.280 ( 1.945 0.905 -1.331) 2.524 6.334 ( -1.399 -0.341 0.006) 1.440 6.455 ( 5.749 1.709 3.113) 6.758 6.559 ( -2.569 -2.923 -2.229) 4.485 6.782 ( -1.494 -1.173 4.032) 4.457 7.242 ( -2.807 1.072 -1.410) 3.319 7.323 ( -3.539 2.083 1.089) 4.248 7.646 ( 2.651 0.943 0.768) 2.917 7.772 ( 0.159 -0.807 -1.312) 1.548 8.827 ( -1.416 -1.234 -3.465) 3.941 9.044 ( 2.552 0.547 7.031) 7.500 9.130 ( -1.931 -1.615 -2.075) 3.263 9.259 ( 1.703 -0.969 0.576) 2.042 9.455 ( 0.045 0.287 0.724) 0.780 9.542 ( -1.788 2.019 -1.455) 3.064 9.613 ( -0.218 1.021 -0.543) 1.177 9.662 ( 1.220 0.934 -0.369) 1.580 9.692 ( -2.116 2.816 0.110) 3.524 9.774 ( -2.669 0.722 0.596) 2.829 10.318 ( 0.515 -3.373 -0.752) 3.494 10.553 ( 1.112 0.177 -1.204) 1.648 10.574 ( -4.347 -0.007 3.847) 5.805 10.612 ( 0.054 6.120 -4.339) 7.502 10.698 ( 2.273 0.526 1.118) 2.587 10.848 ( -0.719 -4.713 -2.565) 5.414 11.147 ( 2.821 -4.844 4.441) 7.152 11.437 ( 1.840 0.240 -1.861) 2.628 12.019 ( 15.797 -8.899 0.559) 18.140 12.272 ( 17.646 -8.347 -0.236) 19.522 12.950 ( -20.458 13.686 2.881) 24.782 13.064 ( -16.731 6.947 -1.905) 18.216 15.821 ( 3.112 1.524 4.956) 6.048 15.968 ( 4.485 -3.440 -5.886) 8.161 16.663 ( -1.501 -0.184 -1.859) 2.396 16.775 ( 2.598 -2.974 1.270) 4.148 ======================= Grid point 90 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -6.357 6.198 6.748) 11.152 1.786 ( -9.272 6.381 -0.380) 11.262 1.850 ( -2.636 0.044 0.039) 2.637 1.938 ( 3.423 -4.008 -6.090) 8.054 1.969 ( 2.551 0.029 -1.948) 3.210 2.272 ( -1.535 -0.553 2.583) 3.055 2.431 ( -2.742 4.072 -1.419) 5.110 2.604 ( 0.667 1.430 2.111) 2.635 2.684 ( 8.271 -2.501 -0.570) 8.659 2.722 ( 0.246 -0.392 -2.528) 2.570 2.839 ( 2.466 -3.683 2.756) 5.219 2.987 ( 2.250 -0.744 0.002) 2.370 3.138 ( -1.836 5.023 -7.341) 9.082 3.265 ( -7.675 0.470 0.963) 7.750 3.299 ( -8.282 6.507 0.596) 10.549 3.408 ( -8.867 -5.642 4.003) 11.246 3.621 ( 3.741 1.990 -2.098) 4.728 3.719 ( 0.753 -3.487 2.933) 4.618 3.774 ( -2.041 -0.551 2.326) 3.143 3.858 ( -0.095 4.608 -2.161) 5.091 4.006 ( 3.464 5.069 2.937) 6.806 4.110 ( -0.195 -6.154 -2.546) 6.663 4.151 ( 1.607 -3.884 -0.778) 4.274 4.267 ( 0.053 0.482 0.523) 0.713 4.399 ( 0.670 0.452 -1.166) 1.419 4.458 ( 4.954 -2.580 0.246) 5.591 4.631 ( 2.178 -1.152 -1.946) 3.140 4.731 ( 2.227 0.891 1.814) 3.008 4.778 ( 3.706 -1.760 3.104) 5.145 4.895 ( 0.903 -0.492 2.015) 2.262 5.032 ( -0.755 1.922 -1.049) 2.316 5.132 ( 2.415 -0.299 -2.124) 3.230 5.304 ( 0.221 -0.958 -1.217) 1.564 5.458 ( -2.411 -5.072 0.933) 5.693 5.478 ( 1.074 1.454 1.640) 2.441 5.698 ( 1.054 -0.402 -0.287) 1.164 6.048 ( 0.356 1.395 -4.314) 4.548 6.245 ( -2.463 1.089 -4.652) 5.375 6.335 ( -0.610 0.441 5.628) 5.678 6.508 ( -1.353 -0.071 0.912) 1.633 6.559 ( 3.223 -1.199 -3.604) 4.982 6.763 ( -1.861 2.346 4.761) 5.624 7.256 ( 3.683 -3.561 -1.488) 5.335 7.319 ( 3.555 -0.651 1.227) 3.816 7.673 ( 0.112 -0.282 1.483) 1.514 7.750 ( -2.275 0.106 -2.024) 3.046 8.804 ( -1.175 -0.778 -2.555) 2.918 9.084 ( -0.196 0.100 6.521) 6.525 9.117 ( 0.780 0.782 -1.737) 2.058 9.275 ( 0.962 3.160 0.335) 3.320 9.462 ( -0.650 -0.688 -0.366) 1.015 9.517 ( 1.063 -1.569 -0.830) 2.069 9.594 ( -1.218 1.094 -1.051) 1.945 9.669 ( 2.787 -1.099 1.352) 3.287 9.703 ( 0.888 -1.051 -1.303) 1.895 9.763 ( 0.748 -3.281 0.742) 3.446 10.363 ( 1.577 -1.660 -1.707) 2.856 10.490 ( -5.495 0.840 5.529) 7.841 10.540 ( 0.958 5.775 -3.256) 6.699 10.573 ( 2.958 2.602 -3.185) 5.066 10.734 ( 0.129 -2.381 1.373) 2.751 10.852 ( -1.319 -1.230 -2.089) 2.760 11.213 ( -1.721 -2.596 4.702) 5.640 11.415 ( -1.859 2.639 -2.619) 4.157 12.058 ( -13.401 7.803 0.604) 15.519 12.249 ( -19.519 10.416 -0.341) 22.127 12.911 ( 21.580 -8.709 2.072) 23.363 13.093 ( 16.133 -11.000 -1.075) 19.555 15.739 ( -9.600 4.281 2.018) 10.703 16.051 ( 2.346 -3.073 -2.920) 4.845 16.633 ( -0.069 2.045 -1.149) 2.347 16.820 ( 0.146 0.216 0.532) 0.592 ======================= Grid point 91 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -10.891 7.595 10.472) 16.910 1.463 ( -15.159 11.930 1.192) 19.327 1.723 ( -9.209 2.711 -2.724) 9.979 1.997 ( 1.670 -1.243 -8.969) 9.207 2.000 ( 1.447 0.889 -0.301) 1.725 2.272 ( -0.452 -1.568 0.883) 1.856 2.341 ( -0.932 4.939 0.288) 5.034 2.535 ( -5.322 6.031 -0.924) 8.096 2.701 ( -21.329 11.663 1.487) 24.355 2.744 ( -10.903 9.570 0.858) 14.533 2.838 ( -3.103 3.670 0.493) 4.831 2.923 ( 10.439 -1.170 -2.611) 10.824 2.991 ( 2.494 -8.372 3.430) 9.385 3.126 ( -7.922 -4.665 2.341) 9.487 3.270 ( 0.443 -2.089 -0.008) 2.136 3.358 ( 1.846 -3.998 -6.764) 8.071 3.578 ( -7.763 4.342 0.076) 8.895 3.692 ( 2.021 1.447 2.989) 3.887 3.829 ( 5.179 1.015 2.737) 5.945 3.927 ( 6.532 -5.354 -1.883) 8.653 4.053 ( 2.627 -2.947 -0.202) 3.953 4.158 ( 4.266 -0.554 -1.884) 4.697 4.244 ( -0.549 -7.248 -0.481) 7.285 4.279 ( 6.210 0.245 0.808) 6.267 4.412 ( 1.511 -0.043 -1.123) 1.883 4.637 ( 8.488 -1.683 0.375) 8.662 4.675 ( 0.041 -3.960 -2.251) 4.555 4.763 ( 3.417 4.190 2.891) 6.131 4.868 ( 1.419 -3.162 3.645) 5.030 4.980 ( 3.186 -1.708 1.438) 3.891 5.024 ( 3.494 -1.626 -0.767) 3.929 5.192 ( 4.599 0.644 -2.265) 5.167 5.349 ( 2.418 -4.019 -0.681) 4.739 5.484 ( 0.123 -3.421 -1.778) 3.857 5.491 ( 0.395 -0.840 2.940) 3.083 5.710 ( 0.175 0.355 -0.424) 0.580 6.020 ( -0.580 1.055 -3.367) 3.576 6.171 ( -3.178 1.057 -2.065) 3.935 6.318 ( -1.595 2.170 5.092) 5.761 6.461 ( -4.605 -2.299 -1.509) 5.364 6.619 ( 3.313 2.078 -1.044) 4.047 6.708 ( -1.439 2.590 2.125) 3.646 7.403 ( 7.218 -3.481 0.812) 8.055 7.471 ( 9.966 -5.437 -0.516) 11.365 7.666 ( -1.784 -1.181 1.816) 2.806 7.711 ( -0.695 -0.726 -2.509) 2.703 8.788 ( -0.829 -0.627 -0.880) 1.362 9.064 ( -2.339 1.863 3.528) 4.625 9.137 ( 1.265 -1.118 -0.694) 1.825 9.249 ( 0.418 3.316 -0.908) 3.463 9.409 ( -3.793 1.034 0.897) 4.033 9.545 ( -0.236 0.280 -1.193) 1.248 9.636 ( 5.753 -1.850 -1.181) 6.157 9.719 ( 2.020 -1.090 -0.057) 2.296 9.790 ( 3.928 -3.849 1.010) 5.591 9.829 ( 1.624 -5.197 0.051) 5.445 10.356 ( -1.559 2.853 -2.726) 4.242 10.405 ( -3.929 1.216 2.815) 4.984 10.539 ( 4.878 3.946 -0.694) 6.312 10.584 ( 0.615 0.683 -1.475) 1.738 10.747 ( -1.681 -0.094 1.844) 2.497 10.805 ( -3.914 1.553 -0.147) 4.213 11.167 ( -5.962 -0.518 2.700) 6.565 11.299 ( -6.371 4.401 -2.784) 8.228 11.664 ( -16.651 10.175 0.975) 19.538 11.770 ( -19.666 10.361 -0.327) 22.231 13.487 ( 26.138 -13.464 1.890) 29.463 13.582 ( 22.512 -12.859 -1.321) 25.959 15.448 ( -15.349 7.751 2.493) 17.375 16.079 ( -1.934 -2.870 -5.505) 6.502 16.614 ( 0.589 2.190 -0.357) 2.296 16.779 ( -2.274 3.232 -0.843) 4.040 ======================= Grid point 92 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -13.609 6.296 18.186) 23.571 1.049 ( -15.255 15.987 5.357) 22.738 1.479 ( -12.588 3.204 -6.286) 14.431 1.887 ( -12.754 10.372 -5.410) 17.306 1.928 ( -30.476 16.974 1.558) 34.919 2.020 ( -0.183 1.156 -5.154) 5.285 2.233 ( -11.502 5.270 -0.112) 12.653 2.275 ( -0.802 10.988 0.475) 11.028 2.383 ( -2.346 -0.427 0.231) 2.396 2.460 ( -3.286 2.295 -0.803) 4.088 2.875 ( -7.726 -2.493 3.082) 8.684 2.954 ( -0.965 -1.356 3.168) 3.578 3.121 ( -6.869 1.744 -1.530) 7.250 3.187 ( 5.242 -5.579 0.235) 7.659 3.211 ( 6.185 -2.301 -2.015) 6.900 3.353 ( 2.447 0.110 -5.739) 6.240 3.652 ( 9.259 -8.575 -1.252) 12.682 3.786 ( 5.131 -1.185 5.241) 7.429 3.884 ( 3.594 2.626 1.511) 4.700 4.105 ( 6.668 -3.740 -0.223) 7.648 4.147 ( 2.740 -5.352 -1.640) 6.232 4.237 ( 2.660 -1.090 0.099) 2.877 4.278 ( 2.384 -2.752 -1.446) 3.918 4.412 ( 1.874 -1.764 -3.408) 4.271 4.500 ( 8.666 -3.145 2.179) 9.473 4.677 ( -0.585 -0.825 -4.344) 4.460 4.758 ( 1.438 -1.914 3.359) 4.125 4.811 ( 6.390 3.321 0.880) 7.255 4.921 ( -0.923 -3.570 3.092) 4.812 5.009 ( 1.639 -2.459 0.199) 2.962 5.181 ( 7.460 -2.211 0.332) 7.788 5.256 ( 4.242 0.892 0.061) 4.335 5.438 ( 3.413 -2.084 -3.529) 5.334 5.515 ( 1.083 0.376 1.937) 2.251 5.531 ( 0.756 -5.435 -1.429) 5.670 5.693 ( -1.117 0.788 -0.181) 1.379 5.995 ( -0.860 -0.355 -1.136) 1.468 6.108 ( -1.970 1.337 0.808) 2.515 6.273 ( -1.498 3.101 3.701) 5.056 6.385 ( -6.189 -2.639 -2.296) 7.109 6.602 ( -0.793 3.609 5.720) 6.810 6.713 ( 3.048 1.002 -3.303) 4.604 7.554 ( 4.832 -3.081 2.878) 6.413 7.651 ( 0.474 -2.400 -1.497) 2.868 7.734 ( 4.149 -0.958 0.094) 4.259 7.771 ( 11.412 -8.136 -2.692) 14.272 8.777 ( -1.676 -0.795 1.207) 2.213 8.997 ( -2.523 3.658 0.338) 4.457 9.148 ( -2.575 -2.109 -0.060) 3.329 9.213 ( -1.471 1.854 -1.210) 2.658 9.361 ( -0.497 -0.252 0.505) 0.752 9.536 ( 1.066 1.506 -0.128) 1.850 9.748 ( 6.078 0.115 -1.329) 6.223 9.794 ( 4.475 -1.040 -2.501) 5.231 9.822 ( -3.312 -4.761 2.676) 6.388 9.946 ( 4.881 -0.810 -0.142) 4.950 10.268 ( -3.354 2.164 -1.952) 4.443 10.351 ( -2.656 0.755 1.318) 3.060 10.464 ( -12.893 6.643 3.184) 14.849 10.570 ( -6.455 6.390 -0.576) 9.101 10.650 ( -0.886 0.897 -0.275) 1.290 10.675 ( -6.605 5.900 -0.819) 8.894 11.079 ( -5.387 -3.136 1.787) 6.484 11.126 ( -4.399 3.277 -3.652) 6.590 11.332 ( -9.832 8.822 1.629) 13.310 11.384 ( -13.159 6.772 -2.387) 14.990 14.056 ( 21.474 -12.194 2.078) 24.782 14.092 ( 20.972 -11.042 -2.040) 23.788 15.120 ( -11.709 8.178 2.314) 14.469 15.960 ( -10.978 1.115 -15.682) 19.175 16.606 ( 0.344 0.993 0.273) 1.086 16.696 ( -1.982 3.544 -1.130) 4.214 ======================= Grid point 93 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -13.423 18.413 10.103) 24.925 0.811 ( -14.047 4.525 26.902) 30.684 1.106 ( -35.665 15.714 14.771) 41.679 1.214 ( -11.826 -0.208 -9.698) 15.295 1.415 ( -17.415 18.489 -8.525) 26.792 1.962 ( -2.164 2.654 1.733) 3.838 2.093 ( -3.337 4.750 -1.740) 6.060 2.191 ( 3.119 3.148 -11.651) 12.466 2.409 ( 0.369 -2.309 -1.363) 2.707 2.426 ( -0.951 -1.092 -0.382) 1.498 2.702 ( -8.918 1.326 1.899) 9.213 2.870 ( -8.334 3.498 -2.253) 9.315 3.070 ( 5.625 -3.682 7.525) 10.091 3.334 ( 3.387 -6.229 -1.077) 7.171 3.393 ( 3.001 -0.640 -2.927) 4.240 3.425 ( 9.541 -1.431 -3.781) 10.362 3.817 ( 0.451 -4.226 3.257) 5.355 3.891 ( 3.149 -0.280 6.007) 6.788 3.988 ( 8.799 -0.407 -0.695) 8.836 4.150 ( -2.036 -2.929 -3.031) 4.681 4.272 ( 4.196 -3.572 2.271) 5.960 4.319 ( 4.031 -3.132 -3.516) 6.199 4.339 ( 3.090 -0.133 -0.920) 3.227 4.433 ( 1.637 2.079 -1.394) 2.991 4.645 ( -2.916 -4.425 -4.729) 7.103 4.656 ( 5.657 2.452 -0.605) 6.195 4.765 ( -3.051 0.218 0.269) 3.071 4.886 ( 2.574 1.186 -4.619) 5.419 4.932 ( -2.753 -4.207 7.389) 8.937 5.097 ( 3.921 -1.686 1.296) 4.460 5.299 ( 4.614 -1.798 1.312) 5.123 5.340 ( 5.317 0.077 1.083) 5.427 5.467 ( 1.440 0.573 -4.899) 5.138 5.545 ( 2.721 0.511 -0.138) 2.772 5.599 ( 0.264 -4.779 -0.571) 4.820 5.659 ( -2.016 0.517 -0.490) 2.138 5.993 ( -0.509 -0.915 2.645) 2.844 6.120 ( 4.734 -1.633 5.551) 7.476 6.236 ( -0.633 2.236 2.753) 3.603 6.290 ( -5.250 -1.289 -2.728) 6.055 6.605 ( 1.033 0.164 9.606) 9.663 6.763 ( 6.138 0.699 0.049) 6.178 7.650 ( 1.778 -2.886 2.726) 4.350 7.671 ( -1.363 -3.728 -1.556) 4.263 7.778 ( 1.125 4.510 1.318) 4.831 8.047 ( 8.573 -7.130 -9.957) 14.949 8.727 ( -6.572 -0.449 4.277) 7.855 8.915 ( -0.175 5.965 -3.377) 6.856 9.101 ( -3.447 -0.978 0.473) 3.615 9.150 ( -2.735 2.082 -0.499) 3.473 9.397 ( 1.388 -3.676 -0.606) 3.976 9.553 ( 2.786 2.810 0.032) 3.957 9.759 ( -11.555 -0.318 2.387) 11.804 9.837 ( 1.121 3.034 -0.672) 3.303 9.877 ( 3.114 -0.307 -2.708) 4.138 9.948 ( -16.509 4.855 3.541) 17.569 9.964 ( 2.005 8.081 -2.885) 8.812 10.217 ( -2.127 -2.417 -2.316) 3.965 10.343 ( -2.539 -0.259 -0.950) 2.723 10.398 ( -5.071 5.348 -0.112) 7.371 10.434 ( -7.070 8.192 0.989) 10.867 10.516 ( -20.166 8.636 -22.443) 31.383 11.052 ( -1.642 -2.594 0.090) 3.072 11.082 ( -0.257 -0.622 -1.320) 1.481 11.145 ( -4.142 5.439 -0.647) 6.867 11.153 ( -4.563 4.089 0.136) 6.129 14.465 ( 11.595 -7.249 2.241) 13.857 14.504 ( 14.867 -6.908 -3.563) 16.777 14.914 ( -4.495 4.556 -0.177) 6.402 15.465 ( -32.083 14.113 -31.887) 47.384 16.608 ( 0.134 -0.303 0.335) 0.471 16.644 ( -0.587 2.066 -0.386) 2.182 ======================= Grid point 95 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 11.579 0.000 19.307) 22.514 1.060 ( 19.561 0.000 11.125) 22.504 1.218 ( 12.503 0.000 -9.436) 15.664 1.737 ( 37.576 0.000 7.852) 38.388 1.853 ( 18.564 0.000 -13.365) 22.875 1.983 ( 2.705 0.000 -3.215) 4.202 2.125 ( 6.477 0.000 2.475) 6.934 2.126 ( 9.757 0.000 -5.241) 11.076 2.419 ( -2.621 -0.000 -0.124) 2.624 2.458 ( 2.357 0.000 -1.084) 2.594 2.904 ( 13.528 0.000 2.353) 13.731 2.969 ( -0.957 -0.000 2.792) 2.952 3.048 ( 7.703 0.000 1.312) 7.814 3.191 ( -6.923 -0.000 -0.677) 6.956 3.220 ( -8.111 -0.000 -5.920) 10.041 3.425 ( -3.779 -0.000 -1.720) 4.152 3.675 ( -11.533 -0.000 2.156) 11.733 3.811 ( -12.622 -0.000 0.442) 12.630 3.990 ( 2.187 0.000 6.876) 7.216 4.000 ( -2.534 -0.000 -4.032) 4.763 4.266 ( -5.315 -0.000 -3.509) 6.369 4.318 ( -2.823 -0.000 0.630) 2.893 4.379 ( -9.003 -0.000 -4.367) 10.006 4.395 ( -6.565 -0.000 1.537) 6.742 4.491 ( -0.791 -0.000 0.118) 0.799 4.624 ( 1.257 0.000 -7.165) 7.274 4.720 ( -0.976 -0.000 0.162) 0.989 4.765 ( -2.139 -0.000 6.956) 7.277 4.947 ( -0.455 -0.000 6.426) 6.442 5.056 ( -5.859 -0.000 -0.609) 5.891 5.293 ( -3.345 -0.000 -0.571) 3.394 5.394 ( -4.736 -0.000 0.969) 4.834 5.413 ( -6.293 -0.000 -3.319) 7.115 5.427 ( -0.783 -0.000 -2.478) 2.599 5.579 ( -0.374 -0.000 -1.700) 1.741 5.617 ( -0.157 -0.000 1.170) 1.181 6.071 ( -0.687 -0.000 -2.843) 2.925 6.169 ( 1.877 0.000 5.576) 5.883 6.219 ( 5.295 0.000 6.205) 8.158 6.360 ( 3.300 0.000 -5.924) 6.781 6.527 ( -2.890 -0.000 3.742) 4.728 6.825 ( -4.793 -0.000 -1.912) 5.161 7.557 ( -5.350 -0.000 3.509) 6.398 7.709 ( -0.891 -0.000 -0.903) 1.269 7.754 ( -1.884 -0.000 1.049) 2.157 7.778 ( -12.437 -0.000 -5.338) 13.534 8.734 ( 2.584 0.000 1.527) 3.002 8.959 ( 2.496 0.000 -0.350) 2.520 9.150 ( 2.297 0.000 -0.275) 2.314 9.203 ( 0.058 0.000 -1.000) 1.002 9.390 ( 1.743 0.000 1.794) 2.501 9.583 ( -2.070 -0.000 1.640) 2.641 9.727 ( -5.838 -0.000 -2.760) 6.457 9.852 ( 0.806 0.000 0.084) 0.811 9.852 ( 2.958 0.000 -2.662) 3.980 9.871 ( 4.418 0.000 -2.298) 4.980 10.182 ( 5.006 0.000 4.061) 6.446 10.219 ( 1.373 0.000 1.199) 1.823 10.390 ( 4.245 0.000 -0.284) 4.254 10.605 ( 17.902 0.000 -2.207) 18.038 10.621 ( 8.769 0.000 3.200) 9.335 10.671 ( 5.928 0.000 -4.656) 7.538 11.054 ( 0.268 0.000 2.738) 2.751 11.082 ( 3.865 0.000 -1.864) 4.291 11.264 ( 8.380 0.000 1.660) 8.543 11.373 ( 17.352 0.000 -3.893) 17.783 14.134 ( -22.006 -0.000 0.252) 22.007 14.257 ( -23.563 -0.000 -0.585) 23.570 15.247 ( 19.233 0.000 10.408) 21.868 15.506 ( 21.533 0.000 -25.895) 33.678 16.608 ( -0.297 -0.000 -0.842) 0.893 16.631 ( -0.539 -0.000 0.783) 0.950 ======================= Grid point 96 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 13.107 -1.611 13.234) 18.696 1.441 ( 18.021 -2.530 7.705) 19.762 1.463 ( 13.360 -5.224 -5.352) 15.311 1.861 ( -0.173 0.148 -16.310) 16.311 2.018 ( 1.475 4.267 1.473) 4.749 2.266 ( 3.909 -5.781 -1.362) 7.111 2.358 ( 0.693 -0.623 2.565) 2.729 2.407 ( 15.858 -2.302 -2.444) 16.210 2.446 ( 17.714 -6.831 0.843) 19.005 2.617 ( 19.125 -5.456 0.839) 19.906 2.869 ( -7.429 1.088 2.589) 7.942 2.996 ( -9.551 1.574 -1.427) 9.785 3.046 ( -2.674 1.696 2.852) 4.262 3.133 ( 3.070 1.412 0.589) 3.430 3.321 ( 12.322 1.884 -0.232) 12.468 3.409 ( 3.580 0.016 -5.991) 6.979 3.490 ( -3.063 -0.801 0.756) 3.255 3.593 ( -12.223 -1.446 2.185) 12.501 3.930 ( -5.116 0.107 -2.684) 5.779 4.006 ( -0.965 4.305 6.030) 7.472 4.117 ( -8.341 1.277 -2.488) 8.797 4.179 ( -9.641 0.471 -2.656) 10.011 4.202 ( -9.515 -2.222 -1.905) 9.955 4.330 ( 0.854 3.156 0.325) 3.286 4.491 ( -0.325 -0.548 1.748) 1.860 4.598 ( -1.497 3.008 -4.919) 5.957 4.689 ( -0.862 0.859 0.182) 1.230 4.747 ( -0.764 1.627 6.966) 7.194 4.946 ( -6.218 -0.605 2.525) 6.738 4.973 ( -1.059 -2.147 0.224) 2.405 5.209 ( -5.830 8.473 -0.882) 10.323 5.242 ( -1.757 0.923 -1.035) 2.238 5.373 ( -6.319 -7.015 2.458) 9.756 5.412 ( 0.520 1.935 -2.948) 3.564 5.543 ( -0.618 3.255 -2.318) 4.043 5.626 ( -0.750 -2.707 0.332) 2.828 6.062 ( 0.752 -0.066 -4.145) 4.213 6.215 ( 1.608 -0.642 5.132) 5.417 6.358 ( 7.249 0.366 6.543) 9.772 6.377 ( 0.303 0.573 -5.134) 5.175 6.521 ( 0.204 -1.296 0.148) 1.320 6.744 ( -4.170 -1.290 -2.520) 5.040 7.444 ( -6.255 2.484 2.747) 7.270 7.532 ( -10.354 2.215 -1.776) 10.736 7.696 ( -0.206 2.281 -0.431) 2.331 7.729 ( -0.450 -0.367 -0.108) 0.591 8.780 ( 0.842 -2.093 0.281) 2.274 8.984 ( 0.234 -0.376 0.456) 0.635 9.142 ( -4.726 -0.155 -0.630) 4.770 9.172 ( -0.395 -1.381 0.923) 1.708 9.465 ( 3.247 0.946 1.662) 3.768 9.546 ( -0.922 -2.229 -1.506) 2.843 9.638 ( -3.653 -0.461 -1.626) 4.025 9.822 ( 0.442 4.450 -1.633) 4.761 9.834 ( -6.686 1.288 1.374) 6.946 9.871 ( -2.038 -0.007 -0.105) 2.041 10.222 ( 0.913 0.653 0.419) 1.198 10.345 ( 2.820 -7.667 3.817) 9.017 10.502 ( 6.004 -5.393 -5.272) 9.640 10.670 ( -2.207 -0.765 5.334) 5.823 10.783 ( 9.835 5.705 -3.370) 11.859 10.845 ( 11.753 4.020 -6.729) 14.127 11.050 ( 2.525 6.261 4.201) 7.951 11.232 ( 6.652 -8.518 3.498) 11.359 11.475 ( 11.811 -5.200 2.373) 13.121 11.690 ( 17.806 -3.047 -2.266) 18.207 13.680 ( -25.899 4.558 1.746) 26.355 13.763 ( -27.983 4.924 -1.605) 28.458 15.651 ( 20.427 1.341 13.030) 24.266 15.779 ( 15.752 -1.189 -18.906) 24.638 16.608 ( -0.468 -2.714 -1.366) 3.074 16.623 ( -2.017 -2.352 1.043) 3.269 ======================= Grid point 97 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 9.326 2.687 10.909) 14.601 1.717 ( 10.611 -4.725 -3.919) 12.259 1.773 ( 13.435 -1.939 3.572) 14.036 1.833 ( 1.695 -1.272 -12.267) 12.448 1.986 ( -0.520 3.824 1.214) 4.045 2.272 ( -3.253 -1.696 0.018) 3.669 2.427 ( 3.041 -2.793 1.452) 4.377 2.508 ( 4.607 -2.237 -2.883) 5.877 2.720 ( -6.051 0.914 -0.153) 6.122 2.763 ( -10.505 2.913 -0.251) 10.905 2.806 ( 2.975 -5.372 -1.194) 6.256 2.998 ( 4.211 -7.643 3.841) 9.535 3.055 ( 2.046 2.436 -1.485) 3.511 3.176 ( 10.957 -2.858 3.821) 11.951 3.313 ( -0.158 0.827 -5.894) 5.954 3.397 ( -8.680 -2.882 3.746) 9.883 3.558 ( 8.704 1.675 -0.460) 8.875 3.688 ( 3.900 -3.167 0.708) 5.073 3.799 ( -1.064 0.137 0.201) 1.092 3.902 ( -6.780 3.381 2.603) 8.011 3.982 ( -6.004 -2.667 -1.971) 6.859 4.056 ( 0.666 1.925 -1.321) 2.428 4.128 ( -4.483 -4.121 -0.442) 6.106 4.344 ( 4.393 6.351 -0.545) 7.742 4.459 ( -1.444 3.635 -1.397) 4.153 4.541 ( -0.860 -0.366 -1.437) 1.715 4.643 ( -0.005 5.425 -0.212) 5.430 4.757 ( 1.772 1.510 4.825) 5.358 4.821 ( -7.681 2.274 2.677) 8.446 4.966 ( -2.571 -1.783 -0.838) 3.239 5.058 ( -3.010 4.036 -0.078) 5.035 5.200 ( -0.437 2.800 -1.537) 3.224 5.338 ( -4.695 -4.774 0.396) 6.707 5.381 ( -1.529 1.903 1.559) 2.897 5.507 ( 0.747 2.050 -2.339) 3.199 5.641 ( -0.836 -2.946 -0.037) 3.062 6.068 ( 1.081 -0.103 -5.055) 5.170 6.270 ( 1.505 -1.384 5.279) 5.661 6.336 ( -2.731 0.052 -3.237) 4.235 6.485 ( 5.895 1.256 4.244) 7.371 6.523 ( -1.202 0.088 -2.829) 3.075 6.714 ( -1.486 -4.563 0.439) 4.819 7.319 ( -3.439 5.076 0.452) 6.148 7.379 ( -3.595 2.625 0.431) 4.472 7.675 ( 0.351 1.703 0.599) 1.839 7.740 ( -0.335 -2.089 -1.109) 2.389 8.799 ( -0.462 -1.113 -1.610) 2.011 8.997 ( -1.148 -4.075 2.203) 4.772 9.075 ( -3.456 -1.868 -0.247) 3.936 9.180 ( -2.288 -5.284 1.463) 5.941 9.480 ( 1.442 1.354 -0.820) 2.141 9.574 ( -0.811 0.026 -1.571) 1.769 9.607 ( 0.769 -1.390 -0.408) 1.641 9.682 ( -6.840 1.262 2.025) 7.245 9.755 ( -3.650 2.542 -1.690) 4.758 9.804 ( -4.584 1.667 1.214) 5.026 10.245 ( 1.485 -1.980 0.584) 2.543 10.445 ( -0.151 -4.482 2.167) 4.980 10.563 ( -0.369 0.002 -1.033) 1.097 10.697 ( 2.192 -1.137 -1.266) 2.775 10.823 ( 3.592 7.137 -4.021) 8.945 10.951 ( 10.043 8.689 -5.290) 14.296 11.079 ( 4.718 2.629 6.182) 8.210 11.426 ( 6.318 -2.606 2.216) 7.185 11.791 ( 13.009 -11.500 2.039) 17.483 12.073 ( 18.366 -9.637 -0.942) 20.763 13.170 ( -25.672 7.630 1.582) 26.829 13.204 ( -25.361 5.518 -1.498) 25.998 15.923 ( 10.351 6.869 2.995) 12.779 15.973 ( 11.759 3.462 -4.692) 13.125 16.608 ( -2.357 -4.346 -1.969) 5.322 16.664 ( 0.438 -7.001 1.567) 7.187 ======================= Grid point 98 (38/95) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -0.024 9.562 7.861) 12.379 1.854 ( 1.587 -0.998 -7.006) 7.253 1.868 ( 4.012 -0.946 -2.554) 4.849 1.911 ( -0.782 5.067 0.797) 5.189 1.979 ( 4.657 0.747 -0.623) 4.758 2.245 ( -2.012 -2.048 1.683) 3.328 2.477 ( -1.361 -0.069 -1.017) 1.700 2.612 ( 1.825 -0.831 2.028) 2.852 2.631 ( 2.290 -2.942 -0.718) 3.797 2.650 ( -0.348 -2.864 -1.342) 3.183 2.842 ( -0.242 0.710 2.335) 2.452 2.942 ( -2.836 -2.418 -0.071) 3.728 3.151 ( 1.322 -1.634 -7.861) 8.137 3.282 ( -9.575 -4.715 5.689) 12.095 3.297 ( -2.012 -1.080 -1.686) 2.839 3.380 ( 0.706 1.064 0.998) 1.621 3.548 ( -4.126 -6.556 -1.164) 7.833 3.733 ( 0.177 -3.819 2.976) 4.845 3.758 ( -2.187 5.733 1.194) 6.251 3.939 ( 3.939 -1.035 -1.547) 4.357 3.964 ( -0.433 -0.499 2.038) 2.142 4.088 ( 3.133 -0.501 -0.980) 3.321 4.106 ( -0.084 -0.679 0.153) 0.701 4.277 ( -0.583 2.938 0.252) 3.005 4.452 ( 2.988 5.292 -1.415) 6.240 4.549 ( 1.694 8.476 0.594) 8.664 4.621 ( 4.049 -0.683 -2.614) 4.867 4.703 ( -1.797 -0.799 1.011) 2.211 4.809 ( 4.787 2.356 3.855) 6.582 4.906 ( -2.662 1.085 0.700) 2.959 5.028 ( -0.726 -2.097 -0.783) 2.354 5.162 ( 0.637 3.264 -2.360) 4.078 5.317 ( -0.640 -0.871 -1.351) 1.730 5.341 ( -4.026 -3.245 3.267) 6.116 5.503 ( 0.651 1.031 -0.474) 1.308 5.661 ( -0.488 -3.246 0.019) 3.282 6.065 ( 0.447 0.404 -5.358) 5.392 6.264 ( -3.304 0.336 -2.254) 4.014 6.326 ( 0.576 -1.156 5.792) 5.934 6.467 ( -4.178 -1.726 -3.401) 5.657 6.572 ( 4.946 1.126 0.308) 5.081 6.763 ( 0.320 -2.771 3.863) 4.765 7.251 ( 1.342 3.234 -0.502) 3.537 7.349 ( 3.288 3.269 0.320) 4.647 7.668 ( -1.063 -0.428 1.350) 1.771 7.733 ( -2.607 -1.935 -1.804) 3.714 8.788 ( -0.738 -0.525 -1.393) 1.661 9.030 ( -2.836 -5.014 4.054) 7.044 9.063 ( -0.644 -4.461 -2.069) 4.960 9.229 ( 0.156 -7.069 1.600) 7.249 9.469 ( -0.312 1.955 -0.743) 2.115 9.541 ( -0.721 2.577 -1.850) 3.253 9.593 ( -1.864 -1.377 -0.151) 2.322 9.648 ( -3.005 -0.235 1.402) 3.324 9.677 ( 0.618 -2.511 -1.805) 3.154 9.724 ( -3.098 -0.459 1.772) 3.598 10.301 ( 0.199 -3.259 2.352) 4.024 10.454 ( -1.294 -1.034 2.698) 3.166 10.551 ( -0.191 0.356 -3.450) 3.473 10.711 ( 4.821 7.535 -8.231) 12.156 10.792 ( 0.211 2.715 2.897) 3.976 10.989 ( 6.526 9.781 -2.918) 12.115 11.158 ( 2.924 1.540 6.775) 7.538 11.506 ( 3.960 5.037 -0.896) 6.470 12.070 ( -0.975 -7.819 0.832) 7.923 12.360 ( -7.864 -0.226 -0.245) 7.871 12.774 ( -0.497 -4.964 -0.320) 4.999 12.903 ( -1.351 -4.458 0.585) 4.695 15.913 ( -1.179 12.089 3.331) 12.595 16.072 ( 6.374 4.906 -3.887) 8.934 16.618 ( -0.719 -3.609 -2.121) 4.248 16.752 ( -0.036 -6.661 1.609) 6.853 ======================= Grid point 99 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -7.342 12.383 8.049) 16.494 1.708 ( -9.670 11.403 1.799) 15.059 1.800 ( -5.458 4.756 -2.243) 7.579 1.947 ( 3.929 -2.842 -6.301) 7.950 2.032 ( 3.545 1.836 -2.898) 4.933 2.250 ( -0.014 -1.171 1.675) 2.044 2.408 ( -2.647 2.418 0.402) 3.608 2.661 ( 2.677 2.120 3.798) 5.108 2.714 ( 1.220 -2.429 -2.026) 3.390 2.807 ( 9.512 -5.965 -2.203) 11.442 2.829 ( -0.882 -2.951 1.150) 3.288 2.958 ( -5.060 0.084 1.230) 5.208 3.044 ( -15.672 2.068 1.972) 15.931 3.089 ( -7.872 8.496 -4.686) 12.494 3.255 ( -3.010 2.812 1.292) 4.317 3.263 ( -0.001 -4.353 -2.396) 4.969 3.625 ( -0.315 -2.794 0.320) 2.830 3.725 ( 2.069 -0.869 3.586) 4.230 3.830 ( -4.193 3.058 -2.374) 5.707 3.842 ( 4.634 -5.556 0.549) 7.255 3.995 ( 1.473 1.144 2.287) 2.951 4.086 ( -1.881 -5.003 -1.258) 5.491 4.192 ( 4.266 1.697 1.433) 4.810 4.304 ( 0.660 -1.012 -2.217) 2.525 4.437 ( 2.124 3.298 1.262) 4.121 4.502 ( 1.723 -2.025 -0.802) 2.777 4.726 ( 4.976 1.437 -1.350) 5.352 4.764 ( 4.379 -1.896 1.178) 4.916 4.865 ( 3.347 1.355 -0.319) 3.625 4.935 ( 4.112 -1.914 3.145) 5.520 5.020 ( -0.159 0.999 0.030) 1.012 5.181 ( 3.960 -1.258 -3.486) 5.424 5.311 ( 0.317 0.172 0.763) 0.844 5.351 ( -2.028 -6.971 1.314) 7.378 5.502 ( 0.139 0.172 0.565) 0.607 5.685 ( -0.541 -2.914 -0.158) 2.968 6.039 ( -0.856 0.908 -5.149) 5.298 6.200 ( -2.292 1.190 -1.241) 2.865 6.342 ( -1.501 0.210 5.369) 5.579 6.405 ( -4.166 -2.631 -3.293) 5.926 6.650 ( 5.104 0.717 -1.474) 5.360 6.765 ( -2.246 1.771 5.088) 5.837 7.318 ( 6.614 -2.852 -1.802) 7.425 7.422 ( 6.589 0.500 1.056) 6.691 7.651 ( -1.943 -0.692 3.034) 3.669 7.689 ( -2.633 -1.528 -3.731) 4.816 8.785 ( 0.403 0.065 0.356) 0.542 9.020 ( -4.272 -4.303 2.117) 6.422 9.104 ( 0.309 -3.345 -1.530) 3.692 9.288 ( -0.768 -1.582 0.075) 1.760 9.442 ( -1.250 1.765 0.665) 2.262 9.526 ( 1.324 -2.068 -0.495) 2.505 9.587 ( 1.855 -1.713 -1.712) 3.050 9.648 ( -1.900 -4.677 -0.790) 5.110 9.732 ( 0.574 -3.472 1.241) 3.732 9.741 ( 4.457 -1.881 1.104) 4.962 10.301 ( -5.745 -5.166 3.718) 8.575 10.468 ( 3.072 5.303 -2.052) 6.463 10.530 ( -0.051 -1.777 -1.238) 2.166 10.682 ( 3.304 7.812 -6.748) 10.839 10.792 ( 0.476 1.493 2.679) 3.103 10.974 ( 3.040 9.275 1.578) 9.888 11.165 ( -1.404 4.075 6.322) 7.651 11.461 ( 0.580 10.197 -4.727) 11.254 11.832 ( -19.453 6.532 -2.457) 20.667 11.961 ( -20.385 7.083 1.891) 21.663 13.153 ( 19.017 -18.048 3.188) 26.410 13.255 ( 18.456 -18.585 -2.040) 26.272 15.689 ( -8.314 15.433 4.790) 18.172 16.092 ( 2.429 3.922 -5.818) 7.425 16.629 ( -0.477 -1.266 -1.079) 1.731 16.783 ( -2.366 -2.874 0.143) 3.725 ======================= Grid point 100 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -10.871 12.041 12.625) 20.556 1.382 ( -11.905 15.750 5.764) 20.567 1.587 ( -9.672 7.197 -6.125) 13.523 1.997 ( 2.193 -0.418 -10.945) 11.171 2.064 ( 3.842 3.870 -2.024) 5.817 2.275 ( 1.268 0.138 1.440) 1.923 2.356 ( -4.013 5.722 1.045) 7.066 2.411 ( -17.346 19.123 0.003) 25.818 2.555 ( -14.378 14.210 3.720) 20.555 2.671 ( -6.845 14.530 -0.769) 16.080 2.822 ( -2.703 -3.341 3.767) 5.715 2.912 ( -3.974 -1.107 1.847) 4.520 2.963 ( 2.593 -9.253 0.802) 9.643 3.086 ( 10.350 -7.465 -4.308) 13.469 3.274 ( -1.394 2.190 -0.508) 2.645 3.356 ( 1.691 -1.946 -6.658) 7.139 3.501 ( -1.971 -1.004 0.515) 2.271 3.750 ( 3.163 -1.537 5.423) 6.463 3.912 ( 3.817 -2.168 -0.045) 4.390 4.012 ( 6.300 -6.636 -0.335) 9.156 4.040 ( 3.986 -1.474 0.151) 4.253 4.154 ( -0.401 -8.467 -1.152) 8.555 4.234 ( 1.570 -2.598 1.963) 3.615 4.320 ( 3.250 -2.250 -3.206) 5.090 4.476 ( 2.696 -0.385 0.718) 2.817 4.592 ( 1.789 -5.436 -1.195) 5.846 4.749 ( -1.293 -1.386 1.922) 2.699 4.852 ( 4.333 0.959 0.801) 4.510 4.909 ( 2.964 2.240 -2.045) 4.241 4.987 ( 1.928 0.308 1.010) 2.198 5.100 ( 5.487 -4.258 0.163) 6.947 5.253 ( 1.489 -2.299 0.833) 2.863 5.375 ( 4.609 -3.727 0.308) 5.935 5.394 ( -0.421 -5.642 -1.514) 5.857 5.514 ( 0.200 -1.107 1.424) 1.815 5.691 ( -1.550 -1.577 -0.331) 2.236 5.996 ( -1.147 0.706 -3.890) 4.116 6.151 ( -0.963 2.436 -0.367) 2.645 6.308 ( -3.979 -1.839 0.918) 4.479 6.348 ( -2.773 1.073 0.385) 2.998 6.690 ( -1.886 4.216 5.002) 6.808 6.730 ( 3.043 0.386 -1.270) 3.320 7.482 ( 5.749 -4.233 0.075) 7.140 7.581 ( 8.280 -6.626 -0.302) 10.609 7.642 ( -0.240 -0.321 -1.220) 1.284 7.686 ( 1.401 -3.472 -0.190) 3.749 8.795 ( 0.823 1.746 2.293) 2.997 8.990 ( -3.108 -2.834 -0.800) 4.282 9.120 ( -0.772 -0.956 -0.240) 1.253 9.249 ( -2.526 1.320 -0.200) 2.857 9.417 ( 2.227 3.432 -1.869) 4.498 9.565 ( 2.028 1.691 0.006) 2.641 9.653 ( -4.435 -9.320 3.645) 10.946 9.699 ( 3.145 -5.834 -1.561) 6.810 9.777 ( 2.825 -1.740 -2.123) 3.939 9.885 ( 6.243 -3.160 2.156) 7.322 10.260 ( -4.122 -4.084 1.580) 6.014 10.401 ( -1.705 5.358 -3.563) 6.657 10.592 ( -0.000 2.125 -1.318) 2.500 10.616 ( 0.874 3.642 0.590) 3.792 10.739 ( -4.550 8.122 -1.693) 9.463 10.895 ( -4.784 6.333 7.445) 10.882 11.089 ( -0.362 7.513 3.964) 8.503 11.266 ( -8.099 10.106 -9.807) 16.245 11.455 ( -11.962 5.252 -1.429) 13.142 11.593 ( -11.246 11.497 3.005) 16.361 13.703 ( 17.645 -21.538 2.233) 27.932 13.773 ( 17.362 -19.600 -1.598) 26.232 15.377 ( -8.936 16.652 5.760) 19.757 16.024 ( -2.894 4.990 -11.949) 13.269 16.622 ( -0.766 0.045 0.490) 0.910 16.741 ( -2.870 0.436 -1.109) 3.108 ======================= Grid point 101 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -9.793 11.749 18.846) 24.271 1.018 ( -12.924 16.359 11.859) 23.985 1.312 ( -7.868 9.017 -9.208) 15.099 1.706 ( -18.031 36.545 5.272) 41.091 1.878 ( -8.022 18.581 -13.805) 24.499 2.072 ( 3.715 8.353 1.115) 9.210 2.164 ( -3.423 7.285 -1.458) 8.180 2.347 ( 0.571 -3.137 -0.072) 3.189 2.366 ( -0.458 5.330 0.991) 5.441 2.407 ( -7.953 5.600 -1.889) 9.908 2.746 ( -2.003 3.272 1.604) 4.158 2.984 ( 2.434 -4.093 5.324) 7.143 3.000 ( -9.759 7.348 -1.895) 12.362 3.159 ( 1.853 -8.710 1.633) 9.053 3.313 ( 6.819 -6.819 -6.590) 11.680 3.383 ( 3.855 -2.486 -4.846) 6.673 3.663 ( 3.572 -9.750 2.889) 10.779 3.871 ( 4.459 -2.314 5.253) 7.268 3.966 ( 2.818 -1.159 -0.289) 3.061 4.079 ( -2.317 -3.514 -4.193) 5.941 4.179 ( 4.440 -5.604 -0.141) 7.151 4.224 ( 3.080 -5.477 0.344) 6.293 4.329 ( 3.383 -1.377 1.300) 3.878 4.438 ( 3.962 -6.057 -2.163) 7.554 4.532 ( 2.277 -2.169 -0.781) 3.241 4.642 ( -1.188 -3.060 2.057) 3.874 4.734 ( -4.512 -4.451 3.159) 7.082 4.897 ( 2.353 1.927 0.195) 3.048 4.935 ( 3.265 2.515 -5.147) 6.594 5.028 ( 2.179 -2.578 -2.947) 4.481 5.244 ( 4.002 -6.343 2.720) 7.978 5.299 ( 0.694 -1.775 3.397) 3.895 5.420 ( -1.140 -5.772 -4.893) 7.652 5.519 ( 6.243 -1.773 0.632) 6.521 5.536 ( -0.288 -2.300 1.780) 2.923 5.659 ( -3.048 -0.356 0.022) 3.069 5.976 ( 0.316 -0.194 -1.289) 1.341 6.120 ( 0.208 1.613 1.133) 1.982 6.246 ( -5.104 -2.240 -1.863) 5.877 6.299 ( -0.496 3.084 2.747) 4.160 6.632 ( -1.545 2.474 6.669) 7.279 6.779 ( 3.031 0.451 -0.813) 3.170 7.591 ( 2.913 -2.499 1.365) 4.073 7.637 ( 0.511 -0.263 -2.296) 2.367 7.775 ( 2.584 -5.139 1.698) 5.997 7.837 ( 7.565 -11.383 -3.715) 14.163 8.773 ( -1.552 3.501 3.854) 5.433 8.972 ( 0.258 0.537 -3.359) 3.412 9.097 ( -2.021 0.803 1.983) 2.943 9.194 ( -1.051 2.106 -1.614) 2.854 9.441 ( 5.742 3.712 -2.428) 7.256 9.558 ( -4.143 -0.545 2.631) 4.938 9.677 ( 0.595 -5.209 1.609) 5.484 9.812 ( 2.778 -6.174 -0.979) 6.841 9.851 ( 2.909 -1.653 -2.590) 4.231 9.972 ( -2.080 -3.344 1.406) 4.182 10.274 ( 3.258 3.403 0.844) 4.786 10.295 ( -14.614 19.661 2.884) 24.667 10.322 ( -1.764 4.224 -1.302) 4.759 10.481 ( -8.420 5.419 0.568) 10.029 10.656 ( -1.052 3.399 -5.663) 6.688 10.698 ( -8.086 10.678 -2.186) 13.571 11.020 ( -1.314 0.696 0.463) 1.557 11.117 ( 0.074 3.155 -0.470) 3.191 11.258 ( -3.718 7.916 -2.220) 9.023 11.334 ( -5.206 12.218 -0.601) 13.294 14.181 ( 10.473 -19.897 1.916) 22.567 14.230 ( 11.848 -18.987 -1.874) 22.459 15.105 ( -5.113 14.048 4.118) 15.507 15.778 ( -9.133 13.513 -23.258) 28.406 16.610 ( -0.647 0.269 1.409) 1.574 16.690 ( -0.844 1.868 -1.380) 2.471 ======================= Grid point 102 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -7.994 17.971 12.414) 23.259 0.797 ( -1.796 13.191 24.507) 27.890 1.140 ( 5.471 17.311 -1.999) 18.265 1.195 ( 2.681 28.257 10.439) 30.242 1.442 ( -3.935 26.789 -10.610) 29.081 2.039 ( 0.829 8.413 1.713) 8.626 2.127 ( 1.530 8.624 -0.950) 8.810 2.169 ( -1.619 0.557 -14.435) 14.537 2.400 ( 1.498 -2.418 -0.633) 2.914 2.402 ( 0.303 -1.909 -0.137) 1.937 2.679 ( -1.095 6.736 1.962) 7.101 2.807 ( -0.540 4.396 -2.558) 5.115 3.084 ( -0.480 -7.069 7.262) 10.146 3.286 ( -0.332 -8.729 0.494) 8.749 3.382 ( -0.420 -3.051 -4.746) 5.658 3.492 ( 2.050 -4.731 -4.590) 6.903 3.792 ( 1.575 -5.982 6.272) 8.810 3.909 ( -3.840 -1.487 4.392) 6.020 4.039 ( -0.598 -5.841 -2.334) 6.319 4.069 ( -0.095 -1.418 -2.670) 3.025 4.304 ( 3.299 -3.215 -1.640) 4.890 4.333 ( 3.977 -4.769 -3.812) 7.286 4.367 ( -1.253 -2.339 1.974) 3.307 4.488 ( 0.802 2.791 -1.925) 3.484 4.590 ( 2.014 -0.051 1.446) 2.480 4.665 ( -7.174 -5.183 0.188) 8.853 4.674 ( -0.649 -2.551 3.908) 4.712 4.875 ( -3.102 4.325 -8.395) 9.939 4.924 ( 1.384 0.502 3.310) 3.623 5.118 ( 2.360 -5.640 -2.729) 6.696 5.320 ( -2.719 -4.376 2.616) 5.778 5.379 ( 3.959 -2.883 4.498) 6.649 5.451 ( -0.136 -4.513 -4.291) 6.229 5.563 ( 0.242 -2.764 -0.312) 2.792 5.596 ( -3.443 -0.285 -1.162) 3.645 5.617 ( 3.350 0.635 0.467) 3.441 6.004 ( 1.752 -0.961 2.378) 3.106 6.149 ( 0.067 -4.591 0.191) 4.596 6.177 ( -3.470 -0.206 3.030) 4.612 6.289 ( 1.661 1.454 0.750) 2.331 6.630 ( -1.314 -0.542 9.361) 9.468 6.851 ( 2.877 -5.945 2.415) 7.032 7.621 ( -1.322 -1.274 -0.356) 1.870 7.649 ( -0.620 -0.561 -1.480) 1.700 7.811 ( -1.650 1.276 1.811) 2.763 8.015 ( 1.726 -7.744 -7.988) 11.259 8.707 ( -0.744 6.243 5.234) 8.181 8.946 ( -0.057 3.190 -4.581) 5.582 9.063 ( -0.952 0.524 2.155) 2.413 9.160 ( 1.202 3.791 -1.648) 4.305 9.428 ( -6.851 -2.083 2.493) 7.582 9.585 ( 10.268 3.888 -3.725) 11.594 9.792 ( 8.382 2.949 0.461) 8.898 9.805 ( -6.345 6.541 1.324) 9.208 9.889 ( -0.377 3.715 -0.547) 3.774 9.891 ( -6.277 -1.919 1.212) 6.674 9.975 ( 4.093 2.104 -1.429) 4.819 10.234 ( -0.487 6.494 -0.055) 6.513 10.324 ( -4.587 0.789 3.154) 5.623 10.352 ( 0.592 4.691 -1.536) 4.971 10.391 ( 0.104 31.446 -27.183) 41.567 10.486 ( 1.584 8.226 -2.376) 8.708 11.031 ( 0.399 -1.122 2.184) 2.487 11.100 ( 0.859 1.560 1.078) 2.081 11.138 ( -0.671 6.676 -1.555) 6.888 11.172 ( -1.173 6.594 -1.680) 6.906 14.446 ( -1.669 -14.199 1.330) 14.359 14.534 ( 1.717 -15.908 -2.140) 16.143 14.955 ( 1.115 8.929 1.337) 9.098 15.327 ( -0.197 32.837 -28.022) 43.169 16.604 ( -0.332 -0.103 1.183) 1.233 16.663 ( 0.342 2.308 -1.100) 2.579 ======================= Grid point 105 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 14.191 0.000 6.015) 15.413 1.666 ( 12.365 0.000 -1.284) 12.431 1.754 ( 15.348 0.000 6.163) 16.539 1.822 ( 1.255 0.000 -12.660) 12.722 2.049 ( -1.102 -0.000 3.197) 3.382 2.234 ( -2.476 -0.000 -4.013) 4.715 2.387 ( 2.835 0.000 3.597) 4.580 2.494 ( 3.657 0.000 -3.986) 5.409 2.712 ( 3.704 0.000 -0.391) 3.725 2.747 ( -2.583 -0.000 -2.905) 3.887 2.795 ( -11.018 -0.000 -0.120) 11.019 2.893 ( 9.264 0.000 4.510) 10.304 3.108 ( -3.807 -0.000 -1.513) 4.096 3.141 ( 9.374 0.000 9.144) 13.095 3.327 ( -3.961 -0.000 -7.997) 8.924 3.365 ( -8.589 -0.000 2.404) 8.919 3.587 ( 6.513 0.000 -0.843) 6.568 3.640 ( 11.842 0.000 2.399) 12.082 3.803 ( -5.595 -0.000 -0.651) 5.633 3.925 ( -11.820 -0.000 -1.328) 11.895 4.019 ( -3.910 -0.000 -1.900) 4.347 4.033 ( -2.383 -0.000 5.261) 5.776 4.077 ( -0.611 -0.000 -3.125) 3.184 4.411 ( 5.125 0.000 -1.768) 5.421 4.504 ( 1.757 0.000 1.734) 2.468 4.533 ( -3.689 -0.000 -4.277) 5.649 4.712 ( 1.613 0.000 -1.654) 2.310 4.769 ( -0.260 -0.000 8.923) 8.927 4.877 ( -3.931 -0.000 -0.761) 4.004 4.901 ( -3.685 -0.000 -0.705) 3.752 5.165 ( -6.005 -0.000 0.012) 6.005 5.218 ( -5.254 -0.000 4.945) 7.215 5.230 ( 0.036 0.000 -2.484) 2.485 5.433 ( 1.093 0.000 -2.926) 3.123 5.541 ( -1.360 -0.000 -1.947) 2.375 5.586 ( -1.349 -0.000 0.569) 1.464 6.065 ( 1.171 0.000 -5.259) 5.387 6.252 ( 1.297 0.000 5.932) 6.072 6.333 ( -3.951 -0.000 -0.941) 4.061 6.496 ( 4.541 0.000 5.320) 6.995 6.547 ( 3.115 0.000 -4.123) 5.167 6.648 ( -3.620 -0.000 -1.670) 3.987 7.392 ( -5.397 -0.000 -0.234) 5.403 7.400 ( -0.635 -0.000 1.497) 1.626 7.701 ( -0.883 -0.000 -0.381) 0.962 7.707 ( -1.912 -0.000 -0.204) 1.923 8.788 ( 0.813 0.000 0.929) 1.234 8.948 ( -3.076 -0.000 -1.094) 3.264 9.063 ( -3.788 -0.000 0.184) 3.793 9.107 ( -4.690 -0.000 1.178) 4.835 9.496 ( -0.255 -0.000 -3.149) 3.159 9.554 ( 3.344 0.000 0.559) 3.390 9.595 ( -0.682 -0.000 -0.501) 0.846 9.698 ( -8.611 -0.000 2.244) 8.899 9.783 ( -6.204 -0.000 -1.594) 6.406 9.822 ( -4.671 -0.000 1.785) 5.000 10.225 ( 0.403 0.000 -0.225) 0.462 10.414 ( 4.023 0.000 5.581) 6.879 10.583 ( 6.956 0.000 -10.004) 12.185 10.640 ( -0.803 -0.000 9.728) 9.761 10.936 ( 3.520 0.000 -9.373) 10.012 10.984 ( 8.259 0.000 -11.972) 14.544 11.231 ( 6.832 0.000 8.988) 11.290 11.351 ( 12.223 0.000 8.543) 14.913 11.642 ( 9.936 0.000 2.362) 10.213 11.958 ( 15.679 0.000 -2.537) 15.883 13.255 ( -24.325 -0.000 3.992) 24.650 13.258 ( -30.170 -0.000 -4.224) 30.464 16.004 ( 14.340 0.000 -12.168) 18.807 16.046 ( 17.418 0.000 10.067) 20.118 16.554 ( -2.670 -0.000 -2.114) 3.405 16.558 ( -4.179 -0.000 1.846) 4.569 ======================= Grid point 106 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 6.163 5.825 6.946) 10.961 1.826 ( 3.283 -0.555 -9.047) 9.640 1.858 ( 9.570 -0.570 -3.010) 10.048 1.996 ( 8.425 1.788 3.543) 9.313 2.005 ( -1.621 2.468 2.286) 3.734 2.193 ( -2.490 -2.783 -1.448) 4.005 2.442 ( 1.159 -1.909 0.719) 2.346 2.552 ( 3.507 -1.846 -3.058) 5.006 2.612 ( -7.655 -0.183 1.666) 7.837 2.654 ( -1.654 0.872 -0.038) 1.870 2.790 ( 1.121 -3.343 -1.098) 3.693 2.922 ( -4.853 -0.501 3.406) 5.950 3.110 ( 2.479 -1.622 -5.442) 6.197 3.192 ( -6.964 -2.619 9.138) 11.784 3.272 ( 0.681 -0.506 -5.877) 5.938 3.380 ( 3.223 -0.555 -0.680) 3.340 3.481 ( -8.487 -0.756 -0.761) 8.554 3.622 ( -10.880 -3.834 3.525) 12.062 3.894 ( 8.080 5.300 0.708) 9.689 3.928 ( 5.469 1.066 -0.543) 5.598 3.975 ( 3.461 0.293 2.845) 4.490 4.037 ( -0.056 -4.639 -0.329) 4.651 4.092 ( 1.014 0.148 -1.081) 1.489 4.354 ( -6.915 2.629 -2.611) 7.845 4.559 ( 7.656 3.330 -1.234) 8.439 4.600 ( 6.469 -1.231 -2.425) 7.018 4.693 ( -0.282 5.308 -0.772) 5.371 4.753 ( -3.012 4.653 4.336) 7.037 4.834 ( 2.272 -0.833 4.241) 4.883 4.866 ( -3.216 -4.082 -2.697) 5.855 5.045 ( -3.323 3.570 0.839) 4.948 5.194 ( -4.071 -5.858 3.578) 7.981 5.219 ( 0.498 1.599 -2.915) 3.362 5.407 ( -0.631 4.484 -1.067) 4.653 5.516 ( -0.334 -0.303 -1.805) 1.860 5.579 ( -2.072 -3.648 0.452) 4.220 6.069 ( 1.007 0.009 -6.019) 6.103 6.256 ( -4.722 -0.668 1.397) 4.969 6.300 ( 1.429 -0.996 5.886) 6.138 6.466 ( -4.947 0.989 -3.847) 6.344 6.589 ( 3.847 0.456 -2.860) 4.815 6.690 ( 2.755 -2.912 4.766) 6.228 7.336 ( 0.655 3.318 0.660) 3.446 7.429 ( 4.888 3.440 -0.317) 5.985 7.653 ( -3.686 -0.728 0.551) 3.797 7.677 ( -3.589 -2.802 -0.685) 4.604 8.796 ( 0.190 1.287 0.151) 1.310 8.909 ( -2.966 -4.800 -0.327) 5.652 9.012 ( -1.706 -0.334 -0.311) 1.766 9.078 ( -1.665 -5.976 0.992) 6.283 9.499 ( 1.224 0.577 -2.505) 2.847 9.559 ( -3.672 -1.044 0.654) 3.873 9.592 ( -0.339 1.646 0.009) 1.681 9.621 ( 0.426 -1.668 1.112) 2.049 9.656 ( -6.914 0.062 -0.431) 6.928 9.718 ( -5.757 -0.313 1.142) 5.877 10.264 ( 2.106 -0.083 1.014) 2.339 10.426 ( -3.360 -2.066 5.669) 6.906 10.618 ( 4.025 4.601 -6.795) 9.140 10.740 ( 4.647 -1.200 5.355) 7.191 10.944 ( 3.319 4.965 -8.173) 10.123 11.009 ( 1.012 0.483 -9.440) 9.506 11.373 ( 9.861 11.704 9.504) 18.015 11.582 ( 10.820 -0.224 3.208) 11.288 11.847 ( 6.040 -8.064 2.738) 10.440 12.244 ( 9.647 -7.800 -0.006) 12.405 12.721 ( -23.945 -0.200 -8.503) 25.411 12.899 ( -14.619 1.144 5.569) 15.685 16.159 ( 8.568 8.627 -2.914) 12.503 16.240 ( 7.125 11.163 2.390) 13.457 16.508 ( -2.166 -5.613 -2.763) 6.620 16.564 ( -2.122 -10.729 2.388) 11.194 ======================= Grid point 107 (45/95) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -4.952 12.523 5.374) 14.499 1.861 ( -0.221 2.613 -4.490) 5.200 1.908 ( 0.917 0.745 -1.359) 1.801 1.942 ( -1.967 7.568 2.483) 8.204 2.069 ( 2.662 1.706 -3.056) 4.398 2.206 ( 0.484 -3.353 0.940) 3.516 2.442 ( -0.897 1.059 0.393) 1.442 2.613 ( 1.508 -5.962 1.368) 6.300 2.637 ( 1.897 -1.903 0.417) 2.719 2.680 ( 5.932 -5.070 -2.069) 8.073 2.857 ( -0.335 -5.825 1.126) 5.942 2.867 ( -0.303 2.696 1.735) 3.221 3.068 ( -5.481 0.548 -2.422) 6.017 3.172 ( -0.531 -2.316 -0.570) 2.443 3.228 ( -4.179 2.500 -2.788) 5.611 3.359 ( -7.390 4.251 2.400) 8.857 3.437 ( 4.956 -10.262 -0.536) 11.409 3.645 ( 3.232 -8.646 1.255) 9.315 3.815 ( -3.195 5.914 1.938) 6.996 3.947 ( -4.043 5.310 -3.615) 7.590 4.034 ( -3.172 -0.557 -1.335) 3.487 4.062 ( 4.875 3.116 5.283) 7.834 4.204 ( 8.453 -2.142 0.278) 8.725 4.221 ( -5.456 -2.821 -1.343) 6.287 4.569 ( -4.716 7.713 2.266) 9.320 4.578 ( 0.186 6.389 -2.519) 6.871 4.685 ( 1.468 -1.783 1.846) 2.957 4.789 ( 8.763 0.706 0.223) 8.794 4.843 ( -1.270 -1.952 -2.316) 3.285 4.930 ( 4.864 0.014 -0.105) 4.865 5.013 ( 0.612 -1.872 3.703) 4.194 5.174 ( -1.697 -0.617 -6.637) 6.878 5.233 ( 0.873 -2.228 5.235) 5.756 5.350 ( -0.436 3.062 -0.506) 3.134 5.502 ( -0.991 -0.049 -1.415) 1.729 5.596 ( -1.519 -5.469 0.661) 5.714 6.057 ( 0.084 0.769 -6.217) 6.265 6.200 ( -3.026 -1.008 2.775) 4.227 6.348 ( 0.339 0.298 4.934) 4.954 6.361 ( -4.067 -1.169 -5.069) 6.604 6.651 ( 3.813 -0.698 -2.405) 4.562 6.757 ( -0.017 -1.753 4.927) 5.229 7.336 ( 3.620 4.158 -0.044) 5.513 7.473 ( 3.836 4.087 0.064) 5.606 7.611 ( -3.314 -3.503 0.086) 4.823 7.649 ( -1.666 -2.533 -0.496) 3.072 8.793 ( 1.350 0.877 0.819) 1.806 8.917 ( -2.660 -5.341 -0.171) 5.969 9.027 ( 1.693 -2.784 -1.538) 3.603 9.161 ( 0.997 -8.455 1.785) 8.699 9.479 ( -1.401 1.494 1.287) 2.419 9.512 ( -3.659 1.244 -1.163) 4.036 9.563 ( -3.126 -1.569 -0.176) 3.502 9.589 ( 3.078 -1.617 -1.929) 3.976 9.667 ( 0.967 -2.660 -0.182) 2.836 9.697 ( 1.683 -2.017 1.989) 3.295 10.249 ( -3.440 0.944 3.523) 5.014 10.452 ( -0.028 -5.215 3.381) 6.216 10.599 ( 1.816 5.016 -6.520) 8.425 10.813 ( 3.562 2.667 -1.464) 4.684 10.892 ( 2.273 9.707 -4.210) 10.823 11.013 ( -0.291 -1.679 -0.530) 1.784 11.364 ( -0.165 10.838 8.671) 13.881 11.710 ( 9.747 12.187 -3.292) 15.949 11.915 ( -9.070 1.514 -1.455) 9.310 12.038 ( -21.953 1.388 1.027) 22.021 12.802 ( 12.064 -16.940 0.419) 20.801 12.880 ( 7.575 -14.370 0.410) 16.250 16.043 ( -3.855 18.077 5.022) 19.154 16.220 ( 3.356 8.099 -5.180) 10.183 16.554 ( 0.032 -6.073 -2.507) 6.570 16.662 ( -1.008 -8.957 1.783) 9.188 ======================= Grid point 108 (46/95) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -9.437 13.866 7.590) 18.410 1.680 ( -8.763 12.892 3.279) 15.929 1.753 ( -6.443 8.590 -2.437) 11.011 1.979 ( 2.983 -0.586 -5.472) 6.260 2.091 ( 3.129 -0.737 -4.682) 5.680 2.252 ( 1.161 -1.893 0.949) 2.415 2.423 ( 0.734 4.029 2.137) 4.619 2.687 ( -2.240 -7.236 2.244) 7.900 2.709 ( 0.570 -0.890 -1.338) 1.705 2.778 ( -3.680 4.971 6.163) 8.731 2.866 ( 4.220 -0.945 -1.837) 4.699 2.908 ( -2.072 5.470 -1.861) 6.138 2.915 ( 0.068 1.447 -0.715) 1.615 3.046 ( -5.044 9.763 -2.983) 11.387 3.221 ( 0.259 -5.133 -3.303) 6.110 3.288 ( 3.854 -0.050 2.403) 4.542 3.599 ( -2.182 1.592 0.405) 2.731 3.766 ( 0.476 0.966 3.834) 3.982 3.782 ( 0.073 -2.778 -1.098) 2.988 3.840 ( 6.643 -9.346 -1.388) 11.550 3.996 ( -2.421 -3.843 -2.086) 4.998 4.096 ( 1.956 3.710 3.273) 5.320 4.160 ( -4.773 -4.135 2.321) 6.728 4.335 ( 3.133 0.770 -5.135) 6.065 4.440 ( -2.447 0.151 1.283) 2.767 4.554 ( 2.337 0.619 -0.320) 2.439 4.698 ( -3.071 -2.044 2.719) 4.583 4.867 ( 2.387 -1.742 -1.047) 3.135 4.932 ( 5.989 -1.607 1.884) 6.481 4.967 ( 1.283 1.413 -0.559) 1.989 5.108 ( 5.091 -0.012 3.673) 6.277 5.125 ( -3.776 -4.470 -6.351) 8.635 5.314 ( 2.056 -2.826 0.827) 3.592 5.341 ( 2.802 -0.239 2.400) 3.697 5.484 ( -1.179 -1.364 -2.161) 2.814 5.628 ( -1.219 -4.317 0.835) 4.563 6.022 ( -0.464 1.574 -5.468) 5.709 6.182 ( -0.838 0.073 2.855) 2.976 6.269 ( -4.175 -0.764 -4.949) 6.519 6.372 ( -0.203 0.692 3.414) 3.489 6.719 ( 3.177 -1.296 -1.770) 3.860 6.748 ( -2.917 0.939 4.946) 5.819 7.399 ( 5.304 -2.129 -1.663) 5.953 7.493 ( 0.363 -2.475 1.636) 2.989 7.608 ( -1.261 -3.777 -1.076) 4.124 7.668 ( 2.868 1.872 0.195) 3.430 8.829 ( 2.652 1.493 3.038) 4.301 8.926 ( -0.156 -3.014 -2.205) 3.738 9.089 ( 2.184 -2.119 -1.272) 3.298 9.236 ( -1.355 -3.817 1.842) 4.449 9.439 ( -1.733 -1.784 -1.199) 2.761 9.473 ( -2.654 -4.083 0.632) 4.910 9.595 ( 3.032 -2.122 1.502) 3.994 9.641 ( 3.364 2.583 -0.741) 4.305 9.716 ( 2.163 -3.757 -1.371) 4.547 9.809 ( 4.996 -4.151 1.643) 6.700 10.199 ( -1.581 -0.738 2.261) 2.856 10.479 ( -1.922 -0.347 -3.865) 4.330 10.583 ( 1.961 0.671 1.767) 2.724 10.759 ( -1.231 6.899 -9.900) 12.130 10.868 ( 2.351 5.419 6.874) 9.063 10.979 ( -4.429 4.518 2.029) 6.644 11.235 ( -6.374 4.155 7.390) 10.607 11.467 ( -22.689 5.174 -9.629) 25.185 11.677 ( 6.724 18.994 -4.853) 20.725 11.823 ( -5.305 11.116 5.867) 13.643 13.225 ( 12.363 -23.873 3.804) 27.152 13.320 ( 13.705 -23.975 -2.529) 27.731 15.764 ( -6.701 20.021 6.636) 22.131 16.151 ( -0.224 7.026 -9.109) 11.506 16.594 ( -0.375 -2.938 0.215) 2.970 16.702 ( -1.990 -4.419 -0.294) 4.855 ======================= Grid point 109 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -8.138 13.729 13.536) 20.927 1.367 ( -10.056 17.019 6.511) 20.813 1.532 ( -4.327 11.438 -6.379) 13.793 1.974 ( -0.493 -0.317 -12.303) 12.317 2.178 ( 5.867 -1.102 -2.482) 6.465 2.292 ( 0.727 -0.656 0.320) 1.031 2.378 ( -2.618 5.291 1.270) 6.039 2.429 ( -7.090 26.283 1.444) 27.261 2.532 ( -5.513 17.836 5.478) 19.455 2.679 ( -8.394 16.837 0.249) 18.815 2.820 ( 1.972 1.431 1.616) 2.923 2.878 ( 2.136 -8.778 3.182) 9.579 2.967 ( 4.132 2.909 0.503) 5.078 3.125 ( 6.205 -10.615 -5.353) 13.410 3.237 ( -6.531 4.885 -1.453) 8.285 3.323 ( -1.242 -2.044 -5.524) 6.020 3.501 ( 3.402 -2.699 2.190) 4.863 3.804 ( 3.942 -3.275 4.001) 6.502 3.916 ( -1.988 -5.774 -0.681) 6.144 3.991 ( -1.451 -5.269 -4.329) 6.972 4.048 ( 6.691 -6.577 -1.159) 9.453 4.136 ( 0.607 -2.100 4.217) 4.750 4.207 ( 5.180 -9.939 1.063) 11.258 4.323 ( -1.849 -2.213 0.646) 2.955 4.477 ( 2.482 -3.917 -3.191) 5.630 4.615 ( 1.671 -2.540 1.841) 3.555 4.640 ( -6.295 -1.475 2.979) 7.118 4.921 ( 2.657 -0.672 -1.244) 3.010 4.970 ( 1.711 2.721 -2.357) 3.986 5.049 ( 0.217 1.869 -4.330) 4.721 5.084 ( 1.163 -8.970 1.435) 9.158 5.210 ( 1.318 -4.648 3.752) 6.117 5.341 ( 0.777 -1.876 -1.392) 2.462 5.454 ( -0.967 -5.345 1.285) 5.582 5.492 ( 4.988 -1.056 -0.692) 5.145 5.635 ( -2.291 -2.026 1.411) 3.368 5.990 ( 0.504 1.364 -3.938) 4.198 6.165 ( -0.703 2.256 -3.125) 3.917 6.205 ( -2.851 -1.524 1.082) 3.409 6.356 ( -0.625 2.293 2.502) 3.451 6.686 ( -3.160 2.205 5.113) 6.402 6.771 ( 1.680 -1.256 -1.139) 2.387 7.532 ( 4.425 -4.767 -1.657) 6.712 7.572 ( 1.321 -8.314 0.203) 8.420 7.638 ( 1.380 -4.007 -1.489) 4.492 7.703 ( 1.801 -0.416 1.472) 2.363 8.837 ( -0.681 2.567 4.428) 5.164 8.976 ( 4.398 0.223 -4.116) 6.027 9.124 ( 1.014 1.335 1.031) 1.969 9.222 ( -1.498 0.005 0.548) 1.595 9.453 ( -0.240 -2.628 -2.268) 3.479 9.464 ( -4.527 -7.040 1.340) 8.477 9.664 ( 5.616 2.863 1.406) 6.459 9.715 ( 5.399 -1.997 0.390) 5.770 9.793 ( 1.408 -3.849 -1.618) 4.406 9.889 ( -2.501 -4.155 1.536) 5.087 10.264 ( 7.116 -0.872 -0.839) 7.218 10.413 ( -0.379 4.297 -1.824) 4.683 10.573 ( -5.341 4.538 -0.883) 7.064 10.663 ( -0.041 0.894 -0.760) 1.174 10.732 ( -9.076 13.770 -1.646) 16.574 10.827 ( -7.715 3.846 4.133) 9.560 11.076 ( -9.254 2.724 -0.130) 9.648 11.172 ( -1.653 1.909 0.309) 2.544 11.557 ( 4.663 20.824 -3.766) 21.669 11.619 ( -3.802 15.637 2.444) 16.277 13.691 ( 8.419 -26.939 2.348) 28.321 13.770 ( 8.720 -25.181 -1.625) 26.698 15.464 ( -5.558 20.136 7.128) 22.072 16.010 ( -2.072 9.602 -14.598) 17.596 16.606 ( -0.615 -0.908 1.659) 1.989 16.700 ( -0.876 -1.338 -1.451) 2.160 ======================= Grid point 110 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -3.561 14.875 15.059) 21.465 1.070 ( -3.045 17.743 12.581) 21.963 1.380 ( 4.547 12.574 -6.593) 14.908 1.870 ( -3.112 8.372 -16.134) 18.441 2.008 ( 2.544 37.911 5.515) 38.394 2.223 ( -2.261 10.804 0.226) 11.040 2.278 ( 2.118 4.830 -1.029) 5.373 2.311 ( -3.049 2.135 -2.430) 4.445 2.391 ( 1.075 7.734 2.293) 8.138 2.396 ( 3.200 11.344 2.384) 12.026 2.840 ( 0.332 5.450 1.211) 5.593 2.923 ( -3.854 4.256 -0.050) 5.742 3.009 ( 3.113 2.032 2.759) 4.630 3.086 ( -0.839 -7.710 1.994) 8.008 3.297 ( 2.735 -6.667 -7.495) 10.397 3.339 ( -1.936 -8.291 -5.817) 10.312 3.645 ( 2.928 -7.322 6.536) 10.242 3.841 ( -9.473 -5.910 -1.734) 11.300 3.931 ( 3.878 -3.778 0.324) 5.423 4.038 ( 2.113 -1.453 -2.849) 3.833 4.175 ( 0.160 -8.805 -0.779) 8.840 4.230 ( 4.644 -4.709 -0.668) 6.648 4.307 ( -3.846 -3.977 3.294) 6.438 4.434 ( 3.342 -11.593 0.863) 12.096 4.518 ( -5.699 -1.862 1.643) 6.216 4.587 ( 3.082 -1.528 0.389) 3.462 4.644 ( -1.502 -1.070 4.097) 4.493 4.944 ( -2.610 0.534 -8.499) 8.907 4.965 ( -1.429 2.738 -1.296) 3.349 4.987 ( 2.397 -3.719 -2.408) 5.038 5.221 ( 0.344 -5.172 2.713) 5.851 5.298 ( 2.544 -6.926 3.291) 8.079 5.374 ( 1.445 -0.832 -1.604) 2.313 5.463 ( -2.128 -6.353 -2.096) 7.021 5.584 ( -3.751 -1.058 2.557) 4.661 5.622 ( 4.147 -0.677 1.267) 4.388 5.996 ( 2.196 0.291 -1.783) 2.843 6.109 ( -1.926 -0.319 -5.973) 6.284 6.192 ( -0.577 1.436 5.501) 5.714 6.330 ( 0.136 2.320 1.068) 2.558 6.644 ( -1.218 1.286 5.681) 5.951 6.803 ( 0.964 -1.234 -0.400) 1.616 7.589 ( -1.131 -2.210 -0.737) 2.589 7.635 ( -0.405 -1.441 -2.614) 3.013 7.732 ( 0.672 -6.696 1.669) 6.934 7.783 ( 0.287 -11.308 -1.051) 11.360 8.798 ( -1.447 2.995 4.145) 5.314 9.005 ( 0.961 2.733 -4.111) 5.029 9.102 ( -0.643 3.017 2.860) 4.207 9.213 ( 0.704 0.546 -1.145) 1.451 9.397 ( -3.906 -0.936 2.403) 4.681 9.570 ( 6.340 -5.915 -4.103) 9.592 9.746 ( 0.323 -1.342 2.078) 2.495 9.807 ( 0.183 -1.522 -0.876) 1.766 9.825 ( -7.678 -2.303 0.315) 8.022 9.863 ( 7.948 -3.009 -0.377) 8.507 10.313 ( -1.322 2.906 0.095) 3.194 10.376 ( -8.341 4.225 -0.418) 9.359 10.419 ( 2.398 13.762 1.291) 14.029 10.478 ( 5.545 14.042 2.648) 15.328 10.624 ( -2.690 4.265 -3.726) 6.270 10.677 ( 1.600 3.002 -6.320) 7.178 11.029 ( 1.900 1.458 4.133) 4.777 11.135 ( -0.500 2.244 0.280) 2.316 11.390 ( -3.397 15.271 -1.753) 15.742 11.408 ( 1.914 18.089 -1.415) 18.245 14.037 ( -0.990 -24.933 1.507) 24.998 14.108 ( 0.580 -24.472 -1.210) 24.509 15.228 ( -0.807 17.326 5.957) 18.339 15.810 ( 1.418 16.644 -20.524) 26.463 16.606 ( -0.462 -0.069 1.848) 1.906 16.696 ( 0.491 0.520 -1.700) 1.844 ======================= Grid point 111 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 12.410 15.960 6.561) 21.255 1.017 ( 4.508 10.469 23.704) 26.302 1.395 ( 9.272 10.405 -6.469) 15.365 1.691 ( 8.822 17.689 -11.222) 22.730 1.830 ( 18.002 34.251 7.757) 39.464 2.059 ( -5.880 5.219 -2.772) 8.337 2.161 ( 5.369 9.441 -6.823) 12.826 2.362 ( 2.651 6.585 0.611) 7.125 2.381 ( 1.205 -3.219 0.158) 3.441 2.423 ( 5.759 7.901 -0.403) 9.785 2.726 ( 0.855 3.373 2.110) 4.069 2.951 ( 5.503 1.419 1.120) 5.792 3.037 ( 2.191 3.629 2.517) 4.931 3.154 ( -4.028 -9.046 1.479) 10.013 3.292 ( -4.776 -3.948 -6.717) 9.138 3.389 ( -2.246 -7.834 -4.610) 9.363 3.726 ( -9.813 -6.671 -0.126) 11.867 3.775 ( 0.310 -7.245 6.919) 10.022 3.978 ( -1.778 -0.818 -0.212) 1.968 4.056 ( -0.045 -0.147 -2.408) 2.413 4.267 ( 0.395 -8.296 -4.023) 9.228 4.270 ( -5.530 -4.239 3.085) 7.620 4.338 ( 0.495 -5.714 -1.027) 5.826 4.401 ( -8.142 -5.357 2.283) 10.010 4.530 ( -1.481 -0.071 -4.561) 4.796 4.642 ( 1.092 -0.197 5.496) 5.607 4.667 ( -0.575 -3.673 2.857) 4.689 4.815 ( -3.759 4.436 -5.396) 7.932 4.958 ( 0.631 -0.417 0.103) 0.763 5.071 ( 1.130 -6.431 -2.742) 7.082 5.226 ( -3.614 -2.561 2.713) 5.194 5.368 ( -2.401 -4.540 -4.025) 6.524 5.423 ( -1.239 0.146 5.982) 6.111 5.473 ( -1.396 -6.609 -2.175) 7.097 5.546 ( -0.604 -1.433 1.027) 1.864 5.680 ( 1.082 0.789 -1.366) 1.913 6.037 ( 1.962 0.094 -1.574) 2.518 6.099 ( 1.092 -3.689 -2.312) 4.488 6.181 ( 0.320 2.796 5.610) 6.277 6.332 ( 1.667 0.656 -0.559) 1.876 6.625 ( -1.937 1.921 5.582) 6.213 6.830 ( 0.064 -1.695 0.340) 1.730 7.554 ( -3.832 -1.463 0.768) 4.173 7.614 ( -2.083 -2.698 -1.795) 3.852 7.764 ( -2.661 -2.171 0.062) 3.435 7.856 ( -5.715 -10.704 -2.143) 12.322 8.778 ( 1.379 2.074 4.050) 4.754 8.952 ( -1.221 2.366 -3.106) 4.091 9.084 ( 1.254 1.623 0.830) 2.213 9.221 ( 1.374 1.100 -0.908) 1.981 9.399 ( 3.133 0.325 -1.402) 3.448 9.584 ( -5.764 3.778 1.381) 7.029 9.712 ( -4.445 -3.946 2.673) 6.517 9.795 ( 0.977 -5.747 -1.550) 6.032 9.857 ( 0.083 -2.135 -2.835) 3.550 10.011 ( -0.066 -3.861 1.628) 4.191 10.262 ( 0.359 6.127 1.281) 6.270 10.283 ( 4.072 0.110 -2.039) 4.555 10.332 ( 11.252 15.513 3.879) 19.553 10.478 ( 5.986 12.086 1.998) 13.635 10.592 ( 3.808 3.232 -6.230) 7.985 10.688 ( 7.622 11.128 -5.017) 14.390 11.067 ( -0.192 3.128 4.453) 5.445 11.147 ( 7.150 1.202 -4.245) 8.402 11.231 ( 2.198 7.856 -3.462) 8.862 11.283 ( 3.813 12.818 1.709) 13.482 14.153 ( -11.724 -18.915 0.930) 22.274 14.250 ( -10.820 -20.251 -0.891) 22.977 15.146 ( 7.044 11.905 6.269) 15.187 15.643 ( 9.376 19.683 -23.587) 32.120 16.609 ( 0.553 0.336 1.334) 1.483 16.692 ( 0.807 1.904 -1.272) 2.428 ======================= Grid point 115 (50/95) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 4.320 0.000 -4.759) 6.427 1.887 ( -0.947 -0.000 1.234) 1.555 1.936 ( -7.498 -0.000 3.946) 8.473 2.044 ( 7.872 0.000 -1.816) 8.079 2.102 ( -0.168 -0.000 2.247) 2.254 2.131 ( -1.549 -0.000 -0.923) 1.804 2.468 ( 2.674 0.000 0.871) 2.813 2.518 ( -2.284 -0.000 1.576) 2.774 2.589 ( 3.168 0.000 -1.584) 3.542 2.660 ( 0.857 0.000 -0.399) 0.945 2.785 ( 0.950 0.000 -0.361) 1.016 2.890 ( 1.139 0.000 1.468) 1.858 3.092 ( -0.741 -0.000 -7.207) 7.245 3.122 ( -2.253 -0.000 9.768) 10.025 3.277 ( -4.493 -0.000 -4.710) 6.509 3.287 ( 2.792 0.000 -4.291) 5.120 3.428 ( -6.397 -0.000 4.313) 7.715 3.526 ( 5.744 0.000 1.424) 5.918 3.919 ( -4.889 -0.000 4.753) 6.818 3.965 ( -0.550 -0.000 -4.794) 4.825 4.066 ( -3.246 -0.000 1.922) 3.772 4.107 ( 5.678 0.000 4.690) 7.365 4.117 ( 5.036 0.000 -6.250) 8.027 4.222 ( -4.129 -0.000 -0.971) 4.242 4.642 ( -0.665 -0.000 -0.663) 0.939 4.665 ( -2.731 -0.000 0.542) 2.784 4.711 ( -1.321 -0.000 -1.327) 1.873 4.746 ( -0.573 -0.000 4.819) 4.853 4.853 ( 6.037 0.000 0.054) 6.037 4.901 ( 5.162 0.000 0.833) 5.229 4.996 ( -3.365 -0.000 -1.813) 3.822 5.147 ( 0.559 0.000 3.556) 3.599 5.234 ( 1.627 0.000 -4.049) 4.364 5.421 ( -1.376 -0.000 -1.466) 2.010 5.487 ( -0.732 -0.000 2.000) 2.129 5.516 ( -2.666 -0.000 -1.543) 3.080 6.066 ( 0.656 0.000 -6.493) 6.526 6.185 ( -3.361 -0.000 4.388) 5.527 6.333 ( 0.165 0.000 2.419) 2.424 6.371 ( -3.416 -0.000 -2.540) 4.256 6.635 ( 3.098 0.000 -5.040) 5.916 6.736 ( 1.055 0.000 6.196) 6.285 7.412 ( 4.640 0.000 1.201) 4.793 7.547 ( -5.549 -0.000 -0.756) 5.600 7.565 ( -6.468 -0.000 0.695) 6.505 7.578 ( 7.558 0.000 -0.801) 7.601 8.826 ( 1.220 0.000 1.874) 2.236 8.834 ( -0.515 -0.000 -2.073) 2.136 9.019 ( 1.286 0.000 0.319) 1.325 9.037 ( 1.751 0.000 0.018) 1.751 9.506 ( -0.582 -0.000 2.810) 2.870 9.529 ( -6.338 -0.000 0.233) 6.342 9.544 ( -5.932 -0.000 -0.276) 5.939 9.558 ( 4.837 0.000 -3.094) 5.742 9.641 ( 3.153 0.000 -0.584) 3.207 9.674 ( 0.531 0.000 1.056) 1.182 10.329 ( -6.182 -0.000 6.828) 9.211 10.329 ( 3.109 0.000 0.953) 3.252 10.648 ( 0.067 0.000 -8.527) 8.527 10.849 ( 2.826 0.000 5.221) 5.936 10.984 ( 2.474 0.000 -3.371) 4.181 11.018 ( 2.418 0.000 -8.032) 8.388 11.529 ( -10.314 -0.000 2.798) 10.687 11.732 ( 14.229 0.000 5.178) 15.142 12.029 ( 13.269 0.000 3.657) 13.763 12.056 ( -25.523 -0.000 -0.349) 25.525 12.539 ( 9.279 0.000 -10.260) 13.833 12.752 ( -4.120 -0.000 6.074) 7.339 16.364 ( -1.020 -0.000 4.809) 4.916 16.370 ( 1.712 0.000 -2.336) 2.896 16.389 ( -5.323 -0.000 -2.546) 5.901 16.475 ( 5.566 0.000 -0.542) 5.592 ======================= Grid point 117 (51/95) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -9.892 8.585 5.489) 14.201 1.837 ( -4.371 1.838 -0.455) 4.763 1.927 ( -2.284 4.963 -0.637) 5.500 2.003 ( 0.117 4.731 0.546) 4.764 2.059 ( -1.993 -1.671 -3.890) 4.679 2.204 ( 3.132 -2.856 -0.576) 4.278 2.489 ( 3.211 2.581 1.494) 4.382 2.564 ( -0.437 -4.518 1.732) 4.858 2.655 ( 2.580 -2.133 -0.619) 3.404 2.703 ( 3.209 -5.308 -1.634) 6.414 2.810 ( 0.066 -1.100 2.120) 2.389 2.949 ( 4.805 1.212 -1.130) 5.083 3.044 ( 0.967 2.287 -5.286) 5.840 3.162 ( 2.196 1.726 -0.093) 2.795 3.229 ( 0.843 3.509 1.635) 3.962 3.303 ( -0.364 -0.474 0.692) 0.915 3.482 ( 7.695 -5.285 2.294) 9.613 3.677 ( 7.903 -4.993 -0.281) 9.352 3.808 ( -4.754 5.764 1.684) 7.659 3.915 ( -7.532 6.536 -0.661) 9.994 3.941 ( -2.665 -2.521 -4.559) 5.852 4.048 ( -7.142 -6.041 -0.968) 9.404 4.177 ( 1.088 2.572 7.685) 8.177 4.314 ( 6.164 -1.059 -4.389) 7.641 4.528 ( -7.679 4.898 1.466) 9.225 4.556 ( -6.305 -0.358 0.404) 6.328 4.701 ( -0.156 1.749 1.454) 2.280 4.766 ( -0.490 -5.187 3.402) 6.223 4.945 ( 0.707 0.558 -2.263) 2.436 4.981 ( 1.679 -1.770 1.074) 2.666 4.993 ( 5.209 -0.892 -0.765) 5.340 5.180 ( 2.121 0.974 -0.525) 2.393 5.256 ( 1.099 -1.575 -1.583) 2.488 5.369 ( -0.815 2.534 0.444) 2.699 5.469 ( -1.146 -0.197 -3.383) 3.577 5.531 ( 0.605 -4.360 2.412) 5.019 6.048 ( -0.130 0.781 -5.727) 5.781 6.168 ( -0.874 -0.691 5.765) 5.871 6.268 ( -3.188 0.088 -6.856) 7.561 6.383 ( 1.083 0.491 3.761) 3.945 6.682 ( 2.774 -1.727 -4.082) 5.229 6.748 ( -1.850 -0.253 4.975) 5.314 7.416 ( -1.675 2.816 0.098) 3.278 7.457 ( -5.059 -1.218 0.154) 5.206 7.532 ( 1.559 -3.323 1.811) 4.092 7.701 ( 5.568 0.952 -1.302) 5.797 8.856 ( 3.212 1.025 2.721) 4.333 8.878 ( 3.430 -1.487 -2.442) 4.466 9.054 ( 3.048 -0.511 -0.469) 3.126 9.116 ( 1.816 -5.356 1.036) 5.750 9.425 ( -4.439 0.771 0.582) 4.543 9.446 ( -4.100 -0.354 -0.451) 4.140 9.567 ( 4.841 -1.067 2.671) 5.631 9.639 ( 3.441 -1.819 -1.614) 4.214 9.692 ( 1.997 0.777 0.004) 2.143 9.742 ( 6.263 -1.827 -0.918) 6.588 10.238 ( -1.420 3.725 4.547) 6.047 10.401 ( 0.168 -4.994 0.794) 5.060 10.606 ( -1.841 0.632 -3.121) 3.679 10.833 ( -2.239 1.289 -6.712) 7.192 11.004 ( 2.344 4.721 2.725) 5.934 11.060 ( 2.948 3.187 0.914) 4.436 11.276 ( -15.110 0.460 3.080) 15.428 11.526 ( -25.940 1.287 -8.295) 27.264 11.982 ( 9.108 7.281 5.391) 12.846 12.140 ( 9.683 18.760 -0.274) 21.114 12.805 ( 6.572 -15.263 3.020) 16.890 12.847 ( 8.061 -18.568 -2.317) 20.375 16.141 ( -6.447 15.295 4.458) 17.186 16.280 ( -2.944 3.849 -5.365) 7.230 16.508 ( 2.460 -4.813 0.710) 5.452 16.573 ( 0.524 -6.592 -0.917) 6.676 ======================= Grid point 118 (52/95) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -8.266 11.394 8.936) 16.674 1.687 ( -5.662 12.782 1.996) 14.121 1.736 ( -4.179 8.044 -1.683) 9.219 1.975 ( -1.561 0.636 -6.836) 7.041 2.105 ( 2.822 -4.327 -0.270) 5.173 2.260 ( 1.417 -1.305 -1.834) 2.660 2.513 ( 2.035 6.568 1.167) 6.974 2.588 ( -1.286 -3.307 2.934) 4.604 2.703 ( -1.315 -0.235 0.084) 1.339 2.756 ( 0.236 -3.503 1.428) 3.790 2.899 ( 4.608 -9.163 -3.440) 10.818 2.985 ( 1.410 6.232 -2.152) 6.742 3.067 ( 6.203 12.848 0.802) 14.290 3.098 ( 0.704 9.116 -0.943) 9.191 3.170 ( -0.750 1.811 -0.573) 2.042 3.372 ( 3.266 1.689 2.637) 4.525 3.573 ( -4.447 4.934 -1.354) 6.779 3.738 ( -0.387 -8.694 0.307) 8.708 3.781 ( -0.631 1.334 1.819) 2.342 3.893 ( 4.583 -3.428 -2.960) 6.443 3.920 ( 2.796 -4.823 -1.976) 5.915 4.033 ( -0.007 -7.136 2.628) 7.604 4.146 ( -3.025 1.770 5.658) 6.656 4.312 ( -6.399 0.999 -2.526) 6.952 4.422 ( 1.266 -0.790 -1.343) 2.007 4.507 ( -3.567 -5.936 0.378) 6.935 4.672 ( -0.673 2.226 1.605) 2.825 4.840 ( -1.117 -7.982 2.627) 8.477 4.958 ( 0.905 -1.117 -0.822) 1.656 5.011 ( 1.745 0.406 -0.327) 1.822 5.056 ( 1.656 0.461 -0.023) 1.719 5.196 ( 2.158 0.976 -2.705) 3.595 5.282 ( -1.009 -4.213 -0.718) 4.391 5.361 ( -1.730 -2.125 1.537) 3.142 5.480 ( 3.838 -0.172 -1.939) 4.303 5.582 ( -0.316 -2.868 1.686) 3.342 6.019 ( -0.148 1.156 -4.220) 4.378 6.188 ( -0.817 -0.170 2.610) 2.740 6.200 ( -0.553 0.925 -4.298) 4.431 6.393 ( 0.115 1.423 2.095) 2.535 6.709 ( -3.644 0.221 3.946) 5.376 6.735 ( 1.971 -1.956 -2.462) 3.711 7.402 ( -0.796 -4.792 0.204) 4.862 7.438 ( -0.693 -5.652 -0.785) 5.748 7.591 ( 1.897 -0.624 2.187) 2.962 7.743 ( 1.752 2.453 -0.898) 3.146 8.878 ( -0.425 1.483 4.995) 5.228 8.985 ( 7.724 0.542 -4.674) 9.045 9.122 ( 3.063 -1.775 -0.570) 3.586 9.178 ( -1.323 -3.861 1.860) 4.485 9.368 ( -2.163 -1.130 0.527) 2.497 9.405 ( -1.405 -1.227 -0.850) 2.049 9.687 ( 5.395 -1.198 1.400) 5.701 9.713 ( 2.035 -3.442 -0.484) 4.027 9.722 ( 2.975 1.066 1.026) 3.322 9.833 ( 1.424 -0.462 0.429) 1.558 10.273 ( 7.360 2.031 0.487) 7.650 10.439 ( 0.981 -2.123 -1.244) 2.649 10.572 ( -2.332 -1.464 3.417) 4.388 10.733 ( -3.666 3.598 -8.127) 9.614 10.903 ( -11.040 5.567 3.678) 12.900 10.953 ( -10.640 6.001 -3.128) 12.610 11.099 ( -6.315 -0.183 3.128) 7.050 11.197 ( -1.720 0.524 -2.906) 3.417 11.952 ( 1.521 17.801 4.327) 18.383 12.043 ( 6.080 24.199 -3.607) 25.210 13.132 ( 4.852 -26.288 4.117) 27.048 13.236 ( 7.048 -26.166 -2.658) 27.229 15.874 ( -5.442 18.671 5.881) 20.317 16.172 ( -1.303 5.787 -8.194) 10.115 16.569 ( 0.358 -2.536 1.048) 2.767 16.629 ( -0.334 -5.229 -1.205) 5.377 ======================= Grid point 119 (53/95) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -2.386 12.482 12.613) 17.905 1.456 ( -1.953 18.249 4.365) 18.865 1.623 ( 2.713 10.072 -3.469) 10.993 1.916 ( -1.388 0.573 -11.431) 11.529 2.198 ( 1.702 -5.289 0.742) 5.605 2.261 ( -2.592 -1.249 -2.648) 3.910 2.454 ( -0.250 9.012 2.921) 9.477 2.518 ( 0.182 8.417 -0.941) 8.471 2.736 ( 2.121 0.044 2.836) 3.541 2.795 ( 0.055 22.700 3.682) 22.997 2.836 ( -0.363 -3.033 2.493) 3.943 2.879 ( -0.234 14.247 0.006) 14.249 3.074 ( 1.425 -10.791 -3.025) 11.297 3.123 ( -1.172 2.698 -2.255) 3.707 3.191 ( 5.508 8.753 -0.311) 10.346 3.257 ( -3.893 1.877 -3.436) 5.521 3.553 ( 2.812 -0.544 2.847) 4.038 3.705 ( -8.635 -6.005 -4.068) 11.277 3.854 ( 4.305 -4.286 2.219) 6.467 3.948 ( 1.101 -7.247 -3.721) 8.220 4.067 ( -2.109 -1.888 2.938) 4.080 4.112 ( 2.960 -6.736 1.282) 7.469 4.207 ( -6.965 -4.954 1.321) 8.649 4.218 ( 5.427 -7.142 1.460) 9.088 4.468 ( 0.301 -3.136 -0.498) 3.189 4.519 ( 0.423 -4.440 -0.829) 4.537 4.655 ( -0.083 1.781 3.553) 3.976 4.863 ( -3.899 -6.060 -3.272) 7.914 4.976 ( 0.652 0.203 -0.925) 1.150 5.029 ( -0.073 2.212 -1.420) 2.629 5.105 ( 3.363 -3.924 3.970) 6.517 5.225 ( 1.454 -1.114 -1.878) 2.623 5.320 ( -2.488 -6.900 -1.699) 7.529 5.349 ( 0.921 -1.722 -0.982) 2.186 5.553 ( -0.549 -1.511 2.354) 2.851 5.593 ( 1.001 -2.059 0.785) 2.420 6.004 ( 0.710 0.309 -2.680) 2.789 6.125 ( -1.475 1.707 -7.946) 8.260 6.224 ( 1.135 1.324 6.076) 6.321 6.375 ( -0.355 2.011 0.770) 2.182 6.659 ( -2.526 -0.091 3.529) 4.341 6.775 ( 1.316 -1.345 -0.952) 2.108 7.467 ( -0.648 -8.531 -0.222) 8.558 7.523 ( 1.117 -8.656 -1.963) 8.945 7.627 ( 0.382 -1.179 2.934) 3.184 7.720 ( -0.857 2.132 -1.044) 2.524 8.844 ( -2.729 1.770 4.232) 5.337 9.058 ( 2.363 2.450 -4.299) 5.484 9.164 ( -1.075 1.149 1.685) 2.305 9.179 ( 0.422 -2.120 1.229) 2.487 9.376 ( -0.009 -2.044 -0.059) 2.045 9.423 ( 1.876 -5.206 -1.631) 5.769 9.739 ( -2.651 -1.185 0.397) 2.931 9.755 ( -0.290 -2.784 -0.256) 2.810 9.803 ( 4.497 -0.598 1.909) 4.922 9.829 ( -0.142 0.481 1.052) 1.165 10.337 ( -0.341 0.650 0.239) 0.772 10.478 ( -8.551 4.910 -2.552) 10.185 10.532 ( 5.607 2.399 -0.421) 6.113 10.658 ( 4.788 -0.812 -1.158) 4.993 10.687 ( -6.662 1.014 -1.784) 6.971 10.743 ( -0.607 6.026 -1.886) 6.343 11.098 ( 4.067 4.569 3.836) 7.220 11.188 ( 1.371 2.578 0.258) 2.932 11.738 ( -4.198 19.477 1.778) 20.003 11.864 ( 2.925 24.364 -2.495) 24.665 13.470 ( -1.334 -29.529 2.483) 29.663 13.575 ( 0.585 -27.014 -1.561) 27.065 15.623 ( -2.002 20.091 6.553) 21.227 16.071 ( 2.102 9.539 -11.358) 14.981 16.590 ( -0.501 -1.573 1.510) 2.237 16.670 ( 0.638 -3.182 -1.603) 3.620 ======================= Grid point 120 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 6.326 12.422 12.878) 18.978 1.306 ( 4.662 17.889 6.931) 19.743 1.609 ( 7.614 9.964 -3.457) 13.008 1.850 ( 0.810 2.486 -14.001) 14.243 2.166 ( -5.784 3.219 -2.391) 7.038 2.272 ( 0.289 -5.036 0.743) 5.098 2.386 ( 2.637 6.075 1.111) 6.715 2.465 ( 5.451 14.649 1.211) 15.678 2.565 ( 6.880 28.797 4.708) 29.980 2.737 ( 9.529 15.742 0.071) 18.401 2.794 ( -4.901 -1.226 1.895) 5.396 2.891 ( -1.693 -3.372 2.261) 4.399 2.989 ( -3.699 -1.975 1.285) 4.385 3.137 ( -6.189 -10.757 -4.441) 13.181 3.216 ( 5.110 5.037 -1.746) 7.385 3.289 ( 6.880 3.020 -5.734) 9.452 3.589 ( -7.915 -5.586 -1.704) 9.837 3.641 ( 0.164 -4.919 5.652) 7.495 3.945 ( -0.803 -4.223 -0.118) 4.300 4.037 ( -2.236 -3.490 -0.897) 4.241 4.058 ( 1.960 -8.177 -4.005) 9.314 4.150 ( -5.903 -6.740 1.902) 9.159 4.199 ( -5.173 -7.875 4.796) 10.572 4.317 ( 1.317 -2.011 -1.092) 2.640 4.507 ( 1.587 -1.872 -3.430) 4.218 4.591 ( -1.089 -3.892 2.908) 4.979 4.644 ( 0.038 0.449 4.491) 4.513 4.847 ( -0.712 -2.104 -4.363) 4.896 4.971 ( -2.644 2.299 -1.280) 3.730 4.984 ( 0.453 -1.203 -1.421) 1.916 5.190 ( -0.746 -2.160 3.891) 4.513 5.265 ( -1.339 -5.173 -3.636) 6.463 5.317 ( -0.632 -6.040 0.174) 6.076 5.431 ( 0.444 -1.151 3.638) 3.841 5.511 ( -1.309 -1.984 -1.680) 2.911 5.655 ( 0.690 -2.595 0.939) 2.845 6.032 ( 2.090 -2.257 -2.170) 3.765 6.068 ( 0.287 2.086 -6.714) 7.037 6.236 ( 0.594 2.519 6.188) 6.708 6.355 ( 0.395 1.461 -0.688) 1.662 6.649 ( -0.561 -0.162 3.597) 3.645 6.807 ( 0.990 -1.016 0.308) 1.452 7.504 ( -3.343 -4.513 0.013) 5.617 7.577 ( -2.218 -1.883 -3.006) 4.184 7.638 ( -4.307 -7.733 0.819) 8.889 7.712 ( 0.944 -1.860 0.735) 2.211 8.797 ( -1.367 0.496 2.830) 3.182 9.001 ( -3.011 2.300 -2.066) 4.316 9.140 ( 0.123 2.987 0.445) 3.022 9.202 ( -0.342 -2.372 0.711) 2.500 9.404 ( 2.985 -0.497 -0.938) 3.168 9.570 ( 4.271 -8.986 0.147) 9.950 9.669 ( -5.698 -0.232 1.469) 5.889 9.686 ( -5.513 0.798 -0.135) 5.572 9.821 ( -1.231 -1.401 -1.523) 2.408 9.911 ( -0.020 -5.587 2.052) 5.952 10.257 ( -5.820 -0.284 0.613) 5.859 10.340 ( 2.989 4.175 -5.528) 7.545 10.592 ( 4.493 6.206 4.759) 9.019 10.612 ( -1.086 -0.009 -0.953) 1.445 10.714 ( 7.115 7.253 -0.908) 10.201 10.841 ( 10.013 4.347 -2.590) 11.219 11.159 ( 6.408 5.064 4.672) 9.410 11.206 ( 5.869 5.032 -0.533) 7.750 11.465 ( -3.642 15.296 -3.870) 16.193 11.652 ( 1.300 21.865 1.059) 21.929 13.672 ( -9.783 -27.321 1.886) 29.081 13.776 ( -8.024 -25.160 -1.173) 26.434 15.459 ( 3.748 17.974 7.295) 19.757 15.979 ( 4.836 13.455 -14.623) 20.451 16.606 ( 0.638 -1.008 1.587) 1.985 16.703 ( 0.964 -1.107 -1.390) 2.022 ======================= Grid point 121 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 6.376 10.311 16.329) 20.338 1.336 ( 15.366 11.643 4.302) 19.753 1.619 ( 6.144 9.794 -5.433) 12.774 1.847 ( 4.765 1.026 -12.132) 13.074 2.019 ( -3.691 4.994 -2.532) 6.706 2.317 ( -0.260 -3.206 0.477) 3.251 2.394 ( 0.914 2.562 1.704) 3.210 2.450 ( 8.023 11.796 -1.975) 14.402 2.533 ( 20.526 24.729 4.619) 32.468 2.706 ( 6.533 12.334 -0.205) 13.958 2.822 ( 3.992 0.237 3.568) 5.359 2.933 ( 3.702 -2.435 1.126) 4.572 2.988 ( -5.052 -7.476 1.727) 9.187 3.076 ( -8.522 -7.345 -4.308) 12.047 3.233 ( 1.315 2.015 -1.069) 2.633 3.366 ( 7.084 3.474 -6.484) 10.212 3.513 ( -3.215 -2.085 -1.388) 4.075 3.696 ( -3.653 -5.280 6.925) 9.443 3.918 ( -4.724 -3.245 1.889) 6.035 4.020 ( -4.202 -2.210 -3.755) 6.053 4.110 ( -5.184 -7.328 -0.192) 8.978 4.135 ( -3.084 -6.539 1.234) 7.334 4.208 ( -1.948 -5.900 1.280) 6.344 4.330 ( -0.569 0.199 -2.174) 2.256 4.509 ( -0.299 -0.246 -1.534) 1.582 4.542 ( -6.355 -2.753 -0.731) 6.964 4.681 ( 0.905 -0.404 4.494) 4.602 4.802 ( -4.346 3.517 -1.483) 5.784 4.939 ( -0.246 -3.408 0.288) 3.429 5.021 ( 0.431 -4.756 -3.137) 5.714 5.146 ( -6.614 1.071 6.295) 9.193 5.238 ( -4.565 -4.540 -3.434) 7.297 5.377 ( -2.720 -0.169 0.538) 2.778 5.410 ( 1.039 -6.250 -1.212) 6.450 5.557 ( 0.520 0.784 3.884) 3.996 5.665 ( -0.890 -1.651 -2.810) 3.378 6.040 ( 0.860 -0.823 -5.625) 5.749 6.133 ( 5.366 -2.096 -0.513) 5.783 6.252 ( 2.532 1.993 5.656) 6.509 6.357 ( 1.003 0.305 -2.065) 2.315 6.632 ( -1.539 2.397 2.415) 3.735 6.823 ( -0.559 0.025 1.354) 1.465 7.454 ( -6.255 -2.824 0.030) 6.863 7.524 ( -2.907 -1.736 -0.882) 3.499 7.624 ( -6.168 -6.883 -0.395) 9.251 7.743 ( 0.361 -0.921 -0.510) 1.113 8.830 ( 2.874 -0.990 3.525) 4.654 8.935 ( -1.372 0.445 -1.951) 2.426 9.138 ( 2.923 1.300 -0.302) 3.213 9.212 ( -1.196 -1.264 -0.666) 1.863 9.482 ( 4.478 1.393 -2.437) 5.285 9.541 ( -3.312 0.618 1.276) 3.603 9.621 ( -2.196 -2.826 1.981) 4.091 9.742 ( -2.159 -2.436 0.435) 3.284 9.775 ( -1.795 -8.021 -2.577) 8.614 9.900 ( -6.299 -3.074 2.022) 7.295 10.249 ( 1.222 -3.225 1.794) 3.888 10.409 ( 8.112 -0.433 -5.626) 9.881 10.589 ( 1.443 6.030 2.512) 6.690 10.620 ( 1.442 0.203 -0.021) 1.456 10.759 ( 5.386 10.241 -1.303) 11.644 10.852 ( 1.582 11.521 3.542) 12.156 11.085 ( -4.480 7.413 4.017) 9.548 11.315 ( 7.485 3.974 -6.895) 10.925 11.422 ( 11.926 7.150 -2.779) 14.180 11.586 ( 14.581 13.087 3.533) 19.909 13.684 ( -17.769 -21.279 1.689) 27.774 13.782 ( -17.216 -20.123 -1.057) 26.504 15.454 ( 10.186 11.361 9.573) 18.013 15.882 ( 5.372 13.271 -15.735) 21.273 16.647 ( 2.933 0.489 0.945) 3.120 16.712 ( 0.129 0.600 -1.369) 1.500 ======================= Grid point 126 (56/95) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -8.977 -0.000 7.331) 11.590 1.771 ( -3.117 -0.000 -0.428) 3.147 1.895 ( -4.646 -0.000 -0.360) 4.660 1.969 ( -3.854 -0.000 -2.245) 4.460 2.054 ( 2.673 0.000 0.675) 2.757 2.245 ( 2.423 0.000 -3.489) 4.248 2.532 ( 0.362 0.000 2.214) 2.244 2.606 ( 4.913 0.000 0.239) 4.919 2.680 ( 1.656 0.000 -0.791) 1.835 2.698 ( 0.706 0.000 0.154) 0.723 2.831 ( 1.266 0.000 0.241) 1.288 2.939 ( -1.934 -0.000 -6.087) 6.387 3.141 ( 7.408 0.000 -0.371) 7.417 3.259 ( 4.387 0.000 -1.332) 4.585 3.289 ( 0.523 0.000 0.777) 0.937 3.377 ( 9.155 0.000 5.021) 10.442 3.589 ( 4.981 0.000 2.309) 5.490 3.687 ( -12.821 -0.000 -5.829) 14.084 3.819 ( -1.499 -0.000 3.168) 3.505 3.824 ( 9.946 0.000 -1.867) 10.120 3.896 ( -2.261 -0.000 2.799) 3.598 3.939 ( 0.763 0.000 -3.429) 3.513 4.169 ( -7.141 -0.000 7.984) 10.711 4.342 ( -5.387 -0.000 -4.491) 7.013 4.418 ( -5.640 -0.000 0.257) 5.645 4.429 ( -2.161 -0.000 1.386) 2.567 4.697 ( -1.607 -0.000 2.068) 2.618 4.743 ( 0.149 0.000 0.519) 0.540 4.955 ( 2.397 0.000 -0.382) 2.427 5.010 ( 1.770 0.000 1.218) 2.149 5.066 ( 2.307 0.000 -1.616) 2.817 5.180 ( -2.344 -0.000 1.158) 2.615 5.246 ( 0.060 0.000 -2.883) 2.884 5.353 ( -1.923 -0.000 -0.725) 2.055 5.480 ( 3.418 0.000 -2.478) 4.222 5.544 ( 1.076 0.000 2.320) 2.558 6.031 ( -0.604 -0.000 -3.904) 3.950 6.188 ( 1.210 0.000 6.597) 6.707 6.207 ( -1.547 -0.000 -7.494) 7.652 6.410 ( 0.545 0.000 1.599) 1.690 6.709 ( -3.726 -0.000 3.546) 5.144 6.709 ( 2.844 0.000 -3.687) 4.656 7.362 ( -3.137 -0.000 0.352) 3.157 7.367 ( -3.055 -0.000 0.233) 3.064 7.588 ( 3.069 0.000 2.807) 4.159 7.772 ( 1.955 0.000 -1.480) 2.453 8.895 ( -0.368 -0.000 5.685) 5.697 8.990 ( 8.868 0.000 -5.246) 10.304 9.094 ( 1.610 0.000 0.610) 1.722 9.126 ( 1.512 0.000 -0.205) 1.526 9.376 ( -1.699 -0.000 0.528) 1.779 9.392 ( -1.412 -0.000 -0.198) 1.426 9.671 ( 4.873 0.000 2.191) 5.343 9.672 ( 1.819 0.000 -0.333) 1.849 9.722 ( 1.814 0.000 1.718) 2.498 9.842 ( 4.600 0.000 -1.453) 4.824 10.333 ( 9.206 0.000 2.317) 9.493 10.368 ( -0.853 -0.000 0.535) 1.006 10.560 ( -2.659 -0.000 1.848) 3.238 10.769 ( -3.234 -0.000 -7.136) 7.835 10.980 ( -15.321 -0.000 -2.184) 15.476 11.009 ( -20.089 -0.000 0.849) 20.107 11.091 ( 3.987 0.000 1.687) 4.330 11.198 ( -0.542 -0.000 -3.498) 3.540 12.221 ( 7.728 0.000 3.978) 8.692 12.417 ( 6.591 0.000 -2.031) 6.897 12.778 ( -0.510 -0.000 5.352) 5.377 12.834 ( 6.476 0.000 -3.913) 7.566 16.135 ( -5.729 -0.000 2.853) 6.400 16.205 ( -2.826 -0.000 -2.638) 3.866 16.531 ( 1.435 0.000 0.692) 1.593 16.550 ( 1.085 0.000 -2.303) 2.546 ======================= Grid point 128 (57/95) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -2.719 6.546 8.294) 10.910 1.735 ( 0.579 2.842 -0.191) 2.907 1.785 ( -0.099 10.538 1.003) 10.586 1.929 ( -0.699 -0.448 -4.952) 5.022 2.105 ( 0.963 -2.900 2.247) 3.793 2.242 ( -1.515 -0.526 -4.788) 5.050 2.559 ( 0.600 -0.346 2.571) 2.663 2.638 ( 1.392 3.290 -0.799) 3.660 2.674 ( -2.049 2.332 1.130) 3.303 2.718 ( -0.277 -4.026 -0.193) 4.040 2.865 ( 0.348 -5.411 -1.808) 5.715 2.953 ( 0.914 -5.435 -4.982) 7.430 3.233 ( -1.220 8.058 1.364) 8.263 3.259 ( 5.142 5.431 2.045) 7.753 3.279 ( 3.143 7.211 1.451) 7.998 3.389 ( -8.479 3.825 -2.858) 9.731 3.579 ( 4.064 1.901 0.396) 4.504 3.634 ( -0.521 -1.871 -1.319) 2.348 3.782 ( 0.165 -1.729 2.006) 2.654 3.879 ( -1.778 1.992 -2.299) 3.523 3.991 ( 5.031 -3.254 3.021) 6.710 4.022 ( -7.743 -2.586 4.047) 9.111 4.086 ( 4.610 -6.062 0.577) 7.637 4.179 ( -2.826 0.647 -0.710) 2.985 4.399 ( 0.330 -3.085 0.899) 3.231 4.455 ( 1.977 -1.031 -1.631) 2.763 4.684 ( -0.629 -0.003 1.387) 1.523 4.748 ( -1.144 -2.786 -0.120) 3.015 4.981 ( 0.257 0.539 1.288) 1.420 5.063 ( 2.059 0.885 0.167) 2.247 5.075 ( 0.978 -0.127 0.611) 1.160 5.151 ( -2.820 -4.635 -2.040) 5.796 5.254 ( 1.670 -0.623 -1.467) 2.308 5.324 ( -0.475 -0.287 -1.781) 1.865 5.534 ( 0.305 -0.169 0.742) 0.820 5.550 ( -0.125 -1.725 0.382) 1.771 6.010 ( -0.447 0.240 -2.041) 2.103 6.159 ( -0.753 1.140 -7.897) 8.015 6.239 ( 1.981 0.169 6.456) 6.755 6.408 ( -0.390 1.004 -0.110) 1.083 6.648 ( -3.817 -0.492 2.136) 4.402 6.753 ( 2.361 -0.696 -1.949) 3.139 7.344 ( -0.297 -2.647 0.650) 2.741 7.372 ( 0.389 -4.967 -0.297) 4.991 7.629 ( 0.638 0.419 3.475) 3.558 7.766 ( -0.864 1.559 -1.917) 2.618 8.871 ( -3.421 0.735 4.625) 5.800 9.095 ( 2.481 0.666 -3.261) 4.151 9.123 ( 1.111 -0.835 -0.305) 1.423 9.151 ( 0.753 -2.660 -0.421) 2.797 9.357 ( -0.042 1.244 0.819) 1.490 9.387 ( 0.189 -0.591 -0.348) 0.711 9.701 ( 0.280 -1.609 -0.021) 1.633 9.707 ( -0.504 -1.327 -0.247) 1.441 9.773 ( -0.141 -1.431 4.026) 4.275 9.878 ( 1.086 2.174 0.313) 2.450 10.354 ( -0.354 0.818 2.367) 2.529 10.525 ( -5.132 -0.963 -2.643) 5.853 10.555 ( 4.254 1.342 3.139) 5.454 10.636 ( 3.536 -0.543 -2.121) 4.159 10.732 ( -7.949 2.682 -4.136) 9.353 10.785 ( -2.763 -0.568 -4.063) 4.946 11.170 ( 5.384 1.957 1.697) 5.975 11.227 ( 3.046 1.010 -0.229) 3.217 12.167 ( -1.782 20.448 3.439) 20.812 12.349 ( 2.146 20.925 -3.657) 21.351 12.892 ( -3.597 -24.054 4.192) 24.680 13.046 ( 1.542 -22.506 -1.971) 22.645 15.988 ( -1.974 13.768 3.530) 14.349 16.187 ( 1.326 0.793 -4.070) 4.353 16.547 ( -0.725 -1.920 0.134) 2.057 16.588 ( 1.517 -3.450 -1.431) 4.031 ======================= Grid point 129 (58/95) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 4.891 9.227 8.958) 13.759 1.668 ( 3.810 16.297 2.360) 16.902 1.760 ( 3.876 3.989 -0.998) 5.651 1.905 ( 1.910 3.421 -7.786) 8.716 2.163 ( 0.050 -4.993 2.582) 5.621 2.191 ( -2.779 -0.339 -4.414) 5.227 2.507 ( -1.543 6.144 0.992) 6.412 2.637 ( 2.205 0.995 3.659) 4.386 2.683 ( -0.497 -3.139 0.499) 3.217 2.753 ( -2.193 -6.858 0.375) 7.210 2.890 ( -4.977 -7.548 -2.106) 9.283 2.952 ( -2.463 1.701 -3.912) 4.925 3.066 ( -0.776 15.068 1.295) 15.144 3.163 ( -5.674 7.243 -2.404) 9.510 3.243 ( 3.816 4.938 0.011) 6.240 3.392 ( 4.872 1.307 4.236) 6.587 3.555 ( -0.796 1.455 -2.633) 3.112 3.640 ( 3.886 6.002 0.419) 7.163 3.805 ( -7.534 -6.632 1.298) 10.121 3.868 ( -1.893 -7.135 -2.212) 7.706 3.965 ( -0.802 -5.287 -0.702) 5.394 4.060 ( -1.325 -4.001 2.022) 4.675 4.097 ( 0.185 -0.571 2.683) 2.749 4.325 ( 8.259 1.986 -0.739) 8.526 4.469 ( 3.940 -1.157 -1.093) 4.250 4.503 ( 0.732 -3.958 0.846) 4.113 4.667 ( -1.414 0.959 2.598) 3.109 4.777 ( 1.183 -3.628 0.032) 3.817 4.970 ( -1.927 -0.912 1.554) 2.638 5.017 ( -3.088 1.555 -2.864) 4.489 5.121 ( -1.684 -3.814 0.446) 4.193 5.170 ( 1.520 -2.986 -0.052) 3.352 5.274 ( 0.325 0.848 -0.808) 1.215 5.379 ( 4.877 -3.413 -0.382) 5.965 5.475 ( -5.328 -1.330 -1.480) 5.688 5.595 ( 0.354 -2.816 1.649) 3.282 6.006 ( 0.711 -0.266 -1.129) 1.360 6.111 ( -0.168 1.654 -7.873) 8.047 6.279 ( 1.133 1.510 6.113) 6.397 6.383 ( -0.569 1.135 -1.111) 1.687 6.618 ( -1.548 -2.233 1.518) 3.113 6.791 ( 1.488 -0.523 0.033) 1.577 7.395 ( 0.969 -4.426 0.288) 4.540 7.455 ( 1.474 -6.350 -0.787) 6.566 7.615 ( -2.861 1.047 2.893) 4.202 7.715 ( -1.626 1.395 -1.629) 2.691 8.809 ( -3.064 0.640 2.174) 3.811 9.045 ( -4.158 2.042 -1.645) 4.916 9.132 ( -1.431 -2.050 -0.202) 2.508 9.187 ( -0.827 -1.672 1.214) 2.226 9.377 ( 2.290 -1.820 0.312) 2.942 9.416 ( 2.363 -2.879 -0.593) 3.771 9.666 ( -5.679 -0.345 1.408) 5.861 9.697 ( -2.164 -0.693 -0.345) 2.298 9.785 ( -2.719 -4.847 1.686) 5.808 9.839 ( -3.006 1.332 -0.280) 3.300 10.269 ( -7.209 1.819 2.122) 7.732 10.415 ( 2.840 1.182 -3.675) 4.792 10.592 ( -3.646 0.600 -2.458) 4.438 10.687 ( 5.607 2.627 6.229) 8.783 10.763 ( 5.566 -0.844 -2.807) 6.290 10.886 ( 12.023 0.700 -3.962) 12.679 11.253 ( 7.486 3.808 -0.745) 8.432 11.304 ( 9.079 3.428 0.646) 9.726 11.856 ( -7.463 22.478 1.684) 23.744 12.116 ( -1.396 22.501 -1.132) 22.573 13.079 ( -8.865 -29.622 2.879) 31.053 13.259 ( -5.064 -24.591 -1.376) 25.145 15.836 ( 2.049 17.701 4.650) 18.416 16.192 ( 4.636 6.755 -6.919) 10.724 16.558 ( -0.684 -3.444 0.671) 3.575 16.649 ( 1.164 -3.691 -0.864) 3.966 ======================= Grid point 130 (59/95) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 7.167 10.158 10.516) 16.283 1.602 ( 7.753 14.243 1.397) 16.276 1.773 ( 3.374 5.297 -2.465) 6.747 1.892 ( 3.152 3.534 -7.471) 8.845 2.114 ( -2.514 3.727 -4.536) 6.387 2.226 ( 0.314 -4.933 2.142) 5.387 2.451 ( -0.269 3.670 2.062) 4.218 2.651 ( -1.012 4.442 -0.003) 4.556 2.702 ( 1.248 -3.646 3.385) 5.129 2.787 ( -2.645 -8.099 2.140) 8.785 2.856 ( -6.076 -8.167 -3.301) 10.701 2.894 ( -0.724 0.696 0.338) 1.060 2.969 ( 5.873 12.797 1.552) 14.165 3.049 ( 2.048 4.212 -4.866) 6.754 3.272 ( 3.692 4.413 0.142) 5.755 3.420 ( 1.426 2.938 -3.438) 4.742 3.581 ( 3.597 0.176 2.944) 4.652 3.653 ( 3.753 5.843 2.336) 7.326 3.761 ( -6.964 -10.076 0.505) 12.258 3.856 ( -6.347 -10.431 -2.002) 12.373 4.016 ( -0.441 -2.132 -0.619) 2.264 4.087 ( -0.933 0.206 1.182) 1.520 4.128 ( 3.445 -1.911 1.515) 4.221 4.373 ( 2.187 3.193 -2.684) 4.710 4.501 ( -5.031 -0.263 2.413) 5.586 4.518 ( 2.040 1.473 -2.180) 3.329 4.670 ( 1.096 -0.575 4.027) 4.213 4.834 ( 0.097 -1.741 0.066) 1.744 4.893 ( -7.183 1.030 -0.803) 7.301 4.973 ( 0.192 -1.596 -1.748) 2.375 5.101 ( -4.864 -5.239 -2.869) 7.703 5.204 ( -3.303 1.475 5.111) 6.261 5.289 ( 2.402 -4.325 0.013) 4.948 5.385 ( -2.920 0.334 -1.010) 3.108 5.527 ( 5.151 -4.205 -1.242) 6.764 5.614 ( -1.980 -2.441 1.131) 3.340 6.022 ( 0.915 -0.525 -5.052) 5.161 6.108 ( 3.494 -0.631 -2.662) 4.437 6.293 ( 1.178 1.910 5.199) 5.663 6.367 ( 0.151 0.556 -1.891) 1.977 6.634 ( -0.604 -2.363 1.267) 2.749 6.813 ( -0.033 -0.493 1.887) 1.951 7.424 ( -1.874 -0.197 -1.225) 2.247 7.499 ( -4.483 -3.386 1.824) 5.906 7.536 ( -1.543 0.941 -1.308) 2.231 7.711 ( 1.043 -2.277 -0.105) 2.507 8.796 ( 1.178 -1.437 2.066) 2.779 8.947 ( -3.764 0.655 -1.373) 4.060 9.130 ( -1.186 -3.579 -2.417) 4.479 9.183 ( -0.475 -0.528 2.805) 2.893 9.458 ( 4.796 -1.796 -0.738) 5.174 9.535 ( 0.857 -8.017 1.109) 8.139 9.563 ( -4.186 -1.548 0.465) 4.487 9.642 ( -2.584 2.450 0.060) 3.561 9.727 ( -5.208 -1.568 -2.042) 5.809 9.810 ( -3.992 -5.229 1.878) 6.841 10.202 ( -0.616 -0.352 3.319) 3.394 10.449 ( 4.361 4.307 -7.883) 9.985 10.560 ( -1.485 -3.456 3.261) 4.978 10.699 ( 0.371 1.715 -0.737) 1.903 10.920 ( 7.857 5.432 0.055) 9.552 10.990 ( 4.660 2.785 1.106) 5.540 11.330 ( 1.231 10.090 9.186) 13.700 11.419 ( 6.900 10.371 -7.007) 14.292 11.587 ( 6.958 9.454 -6.363) 13.353 11.908 ( 4.581 17.378 3.045) 18.228 13.176 ( -14.595 -27.623 2.618) 31.351 13.343 ( -12.129 -22.006 -1.315) 25.162 15.743 ( 5.502 16.208 6.269) 18.228 16.142 ( 2.772 11.736 -8.733) 14.889 16.615 ( 2.428 -4.139 0.308) 4.808 16.689 ( -0.149 -2.711 -0.383) 2.742 ======================= Grid point 131 (60/95) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 2.305 7.659 9.655) 12.538 1.695 ( 11.762 7.867 2.209) 14.322 1.775 ( 4.462 5.451 -3.032) 7.669 1.889 ( 1.923 1.865 -6.046) 6.613 2.012 ( -1.674 5.103 -4.590) 7.065 2.279 ( 0.044 -3.204 2.011) 3.783 2.418 ( -0.250 1.307 0.192) 1.344 2.598 ( -0.056 3.331 1.699) 3.740 2.745 ( -3.382 -3.889 -0.774) 5.211 2.808 ( -6.183 -5.845 -1.756) 8.688 2.840 ( -3.866 -5.099 2.833) 6.998 2.900 ( 4.572 -1.661 -0.447) 4.885 3.026 ( 9.827 5.641 0.169) 11.332 3.146 ( 10.331 -0.494 -2.383) 10.614 3.274 ( 4.639 8.984 1.585) 10.234 3.419 ( 4.338 3.077 -6.039) 8.047 3.604 ( -4.621 -1.713 5.179) 7.149 3.693 ( 6.732 3.830 1.649) 7.919 3.783 ( -1.424 -5.824 1.438) 6.166 3.861 ( -2.625 -7.305 -2.459) 8.143 3.966 ( -4.098 0.502 0.988) 4.245 4.095 ( -0.235 -2.425 -2.214) 3.292 4.183 ( 0.790 0.500 2.556) 2.721 4.351 ( -1.273 6.256 -1.185) 6.493 4.387 ( -5.367 -2.824 0.152) 6.066 4.528 ( 1.087 1.063 -0.947) 1.791 4.696 ( -4.715 0.672 0.700) 4.814 4.702 ( -3.842 2.170 2.199) 4.930 4.841 ( -5.330 -5.177 -1.045) 7.503 4.981 ( -2.854 -1.813 0.106) 3.383 5.053 ( -2.402 -1.883 -0.737) 3.140 5.136 ( -3.043 -1.297 1.089) 3.483 5.343 ( -1.305 0.510 -1.388) 1.972 5.389 ( 2.887 -3.818 0.517) 4.815 5.566 ( -3.295 2.151 3.373) 5.183 5.636 ( 2.421 -3.040 -2.136) 4.435 6.035 ( 1.560 -1.330 -5.341) 5.721 6.206 ( 5.059 -1.941 -1.356) 5.586 6.333 ( 2.903 0.386 5.312) 6.065 6.362 ( 0.628 -0.197 -2.539) 2.622 6.625 ( -1.643 1.074 -0.560) 2.041 6.808 ( -1.964 -0.371 3.805) 4.299 7.329 ( -5.340 1.597 -2.531) 6.122 7.401 ( -7.122 -1.730 1.705) 7.524 7.575 ( 3.101 -1.313 0.329) 3.383 7.757 ( 1.810 -0.727 -1.015) 2.199 8.864 ( 0.176 -0.476 -1.178) 1.283 8.926 ( 3.115 -3.260 3.447) 5.675 9.153 ( -0.822 -4.112 -3.429) 5.417 9.206 ( 2.272 -0.175 1.981) 3.019 9.479 ( -3.123 0.220 1.970) 3.699 9.562 ( 3.115 0.191 -3.151) 4.435 9.575 ( -0.411 -2.012 0.005) 2.053 9.636 ( -2.820 -5.010 -1.125) 5.858 9.692 ( -0.966 -3.325 1.749) 3.879 9.795 ( -2.513 -2.887 0.761) 3.903 10.259 ( 3.125 -3.708 2.647) 5.525 10.471 ( 2.096 -3.695 -2.547) 4.953 10.575 ( -1.470 -1.739 0.158) 2.283 10.671 ( -0.669 4.808 -2.763) 5.585 10.819 ( -4.260 8.476 -3.044) 9.962 11.051 ( -5.074 17.034 6.336) 18.869 11.103 ( 2.728 3.296 3.044) 5.251 11.432 ( 2.763 4.456 -4.089) 6.649 11.766 ( 18.999 6.594 -1.634) 20.177 12.020 ( 19.061 9.429 0.842) 21.282 13.129 ( -19.928 -21.569 2.573) 29.478 13.269 ( -17.643 -16.220 -1.405) 24.007 15.744 ( 6.880 9.106 7.258) 13.525 16.024 ( 1.242 10.950 -8.414) 13.865 16.682 ( -0.773 -2.902 -3.097) 4.314 16.722 ( 3.393 -0.316 2.297) 4.109 ======================= Grid point 137 (61/95) ======================= q-point: ( 0.56 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 4.215 0.000 6.002) 7.334 1.783 ( 3.347 0.000 0.905) 3.467 1.909 ( 4.473 0.000 -0.023) 4.473 1.926 ( 3.299 0.000 -2.575) 4.185 2.100 ( -0.487 -0.000 3.419) 3.454 2.172 ( -3.706 -0.000 -5.829) 6.907 2.579 ( 0.682 0.000 2.325) 2.423 2.611 ( -3.346 -0.000 0.750) 3.429 2.658 ( -2.550 -0.000 -1.550) 2.984 2.675 ( -2.392 -0.000 0.046) 2.392 2.807 ( -2.042 -0.000 -0.616) 2.133 2.953 ( 1.023 0.000 -4.683) 4.794 3.179 ( -10.954 -0.000 -3.639) 11.543 3.223 ( -3.575 -0.000 1.999) 4.096 3.348 ( 1.040 0.000 0.576) 1.189 3.404 ( 4.629 0.000 6.058) 7.625 3.579 ( -1.135 -0.000 -2.628) 2.863 3.717 ( -1.565 -0.000 -2.912) 3.306 3.739 ( -8.539 -0.000 0.482) 8.553 3.820 ( 0.309 0.000 2.012) 2.035 3.908 ( 3.819 0.000 0.514) 3.854 4.004 ( -0.642 -0.000 -1.775) 1.887 4.093 ( 2.290 0.000 4.249) 4.826 4.346 ( 12.579 0.000 0.118) 12.580 4.460 ( -0.308 -0.000 -0.544) 0.625 4.468 ( 7.560 0.000 1.753) 7.760 4.666 ( -1.155 -0.000 1.681) 2.040 4.742 ( 1.372 0.000 0.002) 1.372 4.959 ( -3.735 -0.000 2.874) 4.713 5.022 ( -4.171 -0.000 -3.534) 5.467 5.076 ( -2.176 -0.000 -2.189) 3.086 5.150 ( 4.304 0.000 3.977) 5.860 5.304 ( 4.071 0.000 -1.646) 4.391 5.323 ( 1.517 0.000 -3.278) 3.612 5.460 ( -5.779 -0.000 -0.422) 5.795 5.562 ( 0.059 0.000 1.160) 1.161 6.007 ( 0.636 0.000 0.085) 0.642 6.128 ( -0.943 -0.000 -8.290) 8.344 6.294 ( 1.678 0.000 6.471) 6.685 6.396 ( -1.083 -0.000 -1.663) 1.984 6.590 ( -2.516 -0.000 0.375) 2.544 6.785 ( 1.802 0.000 -0.311) 1.829 7.363 ( 3.220 0.000 0.314) 3.235 7.369 ( 2.851 0.000 0.316) 2.868 7.628 ( -2.530 -0.000 4.177) 4.883 7.735 ( -2.703 -0.000 -2.896) 3.962 8.817 ( -3.502 -0.000 2.091) 4.079 9.086 ( -3.175 -0.000 -0.788) 3.271 9.114 ( -2.769 -0.000 -0.066) 2.770 9.119 ( -1.496 -0.000 -0.469) 1.568 9.377 ( 1.436 0.000 0.464) 1.509 9.396 ( 1.675 0.000 -0.134) 1.680 9.661 ( -5.417 -0.000 1.116) 5.531 9.692 ( -0.675 -0.000 0.368) 0.769 9.715 ( -3.791 -0.000 2.428) 4.502 9.862 ( -4.796 -0.000 -1.761) 5.109 10.311 ( -8.628 -0.000 2.011) 8.860 10.394 ( 3.561 0.000 3.110) 4.728 10.623 ( -3.341 -0.000 -6.765) 7.545 10.718 ( -1.177 -0.000 -4.412) 4.566 10.732 ( 12.430 0.000 7.180) 14.354 10.891 ( 12.662 0.000 -4.426) 13.414 11.296 ( 7.317 0.000 -0.451) 7.331 11.337 ( 10.414 0.000 -1.964) 10.597 12.247 ( -7.191 -0.000 4.893) 8.698 12.448 ( -4.053 -0.000 -3.901) 5.625 12.615 ( -10.039 -0.000 3.004) 10.479 12.902 ( -1.734 -0.000 -0.439) 1.789 16.084 ( 2.373 0.000 1.400) 2.755 16.223 ( 4.267 0.000 -1.250) 4.446 16.516 ( -1.384 -0.000 -0.365) 1.431 16.594 ( 1.122 0.000 -1.176) 1.626 ======================= Grid point 139 (62/95) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 7.992 4.407 4.656) 10.246 1.830 ( 0.980 2.209 0.496) 2.467 1.902 ( 4.574 11.723 0.336) 12.588 1.976 ( 2.509 3.974 -4.156) 6.273 2.120 ( -0.384 -3.705 1.986) 4.221 2.141 ( 0.312 -3.499 -2.600) 4.370 2.528 ( -3.535 3.475 2.079) 5.375 2.596 ( -1.394 -2.797 1.855) 3.634 2.635 ( -2.225 -4.774 -0.826) 5.332 2.654 ( -2.992 -5.190 -1.902) 6.286 2.779 ( -0.733 0.948 1.615) 2.011 2.903 ( -3.616 -0.356 -2.071) 4.182 3.014 ( -6.584 -0.952 -1.756) 6.881 3.177 ( 0.933 3.705 -1.945) 4.287 3.354 ( 2.446 2.609 0.969) 3.705 3.470 ( -0.022 -0.973 5.266) 5.355 3.563 ( 1.056 0.263 -3.678) 3.835 3.604 ( -8.097 -3.819 -0.742) 8.983 3.635 ( -4.205 -3.988 2.284) 6.229 3.863 ( 6.250 6.158 -1.666) 8.930 4.010 ( 4.465 0.559 -1.646) 4.792 4.067 ( 4.160 -2.191 0.521) 4.731 4.115 ( 1.085 0.197 1.504) 1.865 4.391 ( -4.615 -0.754 -0.244) 4.682 4.551 ( 6.734 4.072 0.830) 7.913 4.600 ( 7.527 4.600 1.409) 8.933 4.658 ( 0.005 -0.968 1.903) 2.136 4.795 ( 2.362 -1.572 2.899) 4.057 4.890 ( -5.567 -1.710 2.514) 6.343 4.935 ( -4.551 -1.433 -4.391) 6.484 5.020 ( -4.098 -1.878 -2.172) 5.004 5.237 ( 0.974 1.056 6.830) 6.980 5.261 ( -2.725 1.418 -4.540) 5.481 5.369 ( -0.399 -2.856 -4.781) 5.584 5.442 ( 4.828 -1.741 0.513) 5.158 5.567 ( -0.641 -1.892 1.068) 2.265 6.033 ( 2.027 1.315 -0.402) 2.449 6.090 ( -0.004 -1.196 -5.796) 5.919 6.327 ( 0.636 1.187 5.436) 5.601 6.373 ( -0.501 -0.022 -2.774) 2.819 6.572 ( -0.909 -2.360 -0.050) 2.530 6.809 ( 0.451 -0.067 1.315) 1.392 7.431 ( 4.592 0.776 0.198) 4.661 7.455 ( 2.887 -1.216 0.453) 3.165 7.565 ( -4.470 0.933 2.282) 5.105 7.666 ( -3.365 -1.415 -2.123) 4.223 8.781 ( -0.564 -0.155 0.456) 0.742 8.969 ( -5.921 1.520 -0.376) 6.125 9.067 ( -2.895 -1.305 -0.291) 3.189 9.116 ( -2.709 -5.157 1.015) 5.913 9.427 ( 4.273 0.054 0.432) 4.295 9.453 ( 4.266 -0.762 -0.343) 4.347 9.546 ( -6.549 -1.021 2.078) 6.946 9.659 ( -1.895 0.250 -0.256) 1.929 9.692 ( -3.188 -2.634 -0.345) 4.150 9.738 ( -6.254 -0.748 -1.343) 6.440 10.234 ( -1.115 2.380 4.951) 5.606 10.477 ( 0.420 -3.079 5.779) 6.561 10.564 ( 1.707 5.352 -8.687) 10.345 10.677 ( -1.580 -3.236 -5.262) 6.377 10.984 ( 11.479 1.223 8.072) 14.086 11.020 ( 3.946 0.689 -3.907) 5.596 11.432 ( 10.236 2.514 -2.469) 10.826 11.582 ( 17.665 2.716 -4.833) 18.515 11.937 ( -10.629 22.242 4.562) 25.070 12.241 ( -6.104 12.469 1.241) 13.938 12.608 ( -11.328 -25.361 0.466) 27.780 12.937 ( -5.899 -15.167 -0.073) 16.275 16.068 ( 4.352 13.770 2.174) 14.604 16.316 ( 5.349 2.277 -2.999) 6.541 16.502 ( -1.530 -3.672 0.455) 4.004 16.612 ( -1.048 -4.237 -0.743) 4.427 ======================= Grid point 140 (63/95) ======================= q-point: (-0.22 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -2.789 8.724 3.776) 9.906 1.813 ( 5.089 2.581 -0.481) 5.726 1.892 ( 3.981 6.858 0.435) 7.941 1.958 ( 2.159 4.808 -3.444) 6.296 2.107 ( -2.539 2.747 -2.584) 4.546 2.198 ( 0.810 -4.744 2.196) 5.290 2.442 ( -3.198 0.887 0.744) 3.401 2.587 ( -2.973 -2.630 0.430) 3.992 2.643 ( -3.485 -4.928 -1.759) 6.287 2.673 ( -0.322 -6.046 0.651) 6.089 2.802 ( 2.947 -0.066 1.734) 3.420 2.878 ( -0.284 -0.120 1.111) 1.153 2.976 ( -0.002 -5.555 -1.577) 5.775 3.200 ( 6.656 2.797 -2.774) 7.734 3.393 ( 2.427 1.840 3.180) 4.403 3.468 ( -1.425 -2.586 -4.970) 5.781 3.538 ( -2.672 -3.964 0.940) 4.872 3.617 ( 4.051 -4.049 -2.272) 6.162 3.655 ( 0.265 -2.262 6.792) 7.164 3.886 ( 2.075 4.694 -1.780) 5.432 4.055 ( 4.049 6.112 1.328) 7.451 4.077 ( -1.868 -0.549 -1.582) 2.508 4.169 ( -0.214 -1.424 0.997) 1.752 4.323 ( -2.586 -3.246 -0.171) 4.154 4.526 ( -0.982 8.915 0.795) 9.004 4.629 ( 3.677 6.826 1.200) 7.845 4.693 ( 0.130 0.239 -0.022) 0.273 4.758 ( -7.430 1.555 -1.255) 7.694 4.788 ( -3.834 1.378 2.197) 4.628 4.930 ( -1.850 -3.352 -1.709) 4.193 4.988 ( -1.375 -3.443 -0.890) 3.812 5.121 ( -5.080 -1.366 1.037) 5.362 5.337 ( 4.117 -0.771 3.337) 5.355 5.364 ( -0.066 0.896 -3.242) 3.364 5.541 ( 1.340 -3.474 -2.404) 4.432 5.593 ( 1.898 -1.368 2.181) 3.199 6.022 ( 0.553 0.389 -5.509) 5.550 6.161 ( 4.989 -2.317 0.426) 5.517 6.343 ( 1.443 0.548 3.761) 4.066 6.358 ( -0.723 -0.247 -2.417) 2.535 6.594 ( -0.352 -3.170 -0.195) 3.195 6.804 ( -1.593 0.274 2.517) 2.991 7.400 ( -4.662 2.409 1.645) 5.500 7.424 ( -4.326 5.826 -1.650) 7.442 7.553 ( 4.095 -1.106 -0.101) 4.243 7.705 ( 2.488 -4.520 -0.223) 5.164 8.818 ( 2.621 -2.638 1.354) 3.958 8.892 ( -1.561 -0.397 -0.806) 1.801 9.052 ( -1.302 -4.134 -2.113) 4.822 9.140 ( -1.495 -6.292 2.378) 6.891 9.463 ( -1.743 -1.071 1.057) 2.303 9.529 ( 2.138 -0.748 -1.328) 2.625 9.552 ( 6.386 -0.418 -0.143) 6.401 9.615 ( -2.427 0.831 -1.389) 2.918 9.648 ( -0.857 -1.880 0.198) 2.076 9.710 ( -1.843 -4.398 1.492) 4.996 10.231 ( 1.494 1.361 4.086) 4.558 10.460 ( -3.875 0.680 -0.622) 3.983 10.519 ( -2.264 -2.230 0.089) 3.179 10.721 ( 3.972 -0.033 -4.826) 6.250 10.971 ( -3.088 5.505 -6.771) 9.256 11.136 ( 3.774 0.463 4.202) 5.667 11.443 ( -8.550 18.827 10.330) 23.114 11.587 ( 1.917 12.080 -5.386) 13.365 11.855 ( 14.960 1.448 -3.320) 15.392 12.173 ( 9.862 4.277 1.444) 10.846 12.647 ( -13.284 -23.908 0.482) 27.355 12.961 ( -7.239 -12.505 0.286) 14.452 15.993 ( 2.757 14.412 3.251) 15.029 16.267 ( -0.377 12.106 -3.507) 12.610 16.556 ( -1.442 -9.305 -2.359) 9.707 16.664 ( 1.854 -5.364 1.730) 5.933 ======================= Grid point 141 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -6.302 2.383 4.009) 7.840 1.861 ( 0.246 0.653 -0.272) 0.749 1.881 ( 0.826 3.635 0.693) 3.791 1.935 ( 1.281 3.466 -2.288) 4.347 2.000 ( -2.910 3.207 -4.190) 6.026 2.263 ( 0.681 -2.973 2.657) 4.045 2.423 ( 0.448 -1.066 -1.339) 1.769 2.576 ( -0.313 -1.979 0.329) 2.030 2.628 ( -1.399 -2.109 0.017) 2.531 2.719 ( -0.863 -4.078 -1.189) 4.334 2.822 ( 1.937 3.567 2.897) 4.987 2.928 ( 2.838 -2.460 0.075) 3.757 3.077 ( 3.747 -5.535 -4.045) 7.812 3.287 ( 2.194 -1.825 -0.725) 2.944 3.377 ( -3.763 -0.852 1.535) 4.153 3.489 ( 1.200 -2.287 -1.774) 3.133 3.564 ( 3.216 3.671 1.575) 5.128 3.735 ( 5.072 -3.143 2.244) 6.375 3.785 ( 4.706 -4.511 3.481) 7.390 3.804 ( -3.331 1.046 -2.037) 4.042 3.937 ( -9.374 -0.535 0.125) 9.390 4.103 ( 4.588 4.600 -1.025) 6.577 4.191 ( 0.855 -3.490 0.355) 3.611 4.342 ( -1.709 7.549 2.024) 8.001 4.379 ( -1.529 1.478 -3.502) 4.097 4.535 ( -6.517 6.349 0.019) 9.098 4.632 ( 1.029 2.644 -1.101) 3.043 4.709 ( -2.939 -2.956 0.965) 4.279 4.747 ( 2.476 4.142 2.666) 5.513 4.901 ( -2.188 -0.514 1.710) 2.824 5.006 ( -0.128 -3.780 -1.568) 4.094 5.112 ( 0.718 -0.561 -0.706) 1.153 5.332 ( -0.646 1.990 -2.205) 3.039 5.421 ( 2.559 -1.789 2.952) 4.297 5.532 ( -1.961 1.287 -0.481) 2.395 5.661 ( 2.467 -1.425 0.301) 2.865 6.030 ( 1.087 -1.524 -4.713) 5.071 6.254 ( 2.390 -1.174 -2.764) 3.838 6.337 ( -1.568 -0.393 1.771) 2.398 6.413 ( 4.476 -2.262 2.782) 5.735 6.600 ( -0.784 0.261 -2.494) 2.627 6.772 ( -2.705 -0.738 4.068) 4.941 7.292 ( -2.136 5.000 -2.050) 5.811 7.316 ( -2.313 1.574 1.872) 3.366 7.635 ( 3.629 -0.211 0.516) 3.672 7.766 ( 0.402 -1.613 -0.973) 1.926 8.839 ( -0.981 -0.025 -3.191) 3.339 8.978 ( 4.828 -5.169 5.613) 9.029 9.086 ( 0.283 -4.437 -2.518) 5.110 9.205 ( 0.520 -6.126 2.165) 6.518 9.463 ( 0.820 0.224 -0.384) 0.932 9.533 ( -0.170 1.468 -1.669) 2.229 9.593 ( 0.368 -0.255 -0.762) 0.884 9.652 ( -0.644 -1.394 0.682) 1.680 9.661 ( 4.623 0.632 0.233) 4.672 9.755 ( 1.260 -1.854 0.659) 2.337 10.297 ( 3.928 -2.834 2.609) 5.501 10.417 ( -1.575 -5.575 -0.709) 5.836 10.515 ( -1.992 -3.892 0.976) 4.480 10.681 ( -4.124 8.165 -5.254) 10.549 10.834 ( -0.910 5.689 -3.276) 6.627 11.041 ( -10.274 12.752 0.480) 16.383 11.219 ( 0.769 3.104 5.878) 6.691 11.482 ( -2.209 5.844 -1.357) 6.393 12.081 ( 5.240 -3.936 0.504) 6.573 12.347 ( 2.846 -4.284 -0.087) 5.144 12.669 ( 0.196 -9.862 0.010) 9.864 12.973 ( 2.109 -1.354 0.289) 2.522 15.884 ( -3.952 7.361 2.261) 8.655 16.112 ( -0.983 10.128 -2.790) 10.551 16.604 ( -0.877 -5.887 -1.933) 6.258 16.768 ( 2.758 -3.765 1.394) 4.871 ======================= Grid point 148 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -6.397 -0.000 -0.944) 6.466 1.826 ( 6.212 0.000 1.160) 6.320 1.997 ( -1.976 -0.000 -1.640) 2.568 2.056 ( 4.462 0.000 -3.001) 5.377 2.096 ( -1.155 -0.000 3.356) 3.549 2.114 ( -0.298 -0.000 1.231) 1.266 2.469 ( -3.009 -0.000 -0.061) 3.010 2.512 ( -4.333 -0.000 2.022) 4.781 2.603 ( 0.466 0.000 -2.600) 2.642 2.620 ( 0.696 0.000 0.850) 1.098 2.823 ( -2.410 -0.000 -1.581) 2.882 2.831 ( 4.585 0.000 1.527) 4.833 2.926 ( -1.869 -0.000 1.243) 2.244 3.241 ( 4.320 0.000 -2.365) 4.925 3.367 ( -3.419 -0.000 -4.694) 5.807 3.404 ( -2.219 -0.000 5.715) 6.131 3.506 ( 2.356 0.000 1.877) 3.012 3.594 ( 2.834 0.000 -8.602) 9.057 3.656 ( 3.073 0.000 8.480) 9.019 3.952 ( -0.736 -0.000 0.338) 0.809 4.050 ( 0.905 0.000 -1.436) 1.697 4.149 ( 0.329 0.000 -2.405) 2.428 4.150 ( 3.436 0.000 1.641) 3.808 4.270 ( -3.729 -0.000 -0.164) 3.732 4.634 ( -1.801 -0.000 1.642) 2.437 4.679 ( -2.120 -0.000 -1.019) 2.353 4.718 ( -0.731 -0.000 1.724) 1.873 4.818 ( 1.136 0.000 0.864) 1.427 4.835 ( -1.372 -0.000 -3.870) 4.106 4.862 ( 3.372 0.000 5.908) 6.802 4.926 ( -3.728 -0.000 -0.296) 3.740 5.104 ( -7.864 -0.000 -2.150) 8.153 5.338 ( 3.846 0.000 3.873) 5.458 5.360 ( 1.274 0.000 -5.517) 5.662 5.523 ( 4.778 0.000 0.569) 4.812 5.555 ( 0.495 0.000 -0.449) 0.669 6.037 ( -1.031 -0.000 -6.434) 6.516 6.128 ( 5.466 0.000 3.417) 6.445 6.352 ( -0.552 -0.000 -4.785) 4.817 6.353 ( -0.138 -0.000 5.128) 5.130 6.552 ( 0.494 0.000 -0.574) 0.758 6.809 ( -1.136 -0.000 1.996) 2.296 7.438 ( -4.833 -0.000 2.742) 5.557 7.511 ( -3.319 -0.000 -2.566) 4.195 7.576 ( 4.953 0.000 0.318) 4.963 7.592 ( 2.894 0.000 -0.099) 2.896 8.790 ( 1.555 0.000 0.087) 1.558 8.892 ( -2.560 -0.000 -0.308) 2.579 9.027 ( -1.604 -0.000 0.562) 1.699 9.031 ( -2.033 -0.000 -0.213) 2.044 9.456 ( -2.201 -0.000 1.007) 2.421 9.531 ( 6.176 0.000 0.154) 6.178 9.547 ( 5.941 0.000 -0.327) 5.950 9.621 ( -1.809 -0.000 -1.942) 2.654 9.626 ( -1.948 -0.000 -0.410) 1.991 9.658 ( -2.158 -0.000 1.657) 2.721 10.268 ( 1.273 0.000 4.265) 4.451 10.432 ( -3.835 -0.000 6.701) 7.721 10.528 ( -7.033 -0.000 -5.540) 8.953 10.708 ( 7.682 0.000 -6.455) 10.034 11.028 ( -1.052 -0.000 -6.640) 6.723 11.137 ( 2.144 0.000 3.949) 4.494 11.645 ( 9.218 0.000 0.545) 9.234 11.843 ( 3.193 0.000 -2.928) 4.332 11.938 ( -3.106 -0.000 3.360) 4.576 12.050 ( -17.093 -0.000 11.787) 20.763 12.375 ( 4.778 0.000 -11.581) 12.528 12.821 ( 1.724 0.000 2.734) 3.232 16.256 ( 5.545 0.000 0.706) 5.589 16.345 ( -3.357 -0.000 -1.330) 3.611 16.477 ( -0.759 -0.000 1.510) 1.690 16.530 ( -1.175 -0.000 -1.503) 1.908 ======================= Grid point 149 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -10.785 3.426 -0.388) 11.323 1.844 ( -8.689 -1.796 -2.566) 9.236 1.930 ( 0.644 1.128 1.160) 1.742 2.024 ( -4.141 4.100 2.186) 6.224 2.064 ( -1.054 2.977 -1.014) 3.317 2.176 ( 2.752 -4.893 -0.006) 5.614 2.423 ( -2.798 1.644 0.502) 3.283 2.523 ( 3.005 -3.750 -1.922) 5.175 2.613 ( 1.314 0.934 0.483) 1.683 2.648 ( 2.131 -2.092 0.038) 2.987 2.822 ( 0.419 -3.238 -1.386) 3.548 2.928 ( 3.896 1.733 3.994) 5.843 2.969 ( 5.070 -3.094 -0.796) 5.992 3.257 ( -2.962 -0.619 -2.540) 3.950 3.302 ( -4.352 -3.820 0.492) 5.812 3.461 ( 4.891 -0.504 2.473) 5.504 3.614 ( 7.833 2.100 -3.943) 9.017 3.676 ( 8.098 -4.033 -1.299) 9.139 3.733 ( 4.053 1.220 6.217) 7.522 3.868 ( -6.969 2.619 0.233) 7.448 3.929 ( -13.214 -0.472 0.635) 13.238 4.102 ( -1.834 -2.666 -0.083) 3.237 4.213 ( 5.426 3.648 0.896) 6.599 4.330 ( 4.505 -1.848 -4.584) 6.687 4.522 ( -6.634 5.801 -0.152) 8.814 4.582 ( -8.161 -0.174 -2.093) 8.427 4.638 ( -4.409 -3.660 2.103) 6.104 4.795 ( 3.256 9.315 2.798) 10.257 4.844 ( 2.451 2.963 -4.681) 6.058 4.918 ( 0.279 1.835 8.042) 8.254 4.942 ( 1.352 -1.970 -1.233) 2.689 5.055 ( 1.005 -4.570 -1.084) 4.803 5.368 ( 1.303 0.666 -4.415) 4.651 5.401 ( 1.845 -0.385 3.823) 4.263 5.548 ( 1.143 1.773 -1.814) 2.783 5.621 ( 2.915 -2.670 0.480) 3.983 6.011 ( 0.058 -0.321 -4.986) 4.996 6.238 ( 3.930 -0.398 2.828) 4.858 6.320 ( -2.097 -0.851 -2.625) 3.466 6.374 ( 1.529 -1.168 3.795) 4.255 6.582 ( 2.126 -0.982 -1.864) 2.993 6.775 ( -3.099 0.468 1.869) 3.649 7.367 ( -1.502 2.317 1.991) 3.404 7.391 ( -4.013 3.250 -1.621) 5.412 7.642 ( 4.457 1.450 0.139) 4.688 7.706 ( 2.381 -3.873 -0.270) 4.554 8.830 ( 1.120 -0.736 0.223) 1.359 8.891 ( 2.132 -2.109 -0.260) 3.011 9.018 ( 1.497 -1.161 -0.903) 2.099 9.066 ( 0.937 -5.580 1.447) 5.840 9.461 ( 2.020 -0.159 -1.280) 2.397 9.572 ( 0.521 1.563 -0.617) 1.759 9.593 ( -0.851 -0.334 -0.421) 1.006 9.631 ( 0.287 -0.392 1.676) 1.745 9.666 ( 5.805 -0.355 -0.662) 5.853 9.708 ( 6.778 -1.633 1.275) 7.087 10.294 ( 2.174 2.275 3.057) 4.387 10.370 ( -6.565 -0.023 -1.314) 6.695 10.420 ( -3.492 -4.801 2.697) 6.521 10.797 ( 3.730 2.409 -4.039) 6.002 10.937 ( -3.959 4.134 -6.850) 8.927 11.120 ( -4.292 -1.659 -3.084) 5.539 11.486 ( -11.653 19.347 7.768) 23.884 11.662 ( -6.638 9.999 2.230) 12.207 11.882 ( -9.355 -13.766 4.757) 17.310 12.066 ( -8.629 -16.802 -2.256) 19.022 12.622 ( 23.999 0.960 -5.002) 24.533 12.981 ( 14.688 0.905 2.184) 14.877 16.080 ( -12.040 9.807 -1.064) 15.565 16.325 ( -3.348 6.533 0.583) 7.364 16.463 ( 3.509 -3.583 -1.200) 5.157 16.631 ( 2.192 -8.866 0.782) 9.166 ======================= Grid point 150 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -11.756 -0.572 4.426) 12.574 1.649 ( -15.554 -6.689 -1.248) 16.977 1.871 ( -7.901 1.564 1.052) 8.123 1.962 ( 2.181 0.553 -1.139) 2.522 2.029 ( 0.766 3.447 -4.032) 5.360 2.260 ( 1.923 -2.762 0.479) 3.399 2.349 ( -4.906 -1.940 0.107) 5.277 2.559 ( -1.976 -2.039 -1.290) 3.119 2.709 ( 6.394 -0.476 -0.143) 6.413 2.730 ( 8.431 1.048 -0.548) 8.514 2.851 ( -3.389 -6.641 -1.928) 7.700 2.979 ( -5.058 -3.139 -0.479) 5.972 3.000 ( -4.400 -1.264 5.580) 7.218 3.208 ( -0.948 -0.090 -1.609) 1.870 3.272 ( -0.827 -0.305 0.225) 0.910 3.498 ( -4.421 2.781 3.462) 6.266 3.615 ( -3.286 1.262 -5.080) 6.180 3.711 ( -6.444 -3.982 1.451) 7.713 3.765 ( -0.129 1.251 3.740) 3.946 3.864 ( 8.222 3.226 -2.630) 9.215 3.908 ( 9.357 -3.786 1.325) 10.181 4.117 ( 0.985 -4.451 -0.563) 4.593 4.234 ( 0.957 5.641 -1.692) 5.967 4.336 ( -3.070 3.215 -0.184) 4.449 4.408 ( 1.000 2.825 -2.013) 3.610 4.503 ( 2.837 -0.557 -1.101) 3.093 4.659 ( 0.831 -5.041 2.463) 5.672 4.748 ( 1.254 8.965 2.360) 9.355 4.864 ( 3.949 4.813 0.454) 6.242 4.916 ( 1.720 1.672 3.714) 4.421 4.996 ( 2.417 -1.177 -1.090) 2.901 5.123 ( 2.526 -1.924 -1.944) 3.723 5.360 ( 1.550 3.469 -2.434) 4.512 5.444 ( 1.020 -1.548 3.312) 3.795 5.534 ( 0.281 2.570 -1.926) 3.224 5.684 ( 1.629 -1.546 0.164) 2.252 6.014 ( 0.473 -1.532 -3.870) 4.189 6.235 ( -2.729 0.325 -3.209) 4.225 6.309 ( -1.492 -1.866 4.935) 5.483 6.462 ( 3.032 -3.119 2.869) 5.211 6.605 ( 1.118 1.921 -4.475) 4.997 6.717 ( -3.401 -1.314 2.289) 4.305 7.337 ( 2.623 3.173 0.350) 4.132 7.375 ( 5.494 4.019 0.514) 6.827 7.684 ( 1.162 0.832 0.820) 1.648 7.735 ( -1.263 -1.227 -1.328) 2.205 8.822 ( -0.656 1.302 -2.165) 2.610 8.996 ( 2.384 -6.437 3.008) 7.494 9.085 ( 3.683 -1.920 -0.640) 4.203 9.170 ( 2.936 -5.461 1.888) 6.481 9.468 ( -1.956 0.114 -1.448) 2.437 9.564 ( -0.642 0.597 -1.192) 1.480 9.583 ( 2.181 1.250 -0.726) 2.617 9.674 ( 3.039 0.207 2.417) 3.889 9.741 ( 3.957 1.648 -0.983) 4.398 9.827 ( 4.728 2.226 0.362) 5.238 10.313 ( -1.567 -6.078 -1.631) 6.485 10.354 ( 3.974 -3.576 3.554) 6.419 10.442 ( -1.273 -4.504 1.171) 4.825 10.680 ( -4.424 9.690 -5.189) 11.849 10.863 ( -0.836 3.164 -1.963) 3.816 10.959 ( -10.668 6.787 -0.887) 12.675 11.227 ( -4.106 2.969 2.769) 5.774 11.455 ( -7.947 5.828 1.578) 9.980 11.818 ( -15.630 -14.792 3.363) 21.781 11.985 ( -16.744 -13.653 -2.079) 21.704 13.075 ( 29.860 6.185 0.239) 30.494 13.282 ( 22.077 6.808 -0.178) 23.103 15.730 ( -18.359 2.395 -0.417) 18.519 16.187 ( -1.909 9.259 -1.162) 9.525 16.558 ( 2.203 -4.235 -0.769) 4.836 16.743 ( 0.538 -6.943 0.247) 6.968 ======================= Grid point 158 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -14.062 -0.000 3.075) 14.395 1.558 ( -17.822 -0.000 -1.884) 17.921 1.889 ( -11.156 -0.000 2.613) 11.458 1.974 ( 2.525 0.000 -2.287) 3.406 2.081 ( -0.947 -0.000 0.023) 0.947 2.190 ( 0.917 0.000 -3.803) 3.912 2.357 ( -3.410 -0.000 1.541) 3.742 2.532 ( -1.270 -0.000 -2.652) 2.940 2.696 ( 2.802 0.000 -0.959) 2.962 2.728 ( 6.027 0.000 1.447) 6.198 2.774 ( 1.105 0.000 -1.805) 2.117 2.887 ( -17.991 -0.000 1.183) 18.030 3.048 ( 5.991 0.000 5.961) 8.451 3.232 ( 8.328 0.000 -4.541) 9.486 3.251 ( -2.747 -0.000 3.369) 4.347 3.528 ( -0.098 -0.000 1.790) 1.793 3.645 ( -14.168 -0.000 1.985) 14.306 3.646 ( -5.901 -0.000 -5.744) 8.235 3.791 ( 2.852 0.000 0.635) 2.922 3.860 ( 11.416 0.000 1.535) 11.519 3.921 ( 12.037 0.000 0.281) 12.040 4.050 ( -1.386 -0.000 -1.344) 1.931 4.309 ( 2.516 0.000 3.840) 4.591 4.346 ( 0.081 0.000 -7.823) 7.823 4.461 ( -2.456 -0.000 -3.545) 4.313 4.527 ( 2.973 0.000 1.393) 3.283 4.554 ( -2.285 -0.000 4.881) 5.389 4.852 ( -1.059 -0.000 1.770) 2.063 4.911 ( 4.589 0.000 -3.367) 5.692 4.981 ( 0.281 0.000 5.893) 5.899 4.991 ( 3.794 0.000 3.105) 4.902 5.063 ( 4.456 0.000 -3.801) 5.857 5.397 ( 2.746 0.000 -4.917) 5.632 5.427 ( 0.578 0.000 3.757) 3.801 5.575 ( 0.925 0.000 -1.716) 1.950 5.653 ( 2.215 0.000 -0.059) 2.216 5.997 ( 0.304 0.000 -3.840) 3.852 6.249 ( -4.025 -0.000 -1.879) 4.442 6.278 ( -0.853 -0.000 4.927) 5.000 6.423 ( 3.287 0.000 3.304) 4.661 6.624 ( 3.389 0.000 -3.797) 5.089 6.708 ( -5.098 -0.000 0.335) 5.109 7.374 ( 1.482 0.000 0.526) 1.573 7.424 ( 6.112 0.000 0.756) 6.158 7.706 ( 0.455 0.000 -0.390) 0.600 7.708 ( 1.326 0.000 -0.185) 1.339 8.859 ( 0.962 0.000 3.302) 3.440 8.897 ( 1.208 0.000 -3.274) 3.489 9.064 ( 3.892 0.000 -0.467) 3.920 9.103 ( 5.778 0.000 1.686) 6.019 9.469 ( -2.041 -0.000 -2.204) 3.004 9.562 ( -2.343 -0.000 -0.326) 2.365 9.604 ( 4.307 0.000 -1.374) 4.521 9.680 ( 4.150 0.000 2.925) 5.077 9.757 ( 4.189 0.000 -0.561) 4.226 9.846 ( 7.132 0.000 0.801) 7.177 10.242 ( -5.182 -0.000 -1.605) 5.425 10.349 ( -2.154 -0.000 6.208) 6.571 10.369 ( 3.397 0.000 -0.928) 3.522 10.853 ( -5.665 -0.000 -5.949) 8.215 10.859 ( 1.400 0.000 -2.780) 3.113 10.968 ( -9.580 -0.000 -3.611) 10.238 11.459 ( -12.639 -0.000 -2.497) 12.883 11.476 ( -12.518 -0.000 7.942) 14.824 11.582 ( -13.661 -0.000 12.701) 18.653 11.795 ( -10.887 -0.000 -8.337) 13.713 13.140 ( 31.624 0.000 -0.181) 31.625 13.353 ( 23.636 0.000 -0.092) 23.636 15.770 ( -23.280 -0.000 -1.758) 23.347 16.325 ( -3.505 -0.000 -0.239) 3.513 16.524 ( 3.157 0.000 -0.340) 3.176 16.610 ( 2.215 0.000 -0.035) 2.215 ======================= Grid point 159 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -14.562 -1.146 10.521) 18.002 1.255 ( -19.648 -7.170 0.390) 20.919 1.685 ( -12.248 -1.099 -0.576) 12.310 1.992 ( -0.841 -0.899 -11.343) 11.409 2.027 ( -1.237 4.103 1.822) 4.657 2.190 ( -3.180 -8.310 -0.660) 8.922 2.324 ( -2.718 2.344 -0.962) 3.716 2.447 ( -24.773 -3.497 2.579) 25.151 2.504 ( -7.537 -3.463 0.378) 8.303 2.526 ( -18.329 -7.476 -0.456) 19.800 2.838 ( 5.435 0.556 2.850) 6.162 2.951 ( 12.348 0.689 -2.327) 12.584 3.144 ( 5.247 5.490 3.945) 8.557 3.200 ( -6.052 1.933 1.895) 6.630 3.294 ( -6.249 0.251 -1.279) 6.383 3.379 ( -7.022 -1.445 -4.573) 8.504 3.536 ( 5.437 0.206 -0.685) 5.484 3.670 ( 6.100 -0.868 0.167) 6.164 3.828 ( 1.543 0.651 1.967) 2.584 4.023 ( 5.329 2.082 0.680) 5.762 4.068 ( 9.183 1.908 -1.775) 9.546 4.173 ( 9.179 -2.171 -0.935) 9.479 4.288 ( -0.693 4.096 -2.107) 4.658 4.371 ( 4.868 0.995 0.894) 5.048 4.430 ( -0.085 1.833 -3.265) 3.745 4.591 ( 6.765 -0.533 2.353) 7.182 4.658 ( 5.075 -5.043 1.243) 7.262 4.812 ( -2.104 3.619 2.104) 4.685 4.945 ( 1.436 4.368 3.219) 5.613 5.011 ( 0.200 -0.811 2.297) 2.444 5.057 ( 7.764 2.807 -1.204) 8.343 5.160 ( 4.859 -2.299 -2.396) 5.885 5.422 ( 2.425 1.854 -3.504) 4.647 5.460 ( 1.667 -1.373 2.446) 3.263 5.571 ( 1.049 3.097 -2.104) 3.889 5.687 ( 0.450 -1.423 0.333) 1.529 5.999 ( 0.340 -0.731 -2.470) 2.598 6.166 ( -4.451 0.329 -0.106) 4.464 6.270 ( -2.223 -1.811 4.353) 5.213 6.474 ( -0.451 -0.627 2.138) 2.274 6.603 ( -3.876 0.616 -0.398) 3.945 6.673 ( 1.899 -1.026 -3.601) 4.198 7.452 ( 6.916 1.351 2.332) 7.423 7.575 ( 11.906 3.198 -1.354) 12.402 7.696 ( -0.404 1.227 -0.512) 1.389 7.721 ( 0.876 0.304 -0.033) 0.928 8.831 ( -1.088 3.946 0.051) 4.094 8.955 ( 0.040 -6.884 0.748) 6.924 9.144 ( 3.875 -0.778 -0.353) 3.968 9.209 ( 2.782 -0.298 0.616) 2.865 9.409 ( -3.039 0.534 1.406) 3.391 9.516 ( -2.215 -1.630 -1.338) 3.058 9.682 ( 5.202 2.267 -3.370) 6.600 9.747 ( 2.931 2.378 1.376) 4.018 9.822 ( 3.827 -1.690 0.552) 4.219 9.901 ( 0.455 1.749 -0.615) 1.909 10.253 ( 2.617 -4.622 0.728) 5.361 10.351 ( -1.605 -2.609 4.406) 5.366 10.430 ( 3.013 -2.522 -3.417) 5.208 10.677 ( -5.280 7.027 -3.148) 9.336 10.777 ( -12.240 -1.222 1.576) 12.401 10.834 ( -5.536 0.653 -2.524) 6.119 11.177 ( -6.257 5.555 0.286) 8.372 11.321 ( -12.755 3.107 3.118) 13.494 11.417 ( -13.765 -12.715 5.803) 19.617 11.590 ( -14.648 -6.223 -4.717) 16.600 13.674 ( 29.694 4.638 1.671) 30.101 13.763 ( 24.714 4.594 -1.544) 25.185 15.362 ( -21.044 -1.530 0.080) 21.100 16.182 ( -7.286 5.175 -5.884) 10.699 16.574 ( 2.146 -0.825 -0.322) 2.321 16.672 ( -0.191 -5.698 -0.320) 5.711 ======================= Grid point 168 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -21.469 -0.000 2.809) 21.652 0.952 ( -14.300 -0.000 21.765) 26.042 1.449 ( -12.219 -0.000 -3.830) 12.805 1.736 ( -41.448 -0.000 6.799) 42.002 1.760 ( -21.624 -0.000 -11.009) 24.265 2.025 ( -5.422 -0.000 0.339) 5.432 2.108 ( 3.041 0.000 -1.989) 3.634 2.188 ( -9.062 -0.000 -3.347) 9.660 2.405 ( 1.795 0.000 -0.841) 1.982 2.453 ( -1.458 -0.000 -0.842) 1.683 2.926 ( -14.697 -0.000 1.491) 14.772 2.939 ( 3.176 0.000 4.184) 5.252 3.073 ( -10.704 -0.000 -1.007) 10.752 3.238 ( 12.060 0.000 -3.346) 12.515 3.301 ( 5.424 0.000 4.206) 6.864 3.331 ( 3.123 0.000 -7.147) 7.799 3.772 ( 14.388 0.000 -1.538) 14.470 3.786 ( 6.380 0.000 2.549) 6.870 3.843 ( -0.335 -0.000 3.270) 3.287 4.136 ( 5.491 0.000 2.360) 5.977 4.201 ( 5.031 0.000 -3.785) 6.296 4.296 ( 4.172 0.000 -0.870) 4.262 4.302 ( 1.197 0.000 -2.818) 3.061 4.408 ( 0.131 0.000 0.773) 0.783 4.508 ( 7.982 0.000 -1.781) 8.178 4.704 ( 2.891 0.000 -5.853) 6.528 4.764 ( 9.547 0.000 2.364) 9.836 4.788 ( -2.607 -0.000 4.492) 5.194 4.978 ( -1.714 -0.000 5.908) 6.151 5.046 ( 2.697 0.000 1.244) 2.970 5.197 ( 7.382 0.000 -0.873) 7.433 5.238 ( 5.637 0.000 -1.962) 5.968 5.451 ( 1.110 0.000 -3.924) 4.077 5.489 ( 2.661 0.000 0.016) 2.661 5.612 ( 1.724 0.000 -1.666) 2.397 5.678 ( -0.866 -0.000 1.091) 1.392 5.999 ( 0.313 0.000 0.010) 0.313 6.099 ( -3.084 -0.000 2.710) 4.106 6.233 ( -1.760 -0.000 3.071) 3.540 6.416 ( -6.094 -0.000 -1.888) 6.380 6.563 ( -0.222 -0.000 5.985) 5.989 6.701 ( 2.669 0.000 -4.685) 5.392 7.592 ( 5.861 0.000 3.569) 6.862 7.709 ( 1.533 0.000 -1.107) 1.890 7.713 ( 1.537 0.000 -0.848) 1.756 7.867 ( 14.936 0.000 -3.153) 15.265 8.839 ( -4.319 -0.000 4.847) 6.492 8.883 ( -0.388 -0.000 -3.780) 3.800 9.178 ( -0.462 -0.000 0.606) 0.762 9.185 ( -4.300 -0.000 -1.853) 4.682 9.446 ( 2.618 0.000 5.400) 6.001 9.464 ( -0.083 -0.000 -2.505) 2.506 9.772 ( 4.399 0.000 -4.804) 6.514 9.821 ( 1.065 0.000 0.382) 1.132 9.834 ( 2.687 0.000 -0.872) 2.825 9.894 ( -0.454 -0.000 -0.968) 1.069 10.293 ( -7.709 -0.000 4.388) 8.870 10.313 ( 3.814 0.000 2.404) 4.508 10.400 ( -2.900 -0.000 -4.867) 5.666 10.432 ( -21.829 -0.000 2.245) 21.944 10.634 ( -15.423 -0.000 0.096) 15.424 10.679 ( -1.446 -0.000 -4.314) 4.550 11.125 ( -3.551 -0.000 -0.104) 3.552 11.145 ( -8.090 -0.000 2.519) 8.473 11.173 ( -5.589 -0.000 0.964) 5.672 11.310 ( -12.425 -0.000 -4.568) 13.238 14.182 ( 23.078 0.000 2.239) 23.186 14.207 ( 22.505 0.000 -2.605) 22.655 15.040 ( -13.011 -0.000 0.329) 13.015 15.958 ( -17.493 -0.000 -19.093) 25.895 16.599 ( 1.070 0.000 -0.546) 1.201 16.640 ( -0.335 -0.000 0.424) 0.540 ======================= Grid point 169 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -5.757 -0.000 -0.053) 5.757 0.763 ( 5.757 0.000 0.053) 5.757 0.818 ( -5.646 -0.000 -0.741) 5.695 0.818 ( 5.646 0.000 0.741) 5.695 1.622 ( 2.131 0.000 -34.187) 34.253 1.622 ( -2.131 -0.000 34.187) 34.253 1.992 ( -1.824 -0.000 -1.925) 2.652 1.992 ( 1.824 0.000 1.925) 2.652 2.418 ( -0.899 -0.000 0.110) 0.906 2.418 ( 0.899 0.000 -0.110) 0.906 2.690 ( -0.370 -0.000 -4.366) 4.382 2.690 ( 0.370 0.000 4.366) 4.382 3.302 ( 0.455 0.000 -3.743) 3.771 3.302 ( -0.455 -0.000 3.743) 3.771 3.459 ( 3.108 0.000 -3.454) 4.646 3.459 ( -3.108 -0.000 3.454) 4.646 3.990 ( -2.347 -0.000 -6.760) 7.155 3.990 ( 2.347 0.000 6.760) 7.155 4.041 ( 1.629 0.000 -4.390) 4.682 4.041 ( -1.629 -0.000 4.390) 4.682 4.324 ( 1.432 0.000 -1.205) 1.871 4.324 ( -1.432 -0.000 1.205) 1.871 4.421 ( 3.049 0.000 -1.366) 3.342 4.421 ( -3.049 -0.000 1.366) 3.342 4.634 ( -6.518 -0.000 -6.627) 9.295 4.634 ( 6.518 0.000 6.627) 9.295 4.714 ( 2.365 0.000 -1.028) 2.579 4.714 ( -2.365 -0.000 1.028) 2.579 5.108 ( 1.853 0.000 -6.789) 7.037 5.108 ( -1.853 -0.000 6.789) 7.037 5.425 ( -0.758 -0.000 -1.143) 1.371 5.425 ( 0.758 0.000 1.143) 1.371 5.498 ( -4.695 -0.000 -4.674) 6.625 5.498 ( 4.695 0.000 4.674) 6.625 5.595 ( -0.798 -0.000 -1.243) 1.477 5.595 ( 0.798 0.000 1.243) 1.477 6.126 ( -3.238 -0.000 -4.492) 5.537 6.126 ( 3.238 0.000 4.492) 5.537 6.277 ( -0.621 -0.000 -0.801) 1.013 6.277 ( 0.621 0.000 0.801) 1.013 6.995 ( 7.246 0.000 -18.258) 19.644 6.995 ( -7.246 -0.000 18.258) 19.644 7.627 ( 0.434 0.000 -1.052) 1.138 7.627 ( -0.434 -0.000 1.052) 1.138 7.731 ( -1.374 -0.000 -0.854) 1.618 7.731 ( 1.374 0.000 0.854) 1.618 8.757 ( 3.393 0.000 -7.368) 8.112 8.757 ( -3.393 -0.000 7.368) 8.112 9.091 ( -1.059 -0.000 -0.435) 1.145 9.091 ( 1.059 0.000 0.435) 1.145 9.421 ( -5.344 -0.000 1.417) 5.529 9.421 ( 5.344 0.000 -1.417) 5.529 9.581 ( 4.700 0.000 -2.005) 5.110 9.581 ( -4.700 -0.000 2.005) 5.110 9.841 ( 1.420 0.000 -1.727) 2.236 9.841 ( -1.420 -0.000 1.727) 2.236 9.993 ( 7.110 0.000 -2.457) 7.523 9.993 ( -7.110 -0.000 2.457) 7.523 10.210 ( -0.301 -0.000 -2.929) 2.944 10.210 ( 0.301 0.000 2.929) 2.944 10.386 ( 1.359 0.000 -1.320) 1.895 10.386 ( -1.359 -0.000 1.320) 1.895 11.052 ( -1.518 -0.000 0.338) 1.555 11.052 ( 1.518 0.000 -0.338) 1.555 11.112 ( 0.539 0.000 -0.358) 0.647 11.112 ( -0.539 -0.000 0.358) 0.647 14.621 ( 4.150 0.000 -1.737) 4.499 14.621 ( -4.150 -0.000 1.737) 4.499 14.832 ( 3.604 0.000 -2.184) 4.214 14.832 ( -3.604 -0.000 2.184) 4.214 16.620 ( -0.748 -0.000 0.013) 0.749 16.620 ( 0.748 0.000 -0.013) 0.749 ======================= Grid point 171 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 7.386 -14.725 -12.617) 20.750 0.967 ( 14.624 -1.049 12.248) 19.104 1.165 ( 22.012 -14.638 4.769) 26.861 1.204 ( 24.734 -10.144 -3.685) 26.986 1.607 ( 7.396 -3.996 -28.727) 29.932 1.732 ( 3.797 -4.483 26.895) 27.529 1.996 ( 0.939 -1.563 -0.706) 1.956 2.118 ( 5.589 -9.618 0.754) 11.149 2.403 ( 0.035 1.442 -0.813) 1.656 2.426 ( 0.403 1.147 -0.422) 1.287 2.745 ( 7.131 0.557 -0.734) 7.190 2.811 ( 9.486 -5.173 2.047) 10.997 3.205 ( -5.546 3.537 -5.943) 8.865 3.227 ( -5.590 3.305 6.214) 8.988 3.349 ( -8.555 2.284 2.917) 9.323 3.435 ( -2.380 3.506 -3.274) 5.355 3.883 ( -7.016 6.463 -1.398) 9.641 3.953 ( -5.958 -0.237 -0.248) 5.968 3.997 ( -3.993 -0.034 -2.100) 4.511 4.047 ( 2.654 2.388 6.034) 7.011 4.295 ( -1.990 -0.392 -0.966) 2.247 4.327 ( 1.895 4.571 -3.688) 6.172 4.385 ( -2.431 -0.454 2.741) 3.692 4.409 ( -7.262 0.536 -6.918) 10.044 4.535 ( 0.327 1.226 4.601) 4.773 4.661 ( -4.425 -3.189 -0.527) 5.480 4.762 ( 1.553 -0.372 5.689) 5.909 4.782 ( 3.951 0.531 0.133) 3.989 5.049 ( -2.692 5.201 2.214) 6.261 5.092 ( 0.228 2.629 -3.686) 4.534 5.334 ( -4.501 2.537 0.553) 5.196 5.367 ( -6.245 0.036 -2.146) 6.604 5.430 ( -2.478 0.498 -2.718) 3.712 5.547 ( -1.786 -2.888 0.434) 3.423 5.580 ( -0.977 1.950 0.722) 2.297 5.622 ( 2.665 0.393 1.968) 3.336 6.056 ( -1.968 2.468 -2.469) 4.007 6.186 ( 1.780 5.018 0.096) 5.325 6.225 ( 0.328 -1.037 3.001) 3.192 6.279 ( -0.158 -2.528 -1.953) 3.198 6.729 ( -10.279 1.306 3.661) 10.989 6.827 ( -6.000 2.973 -9.072) 11.276 7.637 ( 0.687 4.662 2.025) 5.129 7.696 ( 0.233 4.691 -1.458) 4.918 7.794 ( -1.994 -4.152 3.315) 5.675 7.865 ( -0.926 -2.304 0.778) 2.602 8.779 ( 0.399 -2.467 2.526) 3.553 8.860 ( 5.726 -2.862 -1.314) 6.535 9.099 ( 1.688 0.255 0.628) 1.819 9.152 ( 4.034 -1.580 -0.656) 4.382 9.394 ( 0.375 3.549 -0.425) 3.594 9.552 ( -1.145 -0.756 0.370) 1.421 9.777 ( -1.093 -3.962 -0.079) 4.111 9.803 ( 4.109 -10.858 3.608) 12.158 9.853 ( 1.826 -3.961 -1.706) 4.684 9.892 ( -1.047 -3.761 2.862) 4.841 10.059 ( 31.006 -6.588 -7.916) 32.672 10.175 ( 6.985 1.684 3.065) 7.812 10.249 ( 15.487 -3.353 2.213) 16.000 10.301 ( 4.222 -6.541 1.998) 8.038 10.397 ( 2.770 -0.297 0.681) 2.867 10.485 ( 7.198 -3.661 -2.284) 8.392 11.042 ( -0.798 -1.473 1.017) 1.960 11.073 ( 0.815 0.508 -0.347) 1.021 11.145 ( 4.504 -2.090 -0.212) 4.970 11.161 ( 4.796 -2.591 -0.383) 5.464 14.441 ( -13.760 6.131 2.213) 15.226 14.514 ( -11.645 7.626 -2.496) 14.142 14.953 ( 10.452 -9.014 -5.259) 14.770 15.093 ( 19.799 -7.994 8.878) 23.124 16.613 ( -0.524 -0.760 0.017) 0.923 16.639 ( 0.854 -0.952 -0.033) 1.279 ======================= Grid point 172 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 12.017 -15.256 -8.223) 21.089 1.311 ( 16.239 -3.838 8.907) 18.915 1.465 ( 7.174 -2.253 -22.217) 23.455 1.576 ( 5.766 -5.981 20.468) 22.090 1.936 ( 10.594 -3.933 0.332) 11.305 2.087 ( 19.895 -11.510 -5.701) 23.681 2.153 ( 18.130 -13.855 6.032) 23.602 2.319 ( 2.572 -10.868 -1.615) 11.284 2.397 ( 2.763 0.631 -1.931) 3.430 2.433 ( 3.287 -2.505 1.323) 4.339 2.909 ( 11.145 1.955 0.668) 11.335 3.045 ( -5.288 2.351 -4.890) 7.577 3.091 ( 7.978 -3.807 0.672) 8.866 3.105 ( -6.053 4.179 4.783) 8.774 3.183 ( -2.597 1.273 2.995) 4.164 3.317 ( -3.353 4.864 -2.609) 6.458 3.630 ( -10.916 7.415 1.155) 13.246 3.830 ( -8.359 -0.179 0.408) 8.371 3.941 ( -2.292 -1.084 -3.464) 4.293 4.058 ( -0.040 4.111 4.433) 6.046 4.184 ( -9.013 4.931 -4.646) 11.275 4.242 ( -4.745 -0.593 -0.476) 4.806 4.280 ( -2.342 4.218 -1.653) 5.100 4.356 ( -0.889 3.049 1.367) 3.457 4.537 ( -4.193 2.029 -1.039) 4.773 4.571 ( -3.081 -0.521 4.257) 5.281 4.759 ( -3.377 -0.592 1.647) 3.804 4.815 ( 0.696 1.820 3.709) 4.189 4.966 ( -1.083 2.189 -1.876) 3.080 5.050 ( 0.763 4.879 -4.583) 6.737 5.213 ( -10.087 0.343 -0.812) 10.125 5.265 ( -3.119 0.271 0.405) 3.157 5.377 ( -1.699 1.091 -0.079) 2.021 5.500 ( -1.329 5.560 0.315) 5.725 5.562 ( -2.872 -4.767 -0.969) 5.649 5.655 ( 1.137 0.903 2.755) 3.114 6.008 ( -0.137 1.560 -1.790) 2.379 6.161 ( 2.369 2.422 -3.471) 4.850 6.300 ( 1.923 -2.829 0.781) 3.509 6.328 ( 4.979 1.117 2.707) 5.776 6.644 ( -4.308 -2.459 3.713) 6.196 6.739 ( -1.496 -2.234 -6.494) 7.028 7.596 ( -4.477 4.358 3.526) 7.174 7.598 ( -3.676 4.732 -0.527) 6.015 7.701 ( -5.761 2.721 0.870) 6.430 7.760 ( -5.147 2.337 -0.819) 5.711 8.801 ( -0.486 -1.525 -0.740) 1.763 8.974 ( 4.565 -1.613 2.126) 5.288 9.138 ( 3.000 1.249 0.737) 3.333 9.199 ( -1.014 -1.134 -0.132) 1.527 9.399 ( 4.183 0.626 -2.470) 4.898 9.541 ( -0.770 0.168 -0.579) 0.978 9.721 ( -5.975 -0.525 0.806) 6.052 9.759 ( -2.706 1.469 1.468) 3.411 9.864 ( 1.316 2.484 -1.461) 3.168 9.944 ( -5.242 -0.569 -0.206) 5.276 10.230 ( 2.116 -5.347 1.284) 5.892 10.371 ( 4.373 0.524 -0.663) 4.454 10.517 ( 2.778 -5.590 -0.296) 6.249 10.577 ( 10.042 -1.560 -1.356) 10.253 10.596 ( 10.061 -6.536 2.905) 12.344 10.673 ( 7.109 -6.171 -0.071) 9.414 11.045 ( 0.112 -0.192 2.471) 2.481 11.143 ( 9.197 -0.807 -2.987) 9.703 11.331 ( 11.988 -3.894 1.124) 12.655 11.379 ( 14.141 -9.793 -1.376) 17.256 14.048 ( -20.558 10.675 2.031) 23.253 14.099 ( -21.546 12.404 -1.885) 24.932 15.261 ( 14.161 -11.571 -12.437) 22.115 15.581 ( 18.729 -4.542 18.185) 26.497 16.618 ( -0.263 -1.752 -0.664) 1.892 16.673 ( 1.104 -2.413 0.878) 2.795 ======================= Grid point 173 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 12.052 -9.162 -5.197) 16.006 1.550 ( 5.686 -7.045 -14.758) 17.314 1.632 ( 11.694 -3.175 5.592) 13.346 1.738 ( 3.375 -2.211 15.024) 15.556 1.976 ( -0.747 1.739 1.530) 2.433 2.312 ( 0.249 0.167 -1.697) 1.723 2.366 ( 0.904 -3.014 -2.554) 4.052 2.492 ( 5.737 -7.622 2.642) 9.899 2.741 ( 15.507 -11.618 -0.888) 19.396 2.769 ( 16.131 -11.850 -1.746) 20.092 2.857 ( -9.034 3.605 0.808) 9.761 2.881 ( -4.459 1.817 -1.254) 4.976 3.047 ( 1.719 6.359 -0.426) 6.601 3.146 ( 6.457 2.038 1.651) 6.969 3.241 ( -3.962 4.104 0.872) 5.771 3.294 ( 6.075 0.297 -1.417) 6.245 3.574 ( 9.404 -5.180 0.540) 10.750 3.694 ( -6.991 -1.847 2.613) 7.689 3.869 ( -5.760 2.021 -1.655) 6.325 3.951 ( -7.681 1.965 -3.250) 8.569 4.030 ( 0.230 5.855 2.383) 6.325 4.134 ( -7.341 -1.747 0.161) 7.547 4.222 ( 1.342 6.604 0.822) 6.789 4.282 ( -4.778 -0.458 0.124) 4.802 4.420 ( -3.342 1.578 -1.459) 3.973 4.586 ( 1.612 1.527 3.559) 4.195 4.649 ( -8.561 1.576 -0.628) 8.728 4.808 ( -1.060 0.225 3.473) 3.638 4.936 ( -3.529 6.355 -5.443) 9.081 4.983 ( -0.050 -0.262 0.745) 0.792 5.046 ( -6.102 0.594 -1.513) 6.315 5.185 ( -4.348 1.761 -0.829) 4.764 5.337 ( -1.817 1.376 -0.304) 2.300 5.446 ( 1.266 3.747 0.864) 4.048 5.545 ( -2.956 -2.509 -1.037) 4.013 5.670 ( 0.184 -0.031 2.727) 2.733 6.002 ( 0.741 0.380 -1.189) 1.452 6.183 ( 2.977 1.461 -3.357) 4.719 6.353 ( 0.969 -2.207 1.329) 2.752 6.418 ( 5.810 2.585 2.315) 6.768 6.597 ( -4.355 -1.876 1.381) 4.939 6.763 ( 0.614 -5.203 -2.719) 5.902 7.389 ( -8.251 6.432 1.763) 10.609 7.466 ( -8.009 2.817 0.035) 8.490 7.651 ( 1.786 2.212 2.247) 3.624 7.715 ( 0.749 0.083 -2.092) 2.224 8.796 ( -0.880 -0.851 -1.440) 1.890 9.070 ( 3.521 -1.633 2.863) 4.823 9.138 ( -1.747 0.635 -0.791) 2.021 9.216 ( 1.839 -1.769 1.761) 3.100 9.476 ( 4.310 0.555 -5.182) 6.763 9.513 ( -1.689 -0.855 2.068) 2.803 9.623 ( -4.590 1.240 0.005) 4.754 9.715 ( -0.386 2.891 0.498) 2.959 9.802 ( -6.397 3.200 -0.222) 7.156 9.835 ( -1.339 3.760 -0.349) 4.006 10.299 ( -0.547 -4.786 2.109) 5.259 10.466 ( 4.221 -2.902 -2.357) 5.639 10.564 ( 3.395 2.955 -3.239) 5.545 10.599 ( -1.191 2.532 -2.680) 3.875 10.742 ( -4.899 -8.203 2.641) 9.913 10.793 ( 3.869 -0.960 0.835) 4.072 11.115 ( 4.254 -4.205 5.589) 8.186 11.317 ( 8.200 0.094 -2.811) 8.669 11.646 ( 16.875 -7.110 1.837) 18.404 11.798 ( 19.801 -11.406 -1.942) 22.933 13.532 ( -25.666 13.190 -1.758) 28.911 13.544 ( -22.649 12.937 1.776) 26.144 15.582 ( 13.164 -9.164 -10.660) 19.259 15.884 ( 8.631 1.386 12.413) 15.183 16.628 ( -0.623 -2.159 -1.729) 2.836 16.739 ( 2.114 -3.481 2.609) 4.837 ======================= Grid point 174 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 4.583 -5.991 -10.921) 13.273 1.734 ( 0.336 3.478 9.365) 9.996 1.794 ( 6.257 -5.906 -0.232) 8.607 1.859 ( 3.338 -0.283 1.661) 3.739 1.944 ( -0.921 0.374 0.751) 1.246 2.318 ( 1.005 0.011 -0.807) 1.289 2.404 ( 1.286 -1.229 -0.075) 1.780 2.633 ( 1.313 -4.768 1.016) 5.049 2.680 ( -5.527 2.295 -0.855) 6.045 2.685 ( -3.889 1.823 0.411) 4.314 2.876 ( -0.761 2.400 -0.002) 2.518 2.991 ( -3.564 4.082 1.140) 5.538 3.044 ( 1.433 -2.087 -1.053) 2.742 3.281 ( 7.311 -2.211 -0.818) 7.682 3.310 ( 7.733 -6.089 -0.196) 9.844 3.478 ( 11.520 3.544 -2.408) 12.291 3.579 ( -6.757 -3.735 2.773) 8.204 3.725 ( -4.796 1.883 0.013) 5.152 3.821 ( 2.729 -0.578 0.927) 2.940 3.866 ( 4.361 -2.716 -4.531) 6.850 4.022 ( 2.001 5.802 5.650) 8.343 4.071 ( -4.254 -7.908 -1.655) 9.131 4.129 ( -4.639 4.265 0.366) 6.312 4.266 ( 0.646 -0.800 0.496) 1.142 4.379 ( 0.002 0.976 -0.242) 1.006 4.471 ( -5.711 2.882 -0.771) 6.444 4.598 ( -0.143 0.766 0.981) 1.253 4.763 ( -4.499 2.854 -1.088) 5.438 4.803 ( -0.729 0.204 1.807) 1.960 4.937 ( -2.852 2.980 -0.992) 4.242 5.027 ( 1.067 -2.675 -0.999) 3.048 5.105 ( -1.798 2.026 -0.357) 2.733 5.295 ( -1.016 0.746 -0.383) 1.317 5.464 ( 2.792 1.160 0.055) 3.023 5.507 ( -3.012 -0.954 -0.099) 3.161 5.678 ( -0.026 -0.137 1.123) 1.132 6.010 ( 0.387 -0.014 -0.385) 0.546 6.204 ( 1.278 0.619 -1.487) 2.056 6.385 ( 0.316 -0.863 1.084) 1.421 6.488 ( 4.460 2.524 0.857) 5.195 6.544 ( -3.986 -2.008 -0.096) 4.465 6.819 ( 0.619 -2.950 -0.537) 3.061 7.234 ( -3.278 3.118 0.570) 4.560 7.333 ( -3.615 1.261 -0.099) 3.830 7.676 ( 1.289 0.796 1.718) 2.290 7.738 ( 1.215 -0.616 -1.521) 2.042 8.786 ( -0.410 -0.283 -0.632) 0.805 9.100 ( -1.462 -0.831 -0.390) 1.726 9.147 ( 2.114 -0.353 1.649) 2.705 9.270 ( 1.077 -1.881 0.533) 2.232 9.461 ( -1.236 0.611 -0.667) 1.532 9.515 ( -1.413 1.684 -0.346) 2.225 9.586 ( 2.067 0.046 -0.885) 2.249 9.667 ( -1.033 1.909 0.969) 2.378 9.701 ( -2.460 1.057 -0.194) 2.685 9.775 ( -1.349 1.843 -0.405) 2.320 10.332 ( -0.667 -2.586 1.606) 3.116 10.514 ( -0.859 -2.142 -0.818) 2.448 10.539 ( -0.506 2.438 -1.416) 2.865 10.609 ( 5.506 3.408 -3.924) 7.571 10.721 ( -4.359 -4.143 2.514) 6.518 10.819 ( 0.171 0.470 0.290) 0.578 11.242 ( 1.964 -3.620 3.059) 5.130 11.393 ( 2.508 1.284 -1.572) 3.227 12.045 ( 14.712 -8.174 1.551) 16.901 12.258 ( 18.478 -8.679 -0.959) 20.437 12.964 ( -21.657 8.858 -2.209) 23.502 13.058 ( -15.671 10.625 1.812) 19.020 15.819 ( 7.097 -4.880 -5.358) 10.144 15.959 ( 0.496 2.954 5.393) 6.169 16.630 ( -0.463 -1.080 -0.896) 1.477 16.808 ( 1.205 -1.630 1.458) 2.497 ======================= Grid point 180 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 16.266 0.000 -9.772) 18.976 1.288 ( 15.761 0.000 10.534) 18.958 1.447 ( 7.492 0.000 -24.233) 25.365 1.476 ( 14.553 0.000 17.184) 22.519 1.896 ( 31.604 0.000 -7.645) 32.516 1.956 ( 19.294 0.000 12.237) 22.848 2.047 ( 4.621 0.000 -1.630) 4.900 2.148 ( 5.003 0.000 0.328) 5.014 2.415 ( 1.059 0.000 -2.038) 2.296 2.429 ( -0.444 -0.000 1.128) 1.212 2.961 ( 12.831 0.000 -1.815) 12.959 2.976 ( 10.738 0.000 3.067) 11.167 3.094 ( -4.880 -0.000 -5.422) 7.295 3.152 ( -6.246 -0.000 6.411) 8.951 3.207 ( -6.660 -0.000 2.923) 7.273 3.377 ( -4.491 -0.000 -3.106) 5.460 3.729 ( -14.016 -0.000 2.640) 14.262 3.808 ( -9.481 -0.000 -0.682) 9.505 3.926 ( -1.868 -0.000 -3.615) 4.069 4.115 ( 0.683 0.000 4.959) 5.006 4.203 ( -7.251 -0.000 -3.311) 7.971 4.275 ( -5.532 -0.000 -1.981) 5.876 4.319 ( -4.756 -0.000 -1.615) 5.023 4.386 ( 0.337 0.000 0.150) 0.369 4.533 ( -6.212 -0.000 -2.565) 6.720 4.576 ( -0.097 -0.000 6.063) 6.064 4.749 ( -3.409 -0.000 2.282) 4.102 4.856 ( 3.038 0.000 0.324) 3.056 5.033 ( -4.675 -0.000 -0.944) 4.769 5.048 ( -3.275 -0.000 2.578) 4.168 5.244 ( -5.657 -0.000 -4.170) 7.028 5.270 ( -3.332 -0.000 -5.562) 6.484 5.384 ( -2.615 -0.000 1.573) 3.052 5.477 ( -2.532 -0.000 1.413) 2.899 5.575 ( -1.614 -0.000 1.280) 2.060 5.660 ( 0.092 0.000 2.391) 2.393 6.025 ( -1.900 -0.000 -1.957) 2.728 6.214 ( 2.148 0.000 -7.675) 7.970 6.245 ( 1.531 0.000 1.778) 2.347 6.341 ( 6.729 0.000 5.305) 8.569 6.613 ( -4.372 -0.000 4.303) 6.134 6.718 ( -3.770 -0.000 -7.926) 8.777 7.655 ( -4.797 -0.000 4.768) 6.764 7.667 ( -5.811 -0.000 -3.634) 6.854 7.709 ( -3.239 -0.000 -0.814) 3.340 7.789 ( -6.251 -0.000 3.021) 6.943 8.799 ( 0.806 0.000 4.258) 4.334 8.924 ( 3.702 0.000 -3.178) 4.879 9.156 ( 3.324 0.000 0.927) 3.451 9.188 ( -0.146 -0.000 -0.486) 0.508 9.424 ( 1.493 0.000 1.624) 2.206 9.558 ( -2.650 -0.000 -4.519) 5.239 9.703 ( -4.520 -0.000 1.328) 4.711 9.823 ( 3.202 0.000 -0.666) 3.270 9.824 ( -0.551 -0.000 -0.064) 0.555 9.873 ( 0.913 0.000 0.843) 1.243 10.273 ( 1.142 0.000 4.500) 4.643 10.279 ( 4.669 0.000 3.703) 5.959 10.384 ( -0.473 -0.000 -0.963) 1.072 10.539 ( 15.235 0.000 -6.837) 16.699 10.599 ( 12.736 0.000 2.367) 12.954 10.654 ( 14.599 0.000 -0.937) 14.629 11.072 ( 4.119 0.000 1.442) 4.364 11.128 ( 5.032 0.000 4.143) 6.518 11.268 ( 14.567 0.000 -6.159) 15.815 11.277 ( 9.766 0.000 -0.071) 9.766 14.157 ( -21.730 -0.000 1.981) 21.820 14.228 ( -23.298 -0.000 -2.126) 23.395 15.138 ( 17.383 0.000 -10.594) 20.357 15.534 ( 24.991 0.000 18.723) 31.227 16.596 ( -0.872 -0.000 -0.270) 0.913 16.642 ( 0.002 0.000 0.260) 0.260 ======================= Grid point 181 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 16.902 -7.158 -5.129) 19.058 1.492 ( 6.188 -0.953 -18.475) 19.507 1.599 ( 15.204 -0.317 6.843) 16.676 1.700 ( 5.970 -1.423 16.559) 17.660 2.047 ( 2.046 5.193 0.561) 5.610 2.212 ( 0.909 -7.909 -2.675) 8.399 2.342 ( 7.531 0.734 -2.741) 8.048 2.426 ( 4.537 -0.729 3.395) 5.714 2.493 ( 18.291 -8.165 2.583) 20.196 2.571 ( 22.711 -5.649 -4.434) 23.819 2.909 ( -11.024 1.258 1.423) 11.187 2.923 ( -7.460 1.192 -4.547) 8.817 3.152 ( 0.961 2.934 4.722) 5.642 3.182 ( 3.066 1.108 3.423) 4.727 3.305 ( 0.305 1.346 -2.782) 3.106 3.315 ( 12.189 1.053 -0.290) 12.237 3.518 ( -1.830 -0.124 1.300) 2.249 3.639 ( -10.580 -2.711 2.247) 11.150 3.881 ( -3.088 0.084 -2.313) 3.859 4.040 ( -6.887 4.920 -2.047) 8.708 4.071 ( -6.217 -0.394 -1.143) 6.333 4.163 ( -8.425 1.681 0.911) 8.639 4.219 ( -4.213 -2.101 3.048) 5.609 4.347 ( -1.850 2.280 1.630) 3.358 4.463 ( -0.895 1.957 -4.653) 5.126 4.569 ( -2.401 -0.810 3.069) 3.980 4.684 ( -3.217 0.093 -1.091) 3.398 4.869 ( 0.387 3.978 1.084) 4.141 4.943 ( -2.501 0.084 0.623) 2.579 5.009 ( -6.418 -3.167 2.094) 7.457 5.108 ( -2.711 6.177 -5.575) 8.751 5.208 ( -2.529 0.120 -5.482) 6.038 5.347 ( -2.735 -0.946 2.599) 3.889 5.469 ( -1.756 -3.137 1.953) 4.091 5.532 ( -1.173 3.756 1.140) 4.097 5.656 ( -1.432 -1.267 2.436) 3.097 5.999 ( -0.540 -0.352 -1.949) 2.053 6.230 ( 3.468 2.485 -5.401) 6.883 6.303 ( 1.957 -2.314 0.772) 3.127 6.466 ( 5.870 1.658 3.580) 7.072 6.571 ( -3.257 -0.483 3.237) 4.617 6.665 ( -1.174 -3.438 -3.836) 5.283 7.492 ( -8.722 2.602 -1.003) 9.157 7.522 ( -8.631 2.096 2.982) 9.369 7.689 ( 0.593 1.154 -0.043) 1.298 7.725 ( -1.186 0.616 -0.277) 1.364 8.806 ( 0.150 1.874 1.846) 2.635 8.978 ( 0.150 -4.977 -0.967) 5.072 9.140 ( -4.090 -0.189 0.147) 4.097 9.195 ( 0.022 -0.636 1.323) 1.468 9.479 ( -1.358 -0.848 -4.469) 4.747 9.492 ( 2.828 -0.495 1.110) 3.078 9.633 ( -3.700 0.342 1.143) 3.887 9.778 ( 0.048 3.855 -1.890) 4.294 9.837 ( -5.522 -0.885 -0.731) 5.640 9.885 ( -0.318 0.705 0.939) 1.217 10.247 ( -0.651 0.695 1.414) 1.705 10.393 ( 1.183 -2.417 0.491) 2.735 10.434 ( 2.483 -7.975 -2.559) 8.736 10.662 ( 3.416 3.421 -1.764) 5.146 10.750 ( 7.678 -0.810 -1.148) 7.806 10.815 ( 4.703 2.107 3.113) 6.020 11.134 ( 6.379 6.687 3.306) 9.815 11.316 ( 10.543 -2.269 3.561) 11.357 11.501 ( 12.631 -5.343 0.369) 13.720 11.595 ( 18.487 -6.591 -6.211) 20.586 13.719 ( -29.293 4.760 -2.215) 29.760 13.723 ( -24.720 4.408 1.999) 25.189 15.466 ( 20.343 -2.540 -10.707) 23.128 15.947 ( 15.759 3.087 15.156) 22.082 16.580 ( -1.816 -1.627 -0.923) 2.607 16.652 ( -0.552 -3.641 1.357) 3.925 ======================= Grid point 182 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 6.751 -2.394 -11.668) 13.691 1.653 ( 13.422 -6.333 -1.799) 14.950 1.818 ( 5.128 3.119 9.427) 11.175 1.857 ( 9.145 0.153 4.483) 10.186 1.997 ( -1.541 4.916 -0.134) 5.154 2.263 ( -1.565 -5.319 -0.260) 5.551 2.398 ( 3.916 0.426 -3.748) 5.438 2.510 ( 2.417 -4.552 2.814) 5.872 2.715 ( -7.971 1.140 -0.242) 8.055 2.740 ( -6.644 2.117 -1.550) 7.143 2.817 ( 3.793 -7.517 1.532) 8.558 2.988 ( 8.855 -3.737 -1.716) 9.763 3.101 ( -9.620 4.959 0.397) 10.830 3.150 ( 4.870 -2.755 -1.707) 5.850 3.286 ( 7.473 -0.303 0.709) 7.513 3.492 ( -5.118 -2.994 5.885) 8.354 3.548 ( 7.817 2.055 -1.169) 8.167 3.720 ( 5.122 -2.987 1.504) 6.117 3.791 ( 0.940 0.277 -0.599) 1.149 3.887 ( -2.162 3.504 -3.575) 5.453 3.935 ( -10.459 -4.148 -0.953) 11.292 4.086 ( 0.431 -1.864 2.201) 2.916 4.162 ( -4.835 1.636 3.755) 6.337 4.335 ( 3.009 4.682 -0.144) 5.568 4.410 ( -0.441 2.114 -2.239) 3.111 4.515 ( -2.460 0.816 -1.339) 2.917 4.648 ( -0.068 2.040 1.238) 2.387 4.829 ( 0.369 3.196 -0.535) 3.261 4.854 ( -8.139 5.016 -0.016) 9.560 4.943 ( -1.115 -4.222 0.227) 4.373 5.028 ( -1.176 4.584 -1.997) 5.136 5.139 ( -2.144 0.943 -4.091) 4.714 5.317 ( -1.713 0.092 0.681) 1.845 5.468 ( -2.621 -1.976 2.690) 4.244 5.490 ( 0.261 1.988 0.996) 2.239 5.656 ( -1.251 -2.072 1.750) 2.987 5.996 ( -0.152 -0.994 -1.719) 1.991 6.241 ( 1.792 2.495 -3.516) 4.669 6.354 ( 1.096 -1.778 1.205) 2.412 6.506 ( -4.437 -1.324 -0.902) 4.717 6.530 ( 2.514 1.410 2.001) 3.509 6.727 ( 2.557 -4.537 0.756) 5.262 7.335 ( -4.215 4.892 0.674) 6.493 7.382 ( -3.752 3.042 -0.126) 4.833 7.694 ( -0.506 0.900 0.819) 1.318 7.716 ( 0.615 -1.315 -0.651) 1.591 8.791 ( -0.090 1.283 0.709) 1.469 9.015 ( -2.441 -6.219 0.218) 6.685 9.088 ( -3.143 -3.167 0.325) 4.474 9.195 ( -2.404 -5.041 -0.228) 5.589 9.463 ( -0.362 -0.573 -0.803) 1.051 9.551 ( 0.969 1.251 -0.223) 1.598 9.586 ( 0.409 -0.026 -1.002) 1.083 9.707 ( -6.037 1.086 0.018) 6.134 9.730 ( -2.455 2.227 -0.490) 3.351 9.824 ( -4.343 2.242 0.649) 4.930 10.277 ( 1.836 -3.327 1.992) 4.291 10.413 ( -1.464 -2.798 -3.340) 4.596 10.526 ( 1.602 -4.372 -3.712) 5.955 10.640 ( 2.176 6.900 -1.793) 7.454 10.824 ( 1.715 3.789 0.253) 4.166 10.903 ( 6.738 1.837 3.635) 7.874 11.205 ( 7.111 5.605 4.426) 10.078 11.470 ( 6.856 4.520 0.995) 8.272 11.829 ( 13.305 -11.508 1.575) 17.662 12.017 ( 19.232 -13.410 -3.872) 23.764 13.114 ( -30.480 5.695 -3.321) 31.185 13.253 ( -21.508 6.980 2.623) 22.763 15.787 ( 16.307 1.133 -6.030) 17.423 16.100 ( 5.763 9.461 6.889) 13.046 16.565 ( -2.301 -4.162 -1.479) 4.980 16.715 ( 0.143 -7.014 2.533) 7.459 ======================= Grid point 183 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 5.496 -1.660 -8.274) 10.071 1.808 ( -2.609 8.225 8.470) 12.091 1.861 ( 3.830 -0.696 -0.067) 3.893 1.909 ( -0.958 4.956 -1.136) 5.174 1.966 ( 2.678 2.667 -0.141) 3.782 2.275 ( -2.261 -3.798 1.139) 4.565 2.433 ( 0.732 1.111 -2.328) 2.681 2.595 ( 1.993 -4.804 -1.464) 5.403 2.637 ( 0.046 -1.300 -0.518) 1.401 2.674 ( 1.108 -2.149 2.853) 3.740 2.875 ( -0.949 0.906 -0.517) 1.410 2.935 ( -3.436 -0.777 -0.406) 3.546 3.034 ( -0.207 -2.240 -1.782) 2.869 3.275 ( -3.289 -2.118 0.151) 3.915 3.384 ( -0.421 -2.425 1.280) 2.774 3.418 ( -4.840 0.471 4.262) 6.466 3.553 ( -3.298 -5.849 1.482) 6.876 3.752 ( 3.957 4.998 -0.035) 6.375 3.789 ( -6.750 -4.406 0.475) 8.075 3.882 ( -1.398 -1.310 -4.118) 4.542 3.958 ( 6.066 0.690 -1.712) 6.340 4.081 ( -0.447 2.202 0.793) 2.383 4.163 ( 2.499 -3.745 3.180) 5.512 4.304 ( 0.013 2.877 2.799) 4.014 4.389 ( 2.449 5.075 -3.156) 6.459 4.548 ( 7.061 6.433 -1.332) 9.644 4.609 ( -1.424 3.115 1.310) 3.667 4.715 ( -1.272 -1.152 0.359) 1.753 4.822 ( 1.617 1.447 -2.987) 3.692 4.924 ( -1.513 0.258 0.292) 1.562 5.010 ( 1.584 -1.582 -1.284) 2.581 5.102 ( -0.443 0.388 -1.053) 1.206 5.300 ( 0.324 0.704 0.355) 0.853 5.434 ( -3.855 -1.513 2.920) 5.067 5.503 ( 1.137 -0.755 0.995) 1.689 5.661 ( -0.925 -1.943 0.123) 2.156 5.996 ( -0.707 -1.033 -1.169) 1.713 6.220 ( -0.714 1.880 -1.036) 2.262 6.380 ( -0.411 -1.324 -0.811) 1.606 6.438 ( -4.522 -2.018 0.343) 4.964 6.573 ( 2.983 0.343 0.149) 3.006 6.811 ( 1.917 -2.686 0.362) 3.320 7.258 ( 1.033 4.768 1.132) 5.009 7.344 ( 2.958 2.329 -0.807) 3.851 7.661 ( -2.784 -0.785 -1.740) 3.375 7.734 ( -1.031 -1.165 1.756) 2.346 8.790 ( 0.699 0.284 1.449) 1.634 9.040 ( -1.373 -6.273 -0.162) 6.424 9.071 ( -4.639 -5.284 -0.709) 7.067 9.237 ( 0.227 -6.098 -0.799) 6.155 9.457 ( 0.509 0.321 -0.106) 0.611 9.518 ( -0.653 2.349 -0.190) 2.446 9.586 ( -1.975 -0.117 -0.381) 2.015 9.648 ( -2.760 -0.398 0.014) 2.788 9.676 ( 0.012 -1.102 0.002) 1.102 9.752 ( -1.737 -0.956 0.877) 2.168 10.363 ( 2.340 -3.103 3.124) 4.987 10.390 ( -2.229 -2.150 -5.840) 6.610 10.558 ( -0.025 -1.688 0.050) 1.689 10.607 ( 2.311 6.927 -0.021) 7.302 10.811 ( 1.301 2.432 -1.136) 2.982 10.988 ( 8.113 8.784 3.688) 12.513 11.267 ( 3.696 4.529 2.343) 6.298 11.480 ( 1.733 7.804 -1.266) 8.093 12.084 ( -3.271 -5.777 0.306) 6.646 12.349 ( -7.877 -0.108 -0.439) 7.890 12.714 ( 2.990 -13.121 -3.762) 13.973 12.950 ( -2.859 0.053 2.415) 3.743 15.943 ( 6.404 6.129 -2.469) 9.202 16.040 ( -0.943 11.225 2.919) 11.637 16.588 ( -0.304 -5.126 -0.506) 5.160 16.776 ( -1.293 -4.761 0.553) 4.965 ======================= Grid point 184 (80/95) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -7.031 8.020 8.536) 13.661 1.692 ( -2.527 4.033 -5.651) 7.388 1.779 ( -5.933 8.770 1.147) 10.650 1.802 ( -3.461 5.071 -5.898) 8.513 1.971 ( 2.280 1.488 -1.099) 2.936 2.283 ( -0.550 -2.329 1.165) 2.661 2.417 ( 0.312 2.269 0.367) 2.319 2.648 ( -0.594 3.617 -2.933) 4.695 2.745 ( 6.613 -5.495 1.380) 8.708 2.768 ( 6.009 -4.467 0.148) 7.489 2.853 ( -0.364 -1.861 1.264) 2.279 2.942 ( -3.155 -2.062 -3.559) 5.184 3.027 ( -4.738 3.695 -0.373) 6.020 3.092 ( -13.094 -0.703 2.614) 13.371 3.267 ( -6.631 6.703 2.335) 9.714 3.308 ( -4.143 2.007 3.373) 5.707 3.643 ( 0.764 -2.224 0.869) 2.507 3.751 ( -3.688 4.239 -3.295) 6.513 3.789 ( 3.689 -3.413 1.463) 5.234 3.844 ( 1.345 -8.992 -0.866) 9.133 4.008 ( 4.342 3.770 -1.988) 6.084 4.068 ( -1.126 -4.658 0.191) 4.796 4.212 ( 1.773 3.398 -0.193) 3.837 4.293 ( -2.403 -0.595 2.416) 3.459 4.421 ( 6.790 2.286 -2.158) 7.483 4.509 ( -1.630 -0.600 0.870) 1.943 4.689 ( 8.432 2.932 -0.786) 8.962 4.788 ( 1.848 -5.333 -0.380) 5.657 4.841 ( 4.211 1.168 -2.733) 5.155 4.981 ( 3.875 -2.725 0.172) 4.740 5.014 ( -1.168 -0.743 1.511) 2.049 5.153 ( 5.778 -1.474 0.357) 5.974 5.317 ( 1.480 -0.532 0.576) 1.675 5.386 ( -3.981 -1.977 0.902) 4.536 5.543 ( 0.542 -2.305 3.382) 4.129 5.662 ( -0.371 -1.131 -2.410) 2.688 5.983 ( -1.607 -1.034 -0.159) 1.917 6.179 ( -2.028 0.797 -0.051) 2.180 6.352 ( -4.113 -2.551 -1.088) 4.961 6.397 ( -1.415 0.728 -0.506) 1.670 6.630 ( 3.992 0.730 -0.752) 4.127 6.836 ( -0.549 0.971 1.302) 1.715 7.297 ( 5.756 -0.917 0.220) 5.833 7.427 ( 7.198 -0.449 -0.611) 7.238 7.611 ( -2.940 -1.671 -3.191) 4.649 7.715 ( -2.064 -0.317 2.890) 3.565 8.816 ( 1.912 0.655 2.355) 3.104 9.013 ( -6.435 -5.464 -3.134) 9.005 9.098 ( 0.471 -3.922 1.359) 4.177 9.256 ( -0.917 0.602 -2.534) 2.761 9.479 ( -0.845 0.742 2.754) 2.975 9.528 ( 1.518 0.215 -0.300) 1.562 9.561 ( 1.784 -3.949 0.071) 4.334 9.634 ( -0.013 -4.144 -0.492) 4.173 9.722 ( 0.741 -3.505 -1.080) 3.742 9.786 ( 3.301 -2.153 1.632) 4.266 10.346 ( -4.101 -3.412 -4.296) 6.849 10.400 ( -2.385 -0.790 2.492) 3.539 10.587 ( 2.692 4.684 2.854) 6.110 10.590 ( 2.415 0.283 0.017) 2.431 10.810 ( 1.362 3.111 -0.999) 3.540 11.041 ( 8.242 11.555 4.320) 14.836 11.225 ( -1.424 8.864 -3.791) 9.746 11.373 ( -5.055 6.312 -0.185) 8.089 11.773 ( -21.052 5.025 -2.260) 21.761 12.008 ( -17.610 8.500 1.869) 19.643 13.191 ( 20.160 -20.366 -2.473) 28.763 13.227 ( 17.254 -16.427 2.089) 23.915 15.835 ( -5.548 14.910 9.003) 18.280 15.926 ( -2.498 5.645 -9.531) 11.356 16.632 ( 0.273 -2.277 1.438) 2.707 16.765 ( -2.842 -1.212 -1.703) 3.528 ======================= Grid point 185 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -11.357 9.824 -4.068) 15.558 1.467 ( -8.848 9.877 7.503) 15.236 1.571 ( -8.161 9.039 13.081) 17.872 1.677 ( -2.073 4.531 -19.137) 19.775 2.014 ( 4.315 2.770 -1.693) 5.400 2.309 ( 0.413 -1.406 1.117) 1.843 2.394 ( -2.327 5.039 2.106) 5.936 2.423 ( -12.127 14.990 0.496) 19.287 2.598 ( -17.129 19.740 -0.713) 26.145 2.678 ( -7.247 15.394 1.674) 17.097 2.875 ( -7.042 -1.653 0.057) 7.233 2.947 ( 5.359 -6.923 0.019) 8.755 2.990 ( 1.237 -5.584 1.946) 6.042 3.015 ( 6.247 -8.033 -0.403) 10.184 3.229 ( 1.091 -2.441 -1.761) 3.202 3.296 ( -4.554 6.004 0.206) 7.538 3.503 ( 0.640 -1.821 -0.030) 1.930 3.792 ( 5.093 -3.172 -1.744) 6.248 3.942 ( 2.322 -2.550 3.060) 4.611 3.971 ( 3.940 -5.835 -2.703) 7.541 4.083 ( 4.075 -2.747 2.178) 5.375 4.142 ( 2.546 -8.283 0.398) 8.675 4.250 ( 5.795 -1.191 -2.702) 6.504 4.278 ( -0.402 -2.779 2.014) 3.455 4.486 ( -1.495 -2.247 0.611) 2.767 4.551 ( 6.795 -1.569 -1.809) 7.205 4.780 ( 2.590 1.078 0.815) 2.922 4.811 ( 0.838 -0.283 -6.002) 6.067 4.932 ( 1.737 -2.194 4.232) 5.074 4.955 ( -1.377 -0.727 -1.356) 2.065 5.153 ( 5.887 -5.782 3.695) 9.041 5.274 ( 5.106 0.728 -3.084) 6.009 5.353 ( -1.897 -2.757 1.100) 3.523 5.381 ( 4.111 -3.791 0.800) 5.649 5.576 ( -1.800 -3.556 3.678) 5.424 5.658 ( 0.741 0.872 -3.171) 3.372 5.970 ( -1.217 -1.677 1.334) 2.464 6.133 ( -2.752 -0.501 -0.795) 2.908 6.299 ( -3.605 -1.105 0.275) 3.781 6.356 ( -1.133 2.203 -1.374) 2.833 6.687 ( 3.955 1.251 -2.527) 4.858 6.797 ( -1.628 2.622 3.895) 4.970 7.461 ( 7.361 -6.158 -1.118) 9.662 7.557 ( 3.252 -0.793 -3.069) 4.541 7.612 ( 3.127 -5.255 0.539) 6.139 7.716 ( 1.248 -1.520 1.856) 2.704 8.849 ( 2.361 2.214 2.276) 3.956 8.945 ( -4.927 -3.194 -3.047) 6.615 9.121 ( -0.942 -0.700 0.649) 1.341 9.228 ( 0.136 1.298 -1.646) 2.100 9.423 ( -2.743 1.839 2.432) 4.102 9.563 ( 3.104 1.974 -0.491) 3.712 9.663 ( 3.375 -4.322 -2.025) 5.846 9.719 ( 0.603 -7.762 2.791) 8.270 9.752 ( 0.092 -2.917 -0.453) 2.954 9.915 ( 6.635 -2.832 0.553) 7.235 10.295 ( -5.528 -4.570 0.058) 7.173 10.332 ( -2.774 2.594 -0.807) 3.883 10.581 ( -0.242 2.999 1.019) 3.177 10.627 ( 0.977 2.972 0.237) 3.138 10.736 ( -5.843 7.668 0.673) 9.664 10.997 ( -3.675 18.166 -6.954) 19.796 11.074 ( 0.001 2.575 3.543) 4.380 11.203 ( -5.711 5.627 3.481) 8.741 11.413 ( -13.319 4.033 -1.836) 14.037 11.622 ( -12.579 13.524 -0.110) 18.471 13.729 ( 17.525 -20.120 -2.502) 26.799 13.750 ( 17.384 -20.764 2.117) 27.163 15.572 ( -8.597 17.682 13.352) 23.766 15.717 ( -8.766 8.754 -15.896) 20.153 16.644 ( -0.453 0.179 1.253) 1.345 16.712 ( -2.282 0.860 -1.332) 2.779 ======================= Grid point 186 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -9.018 12.132 -10.476) 18.391 1.210 ( -9.668 14.299 10.926) 20.428 1.390 ( -9.678 8.565 18.174) 22.301 1.503 ( -3.933 9.176 -22.316) 24.447 1.889 ( -8.817 24.798 11.837) 28.858 2.029 ( -11.423 25.343 -9.063) 29.239 2.091 ( 2.049 6.534 -0.665) 6.880 2.361 ( 0.441 -0.806 0.863) 1.261 2.382 ( -7.428 5.046 -0.322) 8.986 2.398 ( -2.287 7.513 1.792) 8.055 2.762 ( -2.069 2.471 -0.524) 3.265 2.965 ( -10.318 8.127 -1.172) 13.186 3.104 ( 3.308 -5.544 5.288) 8.345 3.129 ( 2.619 -4.358 -4.335) 6.681 3.246 ( 6.876 -8.246 -0.923) 10.776 3.314 ( 2.104 -6.874 0.527) 7.208 3.711 ( 8.427 -9.416 1.542) 12.730 3.906 ( 2.280 -5.783 -4.186) 7.495 3.962 ( -0.052 -1.028 0.345) 1.085 4.023 ( -0.767 -0.639 0.876) 1.328 4.190 ( 1.416 -7.790 1.912) 8.145 4.274 ( 1.186 -2.448 3.336) 4.305 4.355 ( 4.634 -4.951 -1.799) 7.016 4.408 ( 7.908 -1.443 1.636) 8.203 4.485 ( 0.623 -2.466 -1.957) 3.210 4.691 ( 5.222 -1.780 1.750) 5.788 4.752 ( -4.532 -1.768 -1.973) 5.250 4.796 ( 0.106 2.575 -5.977) 6.509 4.949 ( 0.242 -3.070 1.513) 3.431 4.997 ( -0.695 -4.199 2.391) 4.882 5.297 ( 2.357 -2.185 -1.771) 3.669 5.308 ( 1.921 -4.281 0.054) 4.693 5.396 ( 2.046 -4.082 4.145) 6.167 5.513 ( 5.226 -1.027 -1.987) 5.684 5.570 ( -3.211 -4.412 0.286) 5.464 5.646 ( 0.115 2.925 0.173) 2.932 5.994 ( 0.946 -2.800 2.408) 3.812 6.096 ( -2.858 -3.173 -1.870) 4.662 6.256 ( -0.647 1.511 0.004) 1.644 6.312 ( -1.269 1.617 -0.045) 2.056 6.725 ( 3.212 0.885 -2.625) 4.242 6.783 ( 0.031 -0.776 4.420) 4.487 7.583 ( 1.390 -1.525 -1.659) 2.648 7.607 ( 2.116 -3.719 -0.857) 4.364 7.769 ( 5.829 -5.960 -1.321) 8.441 7.816 ( 3.546 -5.785 1.761) 7.010 8.857 ( 1.339 4.082 1.397) 4.518 8.889 ( -2.500 0.079 -1.819) 3.092 9.108 ( 0.599 1.359 -1.179) 1.896 9.193 ( -3.004 1.977 1.541) 3.912 9.396 ( 2.410 1.670 -1.263) 3.193 9.595 ( 2.791 2.919 0.525) 4.073 9.731 ( -3.364 -6.797 2.851) 8.102 9.779 ( 2.450 -5.603 -1.892) 6.401 9.824 ( 2.853 -0.915 0.104) 2.998 10.003 ( -2.394 -2.798 1.630) 4.027 10.269 ( 2.023 0.603 -0.847) 2.275 10.294 ( 0.727 0.825 -1.208) 1.633 10.403 ( -13.917 18.729 6.733) 24.285 10.475 ( -10.105 15.554 -8.671) 20.475 10.507 ( -5.497 5.675 1.917) 8.130 10.661 ( -11.757 12.547 -2.026) 17.313 11.062 ( -0.358 -0.011 3.472) 3.491 11.138 ( 4.184 8.762 1.112) 9.773 11.191 ( -6.801 3.365 -2.927) 8.133 11.317 ( -6.043 12.564 -1.143) 13.989 14.186 ( 11.955 -18.383 -2.185) 22.037 14.221 ( 10.333 -20.079 1.880) 22.660 15.267 ( -8.081 19.509 12.799) 24.692 15.358 ( -10.682 15.880 -15.666) 24.733 16.634 ( 0.219 0.975 -0.188) 1.017 16.667 ( -1.439 1.326 0.221) 1.969 ======================= Grid point 187 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 8.921 11.852 -13.706) 20.196 0.914 ( -8.921 11.852 13.706) 20.196 1.173 ( -4.050 25.281 -14.912) 29.629 1.173 ( 4.050 25.281 14.912) 29.629 1.694 ( 0.681 10.146 -27.427) 29.251 1.694 ( -0.681 10.146 27.427) 29.251 2.106 ( -5.351 9.511 -0.909) 10.951 2.106 ( 5.351 9.511 0.909) 10.951 2.397 ( -0.809 -1.726 -0.278) 1.927 2.397 ( 0.809 -1.726 0.278) 1.927 2.742 ( -1.272 5.154 -3.405) 6.307 2.742 ( 1.272 5.154 3.405) 6.307 3.214 ( 0.555 -6.611 -5.822) 8.827 3.214 ( -0.555 -6.611 5.822) 8.827 3.398 ( 2.066 -6.004 -4.189) 7.607 3.398 ( -2.066 -6.004 4.189) 7.607 3.921 ( -4.213 -6.330 -5.993) 9.681 3.921 ( 4.213 -6.330 5.993) 9.681 4.014 ( 1.344 -2.150 -3.454) 4.285 4.014 ( -1.344 -2.150 3.454) 4.285 4.284 ( -1.638 -3.074 0.383) 3.504 4.284 ( 1.638 -3.074 -0.383) 3.504 4.435 ( 2.340 0.204 -3.227) 3.991 4.435 ( -2.340 0.204 3.227) 3.991 4.644 ( -9.253 -1.187 -3.080) 9.824 4.644 ( 9.253 -1.187 3.080) 9.824 4.740 ( -1.070 2.276 -3.656) 4.437 4.740 ( 1.070 2.276 3.656) 4.437 5.025 ( 1.715 -5.967 -5.725) 8.445 5.025 ( -1.715 -5.967 5.725) 8.445 5.365 ( 2.179 -4.545 -2.420) 5.591 5.365 ( -2.179 -4.545 2.420) 5.591 5.504 ( -3.577 -1.696 -5.185) 6.523 5.504 ( 3.577 -1.696 5.185) 6.523 5.601 ( 0.921 1.204 -1.401) 2.064 5.601 ( -0.921 1.204 1.401) 2.064 6.076 ( -2.060 -4.121 -4.152) 6.202 6.076 ( 2.060 -4.121 4.152) 6.202 6.268 ( 0.599 0.401 -2.819) 2.910 6.268 ( -0.599 0.401 2.819) 2.910 6.813 ( 2.170 -6.444 -6.637) 9.501 6.813 ( -2.170 -6.444 6.637) 9.501 7.623 ( -1.783 -1.112 -0.731) 2.225 7.623 ( 1.783 -1.112 0.731) 2.225 7.873 ( 2.935 0.530 -4.925) 5.758 7.873 ( -2.935 0.530 4.925) 5.758 8.831 ( 0.555 4.450 -6.435) 7.843 8.831 ( -0.555 4.450 6.435) 7.843 9.114 ( 1.009 2.191 -2.571) 3.526 9.114 ( -1.009 2.191 2.571) 3.526 9.499 ( -0.191 1.106 -1.348) 1.754 9.499 ( 0.191 1.106 1.348) 1.754 9.806 ( -6.722 0.589 -0.818) 6.797 9.806 ( 6.722 0.589 0.818) 6.797 9.919 ( -7.563 -1.951 -0.036) 7.811 9.919 ( 7.563 -1.951 0.036) 7.811 9.993 ( 0.016 28.912 -9.195) 30.340 9.993 ( -0.016 28.912 9.195) 30.340 10.294 ( -1.168 4.716 -2.621) 5.520 10.294 ( 1.168 4.716 2.621) 5.520 10.418 ( 0.197 4.320 -3.768) 5.735 10.418 ( -0.197 4.320 3.768) 5.735 11.085 ( -1.600 1.334 -2.730) 3.434 11.085 ( 1.600 1.334 2.730) 3.434 11.139 ( -3.078 5.466 -1.612) 6.477 11.139 ( 3.078 5.466 1.612) 6.477 14.484 ( 2.544 -14.366 -2.393) 14.784 14.484 ( -2.544 -14.366 2.393) 14.784 15.021 ( -1.397 17.588 -6.562) 18.824 15.021 ( 1.397 17.588 6.562) 18.824 16.634 ( 0.307 1.134 -1.584) 1.972 16.634 ( -0.307 1.134 1.584) 1.972 ======================= Grid point 191 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 16.411 0.000 -2.225) 16.561 1.562 ( 7.250 0.000 -11.361) 13.477 1.843 ( 5.941 0.000 9.774) 11.438 1.871 ( 13.019 0.000 4.105) 13.650 2.117 ( -0.411 -0.000 3.482) 3.506 2.134 ( -1.261 -0.000 -4.943) 5.101 2.411 ( 3.577 0.000 -3.772) 5.198 2.463 ( 0.625 0.000 3.834) 3.885 2.694 ( 4.192 0.000 -0.491) 4.221 2.741 ( -5.167 -0.000 1.156) 5.295 2.767 ( -7.617 -0.000 -2.167) 7.919 2.922 ( 14.152 0.000 -1.441) 14.226 3.138 ( -7.661 -0.000 3.967) 8.627 3.176 ( -6.063 -0.000 -6.588) 8.953 3.277 ( 7.363 0.000 2.043) 7.641 3.456 ( -7.077 -0.000 7.777) 10.515 3.576 ( 6.538 0.000 -0.378) 6.549 3.676 ( 15.425 0.000 -0.091) 15.425 3.800 ( -3.834 -0.000 0.170) 3.838 3.888 ( -12.097 -0.000 -1.544) 12.195 3.968 ( -6.908 -0.000 -3.218) 7.621 4.020 ( 0.582 0.000 0.373) 0.692 4.190 ( -2.330 -0.000 7.505) 7.859 4.377 ( 0.796 0.000 -2.488) 2.613 4.438 ( 0.668 0.000 -2.450) 2.539 4.533 ( -0.950 -0.000 0.835) 1.265 4.659 ( 1.196 0.000 -4.271) 4.436 4.869 ( -2.003 -0.000 -0.208) 2.014 4.883 ( -5.296 -0.000 -0.534) 5.323 4.936 ( -1.426 -0.000 7.185) 7.325 5.082 ( -2.225 -0.000 -5.358) 5.802 5.155 ( -1.245 -0.000 -8.516) 8.607 5.288 ( -3.638 -0.000 5.362) 6.480 5.451 ( -0.214 -0.000 1.899) 1.911 5.538 ( -0.972 -0.000 1.372) 1.681 5.612 ( -2.746 -0.000 2.372) 3.628 5.984 ( -0.116 -0.000 -2.215) 2.218 6.277 ( 1.612 0.000 -3.696) 4.033 6.329 ( 1.777 0.000 0.940) 2.010 6.492 ( -3.651 -0.000 -3.752) 5.236 6.544 ( -1.412 -0.000 3.235) 3.530 6.675 ( 4.993 0.000 3.066) 5.859 7.386 ( -3.757 -0.000 -0.492) 3.789 7.425 ( -3.494 -0.000 0.725) 3.568 7.698 ( -0.356 -0.000 0.196) 0.406 7.705 ( -1.779 -0.000 0.022) 1.779 8.831 ( -0.081 -0.000 3.034) 3.035 8.915 ( -2.597 -0.000 -2.137) 3.363 9.063 ( -3.768 -0.000 -0.188) 3.772 9.121 ( -5.722 -0.000 0.004) 5.722 9.453 ( 0.504 0.000 -0.782) 0.930 9.558 ( 2.603 0.000 0.049) 2.604 9.590 ( -1.372 -0.000 0.078) 1.374 9.716 ( -5.817 -0.000 -0.538) 5.842 9.759 ( -4.901 -0.000 -0.697) 4.950 9.848 ( -5.705 -0.000 0.673) 5.744 10.229 ( 1.511 0.000 0.219) 1.527 10.420 ( 2.426 0.000 -5.702) 6.197 10.463 ( 3.927 0.000 -2.755) 4.797 10.779 ( 3.831 0.000 2.727) 4.703 10.811 ( 4.387 0.000 -2.182) 4.899 10.878 ( 1.123 0.000 4.329) 4.473 11.378 ( 11.520 0.000 5.366) 12.709 11.519 ( 13.266 0.000 5.648) 14.419 11.668 ( 9.144 0.000 1.878) 9.335 11.828 ( 15.740 0.000 -10.076) 18.689 13.175 ( -32.644 -0.000 -3.426) 32.823 13.325 ( -22.798 -0.000 2.641) 22.950 15.811 ( 21.019 0.000 -6.097) 21.885 16.238 ( 10.024 0.000 7.962) 12.801 16.522 ( -3.334 -0.000 -0.738) 3.415 16.594 ( -3.200 -0.000 1.456) 3.516 ======================= Grid point 192 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 7.834 0.890 -5.694) 9.726 1.820 ( 9.498 -2.310 -0.294) 9.780 1.939 ( 3.439 2.501 3.517) 5.518 2.017 ( -2.852 7.314 -0.163) 7.852 2.047 ( 6.978 3.618 1.217) 7.954 2.169 ( -1.868 -6.593 0.100) 6.853 2.450 ( 0.810 0.939 -1.012) 1.601 2.500 ( 2.682 -3.587 -0.610) 4.520 2.626 ( -5.068 0.202 -0.397) 5.087 2.650 ( -1.525 -0.503 -0.166) 1.614 2.795 ( 0.947 -4.711 1.156) 4.943 2.968 ( -7.531 0.954 0.374) 7.600 3.010 ( -1.271 0.050 -4.168) 4.358 3.208 ( 4.533 -2.830 0.313) 5.353 3.316 ( -2.814 -2.162 0.301) 3.561 3.433 ( -3.788 -0.045 8.845) 9.622 3.489 ( -5.922 -0.217 0.340) 5.935 3.676 ( -10.912 -3.703 1.172) 11.583 3.870 ( -0.590 1.728 -5.400) 5.700 3.885 ( 8.367 3.454 -1.187) 9.129 3.961 ( 11.144 -0.392 -2.223) 11.370 4.067 ( 1.573 -3.586 2.736) 4.778 4.159 ( -2.246 2.923 5.494) 6.616 4.297 ( -5.388 -1.217 -2.015) 5.880 4.526 ( 6.923 4.320 -0.805) 8.200 4.573 ( 6.876 -0.372 -0.765) 6.928 4.683 ( 2.809 1.620 -0.987) 3.389 4.790 ( -3.713 3.942 0.005) 5.415 4.848 ( -1.589 -1.712 -1.159) 2.607 4.889 ( -2.203 3.181 2.982) 4.885 5.050 ( -0.357 -1.553 -0.285) 1.619 5.092 ( -1.382 2.642 -7.747) 8.301 5.272 ( -1.811 -3.377 3.705) 5.330 5.437 ( -1.920 1.327 1.782) 2.936 5.507 ( -0.729 1.982 0.974) 2.325 5.597 ( -2.372 -4.071 1.643) 4.990 5.980 ( 0.068 -0.382 -1.981) 2.018 6.266 ( -0.763 2.127 -0.646) 2.350 6.345 ( -2.033 -1.591 -2.350) 3.491 6.411 ( -2.794 -0.621 -0.306) 2.879 6.551 ( 0.920 -1.620 0.151) 1.869 6.771 ( 3.532 -0.752 2.274) 4.267 7.358 ( 1.762 3.414 1.407) 4.091 7.408 ( 3.198 2.806 -1.691) 4.578 7.648 ( -4.329 0.081 -0.496) 4.358 7.689 ( -2.450 -2.844 1.216) 3.946 8.813 ( -0.095 2.296 1.308) 2.644 8.899 ( -3.052 -5.935 -0.611) 6.702 9.010 ( -1.967 -0.223 0.046) 1.980 9.085 ( -1.384 -6.596 -0.348) 6.748 9.459 ( 0.709 -0.120 -1.075) 1.294 9.564 ( -1.305 0.785 0.159) 1.531 9.589 ( 0.049 0.773 -0.130) 0.785 9.637 ( -2.937 0.112 0.559) 2.992 9.660 ( -5.017 -0.890 0.333) 5.106 9.726 ( -5.910 -1.106 -0.353) 6.023 10.297 ( 3.000 -0.722 2.164) 3.769 10.431 ( 3.401 2.023 -8.221) 9.124 10.511 ( 0.489 -2.210 -0.709) 2.372 10.749 ( -0.841 5.166 -2.408) 5.762 10.865 ( 2.959 2.501 -0.381) 3.892 10.991 ( 4.855 -3.698 7.908) 9.989 11.519 ( 10.998 13.759 3.813) 18.022 11.676 ( 7.217 10.859 3.530) 13.508 11.875 ( 5.172 -11.071 0.870) 12.250 12.166 ( 15.709 -14.600 -7.191) 22.620 12.593 ( -29.195 -0.240 -2.775) 29.327 12.980 ( -13.945 1.413 2.182) 14.185 16.092 ( 13.300 6.991 -2.265) 15.195 16.307 ( 3.243 11.829 2.604) 12.539 16.458 ( -3.896 -4.751 -1.261) 6.272 16.616 ( -1.785 -10.357 2.061) 10.710 ======================= Grid point 193 (86/95) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 5.632 3.231 -4.070) 7.663 1.832 ( -5.318 6.988 2.491) 9.128 1.882 ( -3.834 5.156 -1.337) 6.563 1.938 ( -0.806 4.981 -2.124) 5.475 2.052 ( -0.105 5.701 2.303) 6.149 2.214 ( 0.161 -4.557 0.072) 4.561 2.452 ( 2.043 1.215 0.181) 2.384 2.608 ( 4.304 -4.291 -1.710) 6.314 2.633 ( 3.213 -5.399 -0.672) 6.319 2.664 ( 0.041 -3.583 1.034) 3.729 2.862 ( 1.058 -4.420 -1.881) 4.919 2.888 ( -0.466 1.129 0.191) 1.236 2.973 ( -2.467 -1.950 -2.657) 4.117 3.165 ( -7.320 3.133 0.395) 7.972 3.323 ( -1.809 0.527 8.142) 8.357 3.402 ( -6.373 1.391 1.750) 6.753 3.473 ( 5.667 -7.870 3.315) 10.249 3.644 ( 0.593 -7.998 -1.363) 8.135 3.798 ( -1.484 3.017 -4.860) 5.910 3.877 ( -3.604 5.665 -1.680) 6.921 4.032 ( -3.395 0.133 1.150) 3.587 4.104 ( 4.167 4.486 -1.464) 6.295 4.178 ( -0.357 -4.844 -0.528) 4.886 4.275 ( 1.387 -1.902 4.101) 4.729 4.542 ( 1.384 8.273 -0.908) 8.437 4.620 ( -4.850 8.616 2.201) 10.129 4.701 ( 3.162 -2.534 -0.433) 4.075 4.748 ( 7.352 2.882 -1.202) 7.988 4.854 ( 2.511 -0.382 -1.978) 3.219 4.903 ( 2.429 -3.869 1.089) 4.696 5.027 ( -1.698 0.888 -6.034) 6.331 5.109 ( 4.444 -2.229 3.185) 5.904 5.294 ( -0.703 -2.478 2.231) 3.407 5.379 ( -2.623 1.446 0.868) 3.118 5.490 ( -1.566 -1.664 1.230) 2.595 5.609 ( -1.248 -4.002 0.378) 4.209 5.975 ( -0.292 0.252 -1.242) 1.300 6.205 ( -2.944 1.615 -3.132) 4.592 6.301 ( -3.224 -2.199 1.201) 4.083 6.404 ( 0.023 0.072 -0.131) 0.152 6.606 ( 2.500 -2.935 -1.529) 4.148 6.822 ( 0.658 -0.940 1.053) 1.558 7.361 ( 3.165 5.800 2.407) 7.032 7.456 ( 5.651 3.158 -1.800) 6.719 7.573 ( -3.994 -2.204 -1.992) 4.978 7.681 ( -2.422 -3.459 1.975) 4.662 8.818 ( 1.178 -0.489 1.290) 1.814 8.899 ( -2.511 -4.357 -1.345) 5.205 9.020 ( 1.416 -2.445 0.836) 2.947 9.173 ( 1.428 -8.022 -0.641) 8.173 9.486 ( 1.462 0.416 -0.831) 1.733 9.510 ( -2.520 0.758 0.829) 2.759 9.547 ( -3.150 0.044 -0.390) 3.174 9.586 ( 0.478 -1.076 1.135) 1.635 9.658 ( 0.225 -2.835 -0.581) 2.902 9.723 ( 1.605 -3.428 0.340) 3.800 10.306 ( -1.540 1.322 0.212) 2.041 10.443 ( 0.775 2.840 -4.182) 5.114 10.555 ( 2.022 -3.300 2.873) 4.820 10.673 ( -1.163 2.719 -4.259) 5.185 10.897 ( 4.101 4.328 0.314) 5.971 11.102 ( 2.246 -0.596 6.806) 7.191 11.500 ( -1.615 10.305 3.644) 11.049 11.627 ( 7.226 20.666 -5.643) 22.608 11.827 ( -20.567 -0.067 -2.716) 20.746 12.126 ( -10.669 3.035 4.946) 12.145 12.723 ( 16.344 -24.570 -5.472) 30.013 12.937 ( 5.125 -10.494 2.650) 11.976 16.093 ( 0.809 10.681 -5.761) 12.162 16.166 ( -2.878 16.023 5.618) 17.222 16.529 ( 1.761 -7.691 0.153) 7.892 16.681 ( -2.116 -7.149 0.079) 7.456 ======================= Grid point 194 (87/95) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -6.466 9.215 2.103) 11.452 1.662 ( -7.262 10.298 2.796) 12.908 1.772 ( -1.223 5.910 -9.617) 11.354 1.788 ( -6.983 9.335 -0.214) 11.659 2.048 ( 4.153 1.012 1.150) 4.426 2.254 ( 0.138 -3.432 -0.648) 3.495 2.465 ( 0.682 4.032 1.061) 4.225 2.673 ( 0.134 3.359 -1.809) 3.818 2.744 ( 0.948 -8.487 2.764) 8.976 2.789 ( 4.108 -7.017 -3.646) 8.911 2.873 ( -0.635 -0.544 -2.208) 2.361 2.901 ( 0.599 -0.906 -0.664) 1.273 2.923 ( -2.398 6.849 6.681) 9.864 3.001 ( -3.370 8.334 -1.345) 9.090 3.224 ( -5.167 4.033 3.299) 7.338 3.344 ( 2.504 1.839 2.879) 4.236 3.605 ( -6.234 5.320 -0.018) 8.195 3.754 ( 0.412 1.089 -4.282) 4.437 3.783 ( 4.951 -9.766 -0.821) 10.979 3.817 ( 6.119 -9.117 0.350) 10.986 3.983 ( -2.573 -3.445 1.433) 4.532 4.107 ( -0.759 0.801 -0.425) 1.182 4.201 ( 2.061 -2.605 -4.729) 5.779 4.288 ( -1.821 3.042 5.001) 6.130 4.474 ( -3.424 2.176 2.070) 4.554 4.538 ( 4.031 0.124 -1.286) 4.233 4.732 ( -2.351 -2.863 -0.309) 3.718 4.843 ( 5.583 1.907 -0.724) 5.944 4.937 ( 5.178 1.397 -3.473) 6.389 4.956 ( -2.933 -1.247 -3.160) 4.488 5.024 ( 3.815 -5.033 4.447) 7.724 5.239 ( 2.379 -4.088 4.780) 6.724 5.297 ( -0.702 -0.592 -1.469) 1.732 5.360 ( 3.425 -0.315 -0.887) 3.552 5.484 ( -3.765 -4.591 2.301) 6.368 5.637 ( 0.259 -2.864 -0.335) 2.895 5.960 ( -0.228 0.829 -0.059) 0.862 6.129 ( -3.405 -0.040 -4.050) 5.292 6.285 ( -1.068 -0.329 3.473) 3.649 6.390 ( -0.674 1.165 -1.662) 2.139 6.676 ( 2.588 -2.556 -2.392) 4.353 6.819 ( -2.091 -0.310 1.610) 2.657 7.395 ( 4.242 0.008 1.197) 4.408 7.509 ( 0.054 -3.967 0.018) 3.968 7.562 ( 2.850 0.734 -2.566) 3.905 7.692 ( 0.288 -1.279 1.487) 1.983 8.850 ( 0.554 -2.248 -2.454) 3.373 8.910 ( 1.747 0.490 1.881) 2.614 9.088 ( 2.176 -2.418 1.319) 3.510 9.235 ( 0.066 -1.739 -1.919) 2.590 9.436 ( -4.107 -0.160 0.967) 4.223 9.506 ( -2.153 -7.849 2.254) 8.445 9.605 ( 5.728 -0.301 -1.826) 6.020 9.635 ( 3.378 1.482 1.045) 3.834 9.702 ( 2.446 -3.092 0.051) 3.943 9.828 ( 4.432 -5.176 0.088) 6.815 10.252 ( -2.494 1.135 1.539) 3.143 10.380 ( -2.069 2.569 -3.564) 4.856 10.624 ( 0.467 0.742 -3.167) 3.286 10.645 ( 1.464 -0.934 3.155) 3.602 10.891 ( -0.583 6.115 -0.009) 6.142 11.111 ( -1.744 2.314 0.525) 2.945 11.232 ( -17.692 5.457 -0.520) 18.522 11.439 ( -12.319 5.870 7.290) 15.471 11.554 ( 6.340 19.057 -7.875) 21.573 11.911 ( -5.801 14.234 2.514) 15.575 13.251 ( 14.564 -26.054 -4.119) 30.131 13.298 ( 11.874 -22.270 3.107) 25.428 15.927 ( -3.378 11.770 -10.144) 15.901 15.940 ( -5.670 17.121 8.999) 20.156 16.608 ( 0.229 -3.794 0.862) 3.898 16.691 ( -2.150 -3.130 -0.562) 3.838 ======================= Grid point 195 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -4.658 14.585 -7.021) 16.844 1.483 ( -7.755 11.672 9.507) 16.934 1.549 ( -6.073 9.125 13.328) 17.257 1.639 ( -1.811 6.105 -18.862) 19.908 2.146 ( 6.879 0.531 -0.421) 6.912 2.284 ( -0.568 -2.345 -0.580) 2.481 2.399 ( -3.023 6.058 0.188) 6.773 2.462 ( -5.744 19.432 1.259) 20.302 2.620 ( -5.241 22.634 1.004) 23.255 2.701 ( -9.296 17.572 2.207) 20.001 2.840 ( 3.899 2.576 -0.948) 4.768 2.919 ( 1.414 -8.291 0.037) 8.411 3.007 ( 3.836 -2.257 0.845) 4.530 3.044 ( 6.301 -9.212 1.615) 11.277 3.189 ( -1.474 -4.713 -1.526) 5.169 3.255 ( -9.204 11.541 -1.249) 14.815 3.542 ( 6.934 -5.700 2.086) 9.215 3.775 ( -0.796 -5.876 -5.954) 8.403 3.930 ( 0.690 -3.300 0.870) 3.482 3.976 ( -4.638 -6.027 3.437) 8.346 4.034 ( 7.503 -5.712 -0.314) 9.435 4.188 ( 7.431 -7.660 -1.104) 10.729 4.239 ( -3.528 -1.816 2.769) 4.839 4.310 ( 5.110 -6.663 -2.221) 8.686 4.448 ( 0.210 -1.544 1.537) 2.189 4.631 ( 0.948 -4.967 -0.637) 5.097 4.697 ( -1.997 -0.900 1.785) 2.826 4.849 ( -1.953 1.478 -6.474) 6.922 4.934 ( 1.316 0.666 1.685) 2.239 4.974 ( 1.303 1.427 -0.714) 2.060 5.177 ( 3.689 -6.886 4.441) 8.986 5.257 ( -2.080 -3.551 -0.567) 4.154 5.312 ( 1.094 -2.187 -0.451) 2.486 5.456 ( -5.222 -6.124 0.784) 8.086 5.500 ( 7.812 -1.174 -0.411) 7.910 5.659 ( -0.868 -1.514 0.585) 1.841 5.963 ( 1.002 0.031 1.651) 1.931 6.061 ( -3.285 -0.516 -3.603) 4.903 6.285 ( 0.533 1.367 3.284) 3.597 6.350 ( -1.241 1.864 -2.263) 3.183 6.727 ( 1.802 -1.371 -3.323) 4.021 6.779 ( -2.722 -0.072 3.272) 4.257 7.511 ( 4.262 -5.352 -0.165) 6.844 7.552 ( 0.419 -4.021 -1.197) 4.216 7.637 ( 4.008 -3.829 0.749) 5.594 7.719 ( 0.309 -2.316 0.116) 2.339 8.878 ( 2.620 -0.218 -4.734) 5.415 8.935 ( 1.007 2.956 4.331) 5.339 9.138 ( 2.265 0.634 0.307) 2.372 9.225 ( -1.030 1.041 -0.681) 1.615 9.399 ( -0.455 -1.394 -1.126) 1.849 9.532 ( -6.969 -9.129 3.398) 11.977 9.683 ( 6.649 2.634 0.068) 7.152 9.707 ( 4.861 -1.070 -1.201) 5.120 9.791 ( 2.229 -2.085 1.219) 3.286 9.919 ( -2.331 -4.545 1.112) 5.228 10.249 ( 3.889 0.362 0.297) 3.917 10.342 ( 2.557 2.222 -4.305) 5.478 10.573 ( -3.543 2.684 1.815) 4.801 10.665 ( -0.580 3.746 -0.441) 3.816 10.710 ( -7.720 9.443 -0.748) 12.220 10.838 ( -17.026 4.227 -2.644) 17.741 11.093 ( 0.253 3.043 4.346) 5.312 11.240 ( -8.086 2.385 2.751) 8.868 11.463 ( 7.878 20.674 -4.372) 22.552 11.654 ( -4.432 19.117 0.906) 19.645 13.723 ( 9.392 -26.064 -2.684) 27.835 13.741 ( 7.987 -25.833 2.185) 27.128 15.676 ( -6.284 19.382 13.230) 24.294 15.687 ( -3.387 15.777 -14.568) 21.739 16.634 ( 0.207 -1.338 -0.127) 1.360 16.675 ( -1.768 -0.838 0.244) 1.971 ======================= Grid point 196 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 6.369 15.804 -9.172) 19.350 1.209 ( -6.369 15.804 9.172) 19.350 1.487 ( -0.347 7.857 -21.351) 22.753 1.487 ( 0.347 7.857 21.351) 22.753 2.150 ( -2.295 27.083 -7.222) 28.123 2.150 ( 2.295 27.083 7.222) 28.123 2.270 ( -7.945 2.534 0.058) 8.339 2.270 ( 7.945 2.534 -0.058) 8.339 2.420 ( -3.321 9.701 0.319) 10.259 2.420 ( 3.321 9.701 -0.319) 10.259 2.887 ( -5.279 6.989 -2.052) 8.995 2.887 ( 5.279 6.989 2.052) 8.995 3.089 ( -0.586 -4.058 -3.644) 5.485 3.089 ( 0.586 -4.058 3.644) 5.485 3.231 ( -1.564 -9.259 -3.308) 9.956 3.231 ( 1.564 -9.259 3.308) 9.956 3.765 ( -6.477 -8.176 -5.373) 11.733 3.765 ( 6.477 -8.176 5.373) 11.733 3.967 ( 1.389 -2.561 -3.154) 4.293 3.967 ( -1.389 -2.561 3.154) 4.293 4.203 ( -0.834 -4.628 -1.293) 4.877 4.203 ( 0.834 -4.628 1.293) 4.877 4.383 ( 4.373 -6.030 -3.855) 8.387 4.383 ( -4.373 -6.030 3.855) 8.387 4.575 ( -6.870 -4.657 0.117) 8.301 4.575 ( 6.870 -4.657 -0.117) 8.301 4.766 ( -2.379 0.131 -7.937) 8.287 4.766 ( 2.379 0.131 7.937) 8.287 4.957 ( -1.717 0.103 0.370) 1.759 4.957 ( 1.717 0.103 -0.370) 1.759 5.275 ( 0.076 -4.271 -2.626) 5.014 5.275 ( -0.076 -4.271 2.626) 5.014 5.416 ( -4.678 -5.679 -2.902) 7.910 5.416 ( 4.678 -5.679 2.902) 7.910 5.623 ( -3.603 -0.062 0.498) 3.638 5.623 ( 3.603 -0.062 -0.498) 3.638 6.009 ( -2.388 -1.756 -3.125) 4.307 6.009 ( 2.388 -1.756 3.125) 4.307 6.297 ( -0.670 1.952 -3.951) 4.458 6.297 ( 0.670 1.952 3.951) 4.458 6.757 ( 1.449 -0.983 -4.426) 4.760 6.757 ( -1.449 -0.983 4.426) 4.760 7.592 ( -0.281 -2.301 -1.306) 2.661 7.592 ( 0.281 -2.301 1.306) 2.661 7.760 ( -1.183 -7.714 -1.125) 7.885 7.760 ( 1.183 -7.714 1.125) 7.885 8.902 ( 2.038 2.752 -5.672) 6.625 8.902 ( -2.038 2.752 5.672) 6.625 9.167 ( 0.877 2.549 -3.018) 4.047 9.167 ( -0.877 2.549 3.018) 4.047 9.474 ( 6.648 -3.690 -4.661) 8.919 9.474 ( -6.648 -3.690 4.661) 8.919 9.786 ( -2.964 -0.839 -1.045) 3.253 9.786 ( 2.964 -0.839 1.045) 3.253 9.841 ( -8.958 -2.690 1.324) 9.446 9.841 ( 8.958 -2.690 -1.324) 9.446 10.334 ( -2.779 1.795 -1.875) 3.803 10.334 ( 2.779 1.795 1.875) 3.803 10.509 ( -1.965 10.432 -5.978) 12.184 10.509 ( 1.965 10.432 5.978) 12.184 10.560 ( -2.638 10.242 -4.451) 11.474 10.560 ( 2.638 10.242 4.451) 11.474 11.110 ( -2.422 2.122 -2.930) 4.354 11.110 ( 2.422 2.122 2.930) 4.354 11.379 ( -4.956 17.355 0.497) 18.056 11.379 ( 4.956 17.355 -0.497) 18.056 14.075 ( 1.124 -24.511 -1.982) 24.617 14.075 ( -1.124 -24.511 1.982) 24.617 15.432 ( 1.540 20.503 -14.853) 25.364 15.432 ( -1.540 20.503 14.853) 25.364 16.652 ( 0.484 0.224 -2.470) 2.527 16.652 ( -0.484 0.224 2.470) 2.527 ======================= Grid point 202 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 7.780 0.000 -1.797) 7.985 1.875 ( -2.005 -0.000 -2.384) 3.114 1.995 ( 1.236 0.000 -1.801) 2.184 2.002 ( -6.974 -0.000 2.598) 7.442 2.125 ( 3.083 0.000 -0.023) 3.083 2.127 ( -1.168 -0.000 0.203) 1.185 2.477 ( 3.616 0.000 -0.313) 3.630 2.546 ( 1.565 0.000 -0.714) 1.720 2.557 ( 0.868 0.000 0.873) 1.231 2.641 ( -0.310 -0.000 -1.150) 1.191 2.794 ( 2.046 0.000 1.130) 2.337 2.881 ( -2.047 -0.000 -2.558) 3.276 2.978 ( -0.160 -0.000 -3.856) 3.860 3.221 ( -5.552 -0.000 -0.440) 5.570 3.278 ( 3.719 0.000 3.050) 4.810 3.338 ( -2.261 -0.000 10.451) 10.692 3.500 ( -4.971 -0.000 2.301) 5.478 3.527 ( 3.651 0.000 -1.310) 3.879 3.838 ( -1.787 -0.000 -8.107) 8.302 3.998 ( 0.275 0.000 -4.452) 4.460 4.000 ( -3.300 -0.000 3.321) 4.682 4.094 ( -2.821 -0.000 2.315) 3.649 4.188 ( -2.023 -0.000 -2.147) 2.950 4.225 ( 6.961 0.000 4.646) 8.369 4.644 ( 2.660 0.000 0.550) 2.717 4.673 ( 0.554 0.000 0.084) 0.561 4.731 ( -1.278 -0.000 2.928) 3.195 4.816 ( 4.498 0.000 -5.514) 7.116 4.819 ( 4.269 0.000 1.291) 4.460 4.884 ( -4.280 -0.000 3.142) 5.310 4.977 ( -0.712 -0.000 -3.225) 3.303 5.125 ( 3.471 0.000 -4.226) 5.468 5.240 ( -0.555 -0.000 5.092) 5.122 5.406 ( -2.585 -0.000 -1.671) 3.078 5.502 ( -4.324 -0.000 1.152) 4.475 5.530 ( 0.269 0.000 1.919) 1.937 5.981 ( 0.596 0.000 -1.151) 1.296 6.231 ( -5.480 -0.000 -6.313) 8.360 6.271 ( -0.729 -0.000 3.845) 3.913 6.406 ( 0.574 0.000 0.126) 0.588 6.561 ( 1.708 0.000 -1.908) 2.561 6.814 ( 0.797 0.000 1.584) 1.773 7.453 ( 4.600 0.000 2.789) 5.379 7.503 ( 3.573 0.000 -3.240) 4.823 7.575 ( -2.231 -0.000 0.247) 2.245 7.583 ( -5.546 -0.000 0.810) 5.605 8.801 ( -1.560 -0.000 -1.086) 1.901 8.867 ( 2.581 0.000 1.968) 3.246 9.026 ( 1.672 0.000 0.328) 1.704 9.036 ( 1.640 0.000 -0.228) 1.656 9.496 ( 4.460 0.000 -2.784) 5.258 9.535 ( -4.800 -0.000 -0.183) 4.803 9.537 ( -6.171 -0.000 0.502) 6.191 9.570 ( -1.035 -0.000 2.931) 3.109 9.628 ( 2.504 0.000 -0.510) 2.556 9.680 ( 0.820 0.000 -0.473) 0.947 10.347 ( 1.283 0.000 -0.900) 1.567 10.478 ( -3.809 -0.000 6.175) 7.255 10.497 ( 5.198 0.000 -4.379) 6.797 10.701 ( -2.601 -0.000 -9.858) 10.196 10.943 ( 2.676 0.000 0.934) 2.834 11.095 ( 5.024 0.000 7.146) 8.736 11.669 ( -12.095 -0.000 9.488) 15.372 11.727 ( -5.749 -0.000 -5.846) 8.199 12.045 ( 12.972 0.000 -2.655) 13.241 12.141 ( -11.802 -0.000 9.376) 15.073 12.313 ( 14.505 0.000 -12.026) 18.842 12.830 ( -3.600 -0.000 1.730) 3.994 16.307 ( -4.905 -0.000 -4.049) 6.360 16.336 ( 4.699 0.000 -0.630) 4.741 16.466 ( -1.169 -0.000 4.562) 4.710 16.486 ( 1.554 0.000 0.489) 1.629 ======================= Grid point 203 (91/95) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -5.177 3.021 -3.793) 7.093 1.839 ( -6.969 5.133 1.749) 8.831 1.894 ( 2.489 5.975 -0.826) 6.525 1.951 ( -3.645 5.588 -2.915) 7.281 2.059 ( -2.019 -0.363 3.082) 3.702 2.182 ( 0.964 -3.074 -1.897) 3.738 2.532 ( 3.531 2.381 1.967) 4.691 2.602 ( -0.163 -4.653 1.450) 4.877 2.636 ( 3.582 -3.269 -0.971) 4.946 2.650 ( 3.210 -4.143 -2.354) 5.745 2.856 ( -0.717 -1.575 1.498) 2.288 2.860 ( 1.874 -1.281 -4.837) 5.343 3.002 ( 5.102 1.773 -0.277) 5.408 3.148 ( 0.632 5.190 0.609) 5.263 3.321 ( -2.752 0.980 3.545) 4.593 3.373 ( 2.793 0.784 7.139) 7.706 3.548 ( 7.550 -4.077 3.494) 9.264 3.637 ( 6.446 -4.609 -4.138) 8.939 3.746 ( -5.296 1.009 -6.281) 8.278 3.861 ( -4.142 6.754 -1.819) 8.129 3.956 ( -4.673 -0.439 3.270) 5.720 4.049 ( -5.450 -5.734 1.074) 7.983 4.195 ( 3.249 1.481 -5.377) 6.454 4.339 ( 2.244 0.538 5.434) 5.904 4.551 ( -6.563 3.332 0.602) 7.384 4.586 ( -7.850 3.911 2.035) 9.004 4.711 ( -0.026 1.527 -1.218) 1.953 4.847 ( -1.870 -5.591 2.956) 6.595 4.871 ( 3.140 -0.367 -3.112) 4.436 4.949 ( 6.348 -0.244 -2.584) 6.858 4.997 ( 2.134 -0.062 -0.259) 2.151 5.193 ( 2.891 -0.238 2.507) 3.834 5.262 ( -0.603 -2.329 2.694) 3.612 5.364 ( 1.053 0.472 -4.181) 4.337 5.425 ( -4.372 -0.855 1.436) 4.681 5.567 ( 0.881 -2.876 1.010) 3.173 5.987 ( 0.719 1.106 0.270) 1.346 6.130 ( -3.605 0.057 -5.958) 6.964 6.282 ( 0.302 -0.021 5.189) 5.198 6.407 ( -0.065 0.572 -1.466) 1.575 6.606 ( 2.403 -2.938 -3.073) 4.883 6.810 ( -1.836 -0.286 1.309) 2.272 7.431 ( -3.005 2.123 0.720) 3.749 7.454 ( -4.712 -1.371 -0.027) 4.908 7.579 ( 4.172 0.590 1.938) 4.638 7.659 ( 4.450 -1.593 -2.125) 5.183 8.811 ( 2.465 -1.006 -2.433) 3.607 8.934 ( 4.329 1.437 3.010) 5.464 9.055 ( 3.071 0.088 0.595) 3.129 9.128 ( 2.091 -6.568 -0.014) 6.893 9.436 ( -4.326 0.164 -0.413) 4.349 9.441 ( -4.316 0.051 0.774) 4.385 9.596 ( 6.194 -0.525 -2.004) 6.531 9.639 ( 4.836 -1.678 3.173) 6.022 9.673 ( 3.491 1.508 -1.100) 3.959 9.731 ( 3.335 -3.712 -0.222) 4.995 10.322 ( -0.550 4.366 -0.001) 4.400 10.418 ( -3.816 0.067 3.232) 5.001 10.589 ( 3.707 -2.023 1.614) 4.521 10.641 ( -0.782 -0.117 -9.062) 9.096 10.961 ( -0.870 1.179 -0.711) 1.629 11.151 ( -0.803 1.196 -1.631) 2.176 11.346 ( -19.551 5.412 0.750) 20.300 11.448 ( -17.703 -2.261 6.672) 19.053 12.038 ( 9.985 23.540 -2.878) 25.731 12.174 ( 4.148 9.823 5.266) 11.893 12.709 ( 13.246 -24.899 -7.133) 29.091 12.907 ( 4.229 -13.382 2.949) 14.341 16.153 ( -3.210 9.064 -5.803) 11.231 16.238 ( -6.264 9.751 4.379) 12.390 16.511 ( 2.466 -3.616 -0.342) 4.390 16.583 ( -0.147 -6.894 1.601) 7.079 ======================= Grid point 204 (92/95) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -2.797 7.592 -6.090) 10.127 1.667 ( -5.574 7.503 8.137) 12.392 1.767 ( -5.330 10.284 1.284) 11.654 1.787 ( -2.537 8.626 -6.556) 11.128 2.121 ( 3.983 -2.117 2.033) 4.947 2.216 ( -0.125 -3.293 -2.440) 4.100 2.523 ( 1.070 5.722 -0.336) 5.831 2.651 ( -3.446 -0.510 1.833) 3.936 2.718 ( 1.780 -4.243 2.300) 5.144 2.747 ( 1.382 -6.713 -3.530) 7.710 2.868 ( 2.993 -5.144 1.802) 6.218 2.916 ( 2.007 -0.805 -3.041) 3.732 3.090 ( 2.800 10.395 -0.933) 10.806 3.107 ( 7.649 8.772 2.856) 11.984 3.205 ( -4.135 9.027 3.245) 10.446 3.416 ( 0.110 3.696 1.421) 3.961 3.540 ( -4.915 3.536 -1.290) 6.191 3.702 ( -3.478 -1.374 -4.318) 5.712 3.804 ( 3.320 -6.384 1.572) 7.365 3.849 ( 5.392 -3.156 -0.997) 6.327 3.932 ( 2.182 -4.624 2.114) 5.533 4.064 ( 2.396 -5.456 0.803) 6.013 4.204 ( -1.103 -1.420 -6.479) 6.724 4.271 ( -5.808 2.906 4.890) 8.130 4.437 ( -3.078 1.099 1.862) 3.761 4.511 ( -2.944 -5.859 0.021) 6.557 4.698 ( 0.699 0.176 0.561) 0.913 4.830 ( -4.553 -3.897 -4.725) 7.632 4.953 ( 4.186 0.781 2.655) 5.019 5.006 ( 1.847 1.145 -1.508) 2.645 5.067 ( 3.729 -2.854 2.761) 5.447 5.197 ( -2.510 -1.849 0.071) 3.118 5.276 ( -0.516 -2.037 0.531) 2.167 5.351 ( -4.524 -3.253 -0.814) 5.632 5.469 ( 6.715 -1.503 0.160) 6.883 5.606 ( -0.623 -2.915 0.528) 3.027 5.988 ( 1.073 1.832 1.301) 2.489 6.062 ( -2.381 0.362 -4.264) 4.897 6.308 ( 1.249 0.805 4.920) 5.140 6.382 ( -0.983 1.185 -2.834) 3.225 6.674 ( 2.490 -3.186 -3.429) 5.301 6.770 ( -3.413 -0.676 2.068) 4.047 7.408 ( -0.173 -4.004 -0.517) 4.041 7.431 ( -1.952 -5.318 0.956) 5.746 7.639 ( 3.442 1.693 1.676) 4.186 7.709 ( 1.081 0.468 -1.861) 2.202 8.881 ( 5.770 0.436 -4.584) 7.382 8.986 ( 1.625 2.165 4.376) 5.146 9.119 ( 2.633 -1.748 0.453) 3.193 9.202 ( -0.727 -4.314 0.145) 4.377 9.380 ( -1.662 -0.007 0.084) 1.664 9.399 ( -2.512 -2.322 0.723) 3.496 9.687 ( 3.250 -1.331 -0.416) 3.537 9.705 ( 2.598 -0.577 -0.946) 2.824 9.775 ( 5.991 0.515 2.927) 6.687 9.836 ( 2.427 -3.263 -0.320) 4.079 10.297 ( 3.695 3.895 1.790) 5.660 10.387 ( 2.495 1.910 -3.568) 4.754 10.604 ( -1.892 0.449 -2.768) 3.383 10.665 ( 1.036 -2.076 4.258) 4.849 10.836 ( -9.567 2.928 -3.173) 10.497 10.886 ( -17.832 1.574 -6.959) 19.206 11.168 ( -0.921 3.858 5.623) 6.881 11.263 ( -7.235 -0.136 4.828) 8.699 11.936 ( 7.928 24.547 -5.057) 26.286 12.059 ( -0.648 19.878 4.089) 20.305 13.161 ( 8.504 -27.917 -4.530) 29.532 13.211 ( 4.514 -24.835 3.345) 25.463 15.982 ( -0.975 12.536 -9.249) 15.610 16.026 ( -5.782 14.005 8.555) 17.400 16.576 ( 0.934 -4.071 -0.755) 4.245 16.625 ( -1.559 -3.964 1.073) 4.393 ======================= Grid point 205 (93/95) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 3.723 12.340 -6.791) 14.569 1.511 ( -3.723 12.340 6.791) 14.569 1.640 ( -0.073 8.501 -13.767) 16.180 1.640 ( 0.073 8.501 13.767) 16.180 2.219 ( -3.018 -3.189 -1.479) 4.633 2.219 ( 3.018 -3.189 1.479) 4.633 2.497 ( -3.176 8.645 -0.737) 9.240 2.497 ( 3.176 8.645 0.737) 9.240 2.814 ( -2.202 4.223 -4.029) 6.239 2.814 ( 2.202 4.223 4.029) 6.239 2.867 ( -0.724 7.301 -2.084) 7.627 2.867 ( 0.724 7.301 2.084) 7.627 3.063 ( -2.843 -2.595 -2.553) 4.619 3.063 ( 2.843 -2.595 2.553) 4.619 3.202 ( -8.568 9.407 -1.720) 12.840 3.202 ( 8.568 9.407 1.720) 12.840 3.623 ( -6.722 -4.723 -3.964) 9.121 3.623 ( 6.722 -4.723 3.964) 9.121 3.891 ( -0.263 -4.755 -1.930) 5.139 3.891 ( 0.263 -4.755 1.930) 5.139 4.120 ( -6.721 -3.600 -0.174) 7.626 4.120 ( 6.721 -3.600 0.174) 7.626 4.225 ( -4.999 -7.022 0.443) 8.631 4.225 ( 4.999 -7.022 -0.443) 8.631 4.485 ( -3.792 -4.228 -1.366) 5.842 4.485 ( 3.792 -4.228 1.366) 5.842 4.759 ( -2.974 -0.919 -6.111) 6.858 4.759 ( 2.974 -0.919 6.111) 6.858 4.990 ( -1.020 2.033 -1.973) 3.011 4.990 ( 1.020 2.033 1.973) 3.011 5.182 ( -2.356 -4.615 -3.158) 6.068 5.182 ( 2.356 -4.615 3.158) 6.068 5.316 ( -0.150 -3.600 -1.086) 3.764 5.316 ( 0.150 -3.600 1.086) 3.764 5.593 ( -3.041 -2.393 -0.397) 3.890 5.593 ( 3.041 -2.393 0.397) 3.890 6.005 ( -1.705 0.970 -3.158) 3.718 6.005 ( 1.705 0.970 3.158) 3.718 6.335 ( -1.195 1.572 -4.300) 4.731 6.335 ( 1.195 1.572 4.300) 4.731 6.733 ( 2.536 -1.606 -3.294) 4.457 6.733 ( -2.536 -1.606 3.294) 4.457 7.482 ( 0.618 -7.548 -1.664) 7.753 7.482 ( -0.618 -7.548 1.664) 7.753 7.684 ( -1.497 0.255 -2.381) 2.824 7.684 ( 1.497 0.255 2.381) 2.824 8.951 ( 3.753 2.166 -5.836) 7.268 8.951 ( -3.753 2.166 5.836) 7.268 9.191 ( -2.932 -1.126 0.125) 3.144 9.191 ( 2.932 -1.126 -0.125) 3.144 9.388 ( 1.325 -2.852 -1.320) 3.410 9.388 ( -1.325 -2.852 1.320) 3.410 9.748 ( -0.229 -2.673 -0.260) 2.695 9.748 ( 0.229 -2.673 0.260) 2.695 9.836 ( -3.070 1.199 -0.711) 3.371 9.836 ( 3.070 1.199 0.711) 3.371 10.376 ( -4.902 2.620 -4.070) 6.889 10.376 ( 4.902 2.620 4.070) 6.889 10.596 ( -7.793 1.807 -3.974) 8.932 10.596 ( 7.793 1.807 3.974) 8.932 10.698 ( -1.542 2.178 -2.145) 3.423 10.698 ( 1.542 2.178 2.145) 3.423 11.166 ( -1.505 2.782 -2.285) 3.902 11.166 ( 1.505 2.782 2.285) 3.902 11.797 ( 4.952 22.497 -3.643) 23.322 11.797 ( -4.952 22.497 3.643) 23.322 13.528 ( 1.308 -28.020 -2.903) 28.200 13.528 ( -1.308 -28.020 2.903) 28.200 15.816 ( 2.942 16.674 -12.257) 20.903 15.816 ( -2.942 16.675 12.257) 20.903 16.630 ( 0.440 -2.540 -2.130) 3.344 16.630 ( -0.440 -2.540 2.130) 3.344 ======================= Grid point 213 (94/95) ======================= q-point: (-0.56 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -2.317 -0.000 -6.669) 7.060 1.752 ( -6.514 -0.000 5.119) 8.284 1.893 ( -3.986 -0.000 0.429) 4.009 1.918 ( -3.758 -0.000 -1.496) 4.045 2.081 ( 4.000 0.000 2.534) 4.735 2.172 ( 0.314 0.000 -3.552) 3.566 2.588 ( 0.460 0.000 2.824) 2.861 2.604 ( 1.685 0.000 -0.464) 1.748 2.670 ( 3.121 0.000 -2.310) 3.883 2.673 ( 2.816 0.000 0.192) 2.823 2.834 ( -0.266 -0.000 -3.616) 3.626 2.867 ( -0.956 -0.000 3.370) 3.503 3.137 ( 9.104 0.000 0.536) 9.120 3.246 ( 5.066 0.000 -0.472) 5.088 3.327 ( 0.009 0.000 2.185) 2.185 3.466 ( 3.370 0.000 2.861) 4.421 3.567 ( -8.536 -0.000 -4.820) 9.803 3.651 ( 3.142 0.000 3.430) 4.651 3.776 ( 8.303 0.000 -2.681) 8.725 3.875 ( 3.068 0.000 -2.945) 4.253 3.886 ( -4.637 -0.000 2.731) 5.382 3.949 ( 1.399 0.000 2.890) 3.211 4.212 ( -1.095 -0.000 -7.016) 7.101 4.313 ( -11.170 -0.000 4.616) 12.086 4.436 ( -2.645 -0.000 1.481) 3.031 4.471 ( -7.039 -0.000 1.531) 7.203 4.723 ( -0.336 -0.000 -2.871) 2.891 4.732 ( -2.795 -0.000 1.137) 3.017 4.962 ( 5.057 0.000 1.926) 5.411 5.022 ( 2.421 0.000 -2.754) 3.667 5.040 ( 2.201 0.000 1.308) 2.560 5.180 ( -3.343 -0.000 -0.307) 3.357 5.249 ( -0.369 -0.000 3.080) 3.103 5.322 ( -4.007 -0.000 -2.559) 4.754 5.452 ( 6.008 0.000 0.036) 6.008 5.571 ( 0.057 0.000 0.393) 0.397 6.012 ( 0.717 0.000 2.478) 2.580 6.066 ( -1.630 -0.000 -5.576) 5.809 6.317 ( 1.418 0.000 5.693) 5.867 6.396 ( -0.925 -0.000 -3.148) 3.281 6.633 ( 3.604 0.000 -3.465) 4.999 6.761 ( -3.755 -0.000 1.891) 4.205 7.369 ( -3.072 -0.000 -0.144) 3.075 7.370 ( -2.990 -0.000 0.258) 3.001 7.662 ( 3.148 0.000 4.081) 5.154 7.715 ( 2.366 0.000 -3.969) 4.621 8.888 ( 6.931 0.000 -4.635) 8.338 9.017 ( 1.089 0.000 5.613) 5.717 9.108 ( 1.483 0.000 0.698) 1.639 9.118 ( 1.375 0.000 -0.498) 1.462 9.386 ( -1.312 -0.000 -0.396) 1.370 9.388 ( -1.659 -0.000 0.602) 1.765 9.669 ( 2.646 0.000 -0.101) 2.648 9.694 ( 1.088 0.000 0.238) 1.113 9.791 ( 6.609 0.000 -3.814) 7.631 9.791 ( 5.746 0.000 4.512) 7.306 10.360 ( 2.442 0.000 -1.712) 2.982 10.400 ( 2.467 0.000 3.655) 4.410 10.604 ( -0.576 -0.000 -6.682) 6.707 10.635 ( 1.343 0.000 4.410) 4.609 10.857 ( -11.127 -0.000 -3.145) 11.563 10.907 ( -17.575 -0.000 -8.778) 19.645 11.235 ( -2.326 -0.000 4.500) 5.066 11.236 ( -6.378 -0.000 7.390) 9.761 12.331 ( 4.713 0.000 6.392) 7.941 12.351 ( 5.232 0.000 -4.654) 7.002 12.728 ( 9.904 0.000 -6.340) 11.759 12.866 ( 0.267 0.000 3.170) 3.181 16.137 ( -1.867 -0.000 -3.565) 4.024 16.188 ( -5.314 -0.000 2.217) 5.757 16.518 ( 1.124 0.000 -0.729) 1.340 16.558 ( -0.349 -0.000 1.939) 1.970 ======================= Grid point 215 (95/95) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 2.476 3.460 -7.443) 8.573 1.667 ( -2.476 3.460 7.443) 8.573 1.827 ( -0.053 7.220 -3.721) 8.122 1.827 ( 0.053 7.220 3.721) 8.122 2.160 ( -2.092 -2.230 -3.222) 4.441 2.160 ( 2.092 -2.230 3.222) 4.441 2.608 ( 0.630 1.104 -2.038) 2.402 2.608 ( -0.630 1.104 2.038) 2.402 2.700 ( 0.749 -1.728 -1.610) 2.478 2.700 ( -0.749 -1.728 1.610) 2.478 2.869 ( -0.606 -4.602 -2.556) 5.299 2.869 ( 0.606 -4.602 2.556) 5.299 3.261 ( -1.992 8.677 -0.344) 8.910 3.261 ( 1.992 8.677 0.344) 8.910 3.328 ( -9.408 1.720 -2.725) 9.944 3.328 ( 9.408 1.720 2.725) 9.944 3.601 ( -5.822 1.393 -1.393) 6.146 3.601 ( 5.822 1.393 1.393) 6.146 3.829 ( 0.320 -0.117 -2.360) 2.385 3.829 ( -0.320 -0.117 2.360) 2.385 4.045 ( -8.977 -2.510 -1.594) 9.456 4.045 ( 8.977 -2.510 1.594) 9.456 4.136 ( -5.098 -2.782 -3.104) 6.585 4.136 ( 5.098 -2.782 3.104) 6.585 4.423 ( 1.158 -1.188 -1.413) 2.179 4.423 ( -1.158 -1.188 1.413) 2.179 4.724 ( -1.256 -1.907 -2.102) 3.104 4.724 ( 1.256 -1.907 2.102) 3.104 5.021 ( -1.017 0.838 -2.415) 2.751 5.021 ( 1.017 0.838 2.415) 2.751 5.113 ( -4.163 -1.761 -1.709) 4.833 5.113 ( 4.163 -1.761 1.709) 4.833 5.270 ( -1.272 -1.053 -2.724) 3.185 5.270 ( 1.272 -1.053 2.724) 3.185 5.549 ( -3.373 -1.352 -0.294) 3.646 5.549 ( 3.373 -1.352 0.294) 3.646 6.029 ( -0.763 0.851 -4.065) 4.223 6.029 ( 0.763 0.851 4.065) 4.223 6.357 ( -1.528 0.603 -4.694) 4.973 6.357 ( 1.528 0.603 4.694) 4.973 6.701 ( 4.021 -1.098 -2.938) 5.100 6.701 ( -4.021 -1.098 2.938) 5.100 7.360 ( 0.479 -3.433 -0.827) 3.563 7.360 ( -0.479 -3.433 0.827) 3.563 7.707 ( -1.088 1.033 -3.751) 4.040 7.707 ( 1.088 1.033 3.751) 4.040 8.987 ( 5.245 1.081 -6.266) 8.243 8.987 ( -5.245 1.081 6.266) 8.243 9.137 ( -0.184 -2.370 -0.711) 2.481 9.137 ( 0.184 -2.370 0.711) 2.481 9.375 ( 0.162 0.424 -0.851) 0.965 9.375 ( -0.162 0.424 0.851) 0.965 9.703 ( -0.763 -1.350 -0.160) 1.559 9.703 ( 0.763 -1.350 0.160) 1.559 9.854 ( 0.621 0.358 -3.101) 3.182 9.854 ( -0.621 0.358 3.101) 3.182 10.431 ( -3.965 2.056 -5.234) 6.881 10.431 ( 3.965 2.056 5.234) 6.881 10.614 ( -6.353 0.266 -1.770) 6.600 10.614 ( 6.353 0.266 1.770) 6.600 10.701 ( -2.187 -0.697 -2.899) 3.698 10.701 ( 2.187 -0.697 2.899) 3.698 11.206 ( -0.663 1.001 -1.600) 2.000 11.206 ( 0.663 1.001 1.600) 2.000 12.258 ( 2.257 20.367 -5.005) 21.093 12.258 ( -2.257 20.367 5.005) 21.093 12.983 ( 3.299 -22.701 -4.206) 23.322 12.983 ( -3.299 -22.701 4.206) 23.322 16.084 ( 2.432 8.234 -5.554) 10.226 16.084 ( -2.432 8.234 5.554) 10.226 16.560 ( 1.273 -3.263 -1.076) 3.664 16.560 ( -1.273 -3.263 1.076) 3.664 =================== 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 3/23328 10.0 884.816 911.724 562.363 0.000 -34.405 0.000 3/23328 20.0 148.819 142.080 99.402 0.000 -3.843 0.000 3/23328 30.0 48.717 47.393 35.640 -0.000 -1.170 0.000 3/23328 40.0 24.800 24.369 18.350 -0.000 -0.604 0.000 3/23328 50.0 15.882 15.638 11.565 -0.000 -0.393 0.000 3/23328 60.0 11.529 11.335 8.236 -0.000 -0.287 0.000 3/23328 70.0 9.020 8.844 6.339 -0.000 -0.225 0.000 3/23328 80.0 7.408 7.244 5.138 -0.000 -0.185 0.000 3/23328 90.0 6.295 6.139 4.319 -0.000 -0.158 0.000 3/23328 100.0 5.484 5.336 3.729 -0.000 -0.138 0.000 3/23328 110.0 4.868 4.728 3.284 -0.000 -0.123 0.000 3/23328 120.0 4.386 4.252 2.938 -0.000 -0.112 0.000 3/23328 130.0 3.999 3.871 2.660 -0.000 -0.102 0.000 3/23328 140.0 3.680 3.559 2.434 -0.000 -0.094 0.000 3/23328 150.0 3.413 3.298 2.244 -0.000 -0.088 0.000 3/23328 160.0 3.186 3.076 2.084 -0.000 -0.082 0.000 3/23328 170.0 2.990 2.886 1.947 -0.000 -0.077 0.000 3/23328 180.0 2.818 2.719 1.827 -0.000 -0.073 0.000 3/23328 190.0 2.667 2.573 1.723 -0.000 -0.069 0.000 3/23328 200.0 2.533 2.443 1.630 -0.000 -0.065 0.000 3/23328 210.0 2.412 2.326 1.547 -0.000 -0.062 0.000 3/23328 220.0 2.303 2.221 1.473 -0.000 -0.060 0.000 3/23328 230.0 2.204 2.126 1.405 -0.000 -0.057 0.000 3/23328 240.0 2.114 2.039 1.344 -0.000 -0.055 0.000 3/23328 250.0 2.031 1.959 1.289 -0.000 -0.052 0.000 3/23328 260.0 1.955 1.885 1.237 -0.000 -0.051 0.000 3/23328 270.0 1.884 1.817 1.190 -0.000 -0.049 0.000 3/23328 280.0 1.818 1.754 1.147 -0.000 -0.047 0.000 3/23328 290.0 1.757 1.695 1.106 -0.000 -0.045 0.000 3/23328 300.0 1.700 1.640 1.069 -0.000 -0.044 0.000 3/23328 310.0 1.647 1.589 1.034 -0.000 -0.042 0.000 3/23328 320.0 1.597 1.541 1.001 -0.000 -0.041 0.000 3/23328 330.0 1.550 1.495 0.970 -0.000 -0.040 0.000 3/23328 340.0 1.505 1.453 0.942 -0.000 -0.039 0.000 3/23328 350.0 1.463 1.412 0.914 -0.000 -0.038 0.000 3/23328 360.0 1.424 1.374 0.889 -0.000 -0.037 0.000 3/23328 370.0 1.386 1.338 0.865 -0.000 -0.036 0.000 3/23328 380.0 1.351 1.304 0.842 -0.000 -0.035 0.000 3/23328 390.0 1.317 1.271 0.820 -0.000 -0.034 0.000 3/23328 400.0 1.285 1.241 0.799 -0.000 -0.033 0.000 3/23328 410.0 1.254 1.211 0.780 -0.000 -0.032 0.000 3/23328 420.0 1.225 1.183 0.761 -0.000 -0.031 0.000 3/23328 430.0 1.197 1.156 0.743 -0.000 -0.031 0.000 3/23328 440.0 1.171 1.131 0.727 -0.000 -0.030 0.000 3/23328 450.0 1.145 1.106 0.710 -0.000 -0.029 0.000 3/23328 460.0 1.121 1.083 0.695 -0.000 -0.029 0.000 3/23328 470.0 1.097 1.060 0.680 -0.000 -0.028 0.000 3/23328 480.0 1.075 1.039 0.666 -0.000 -0.028 0.000 3/23328 490.0 1.054 1.018 0.652 -0.000 -0.027 0.000 3/23328 500.0 1.033 0.998 0.639 -0.000 -0.026 0.000 3/23328 510.0 1.013 0.979 0.627 -0.000 -0.026 0.000 3/23328 520.0 0.994 0.960 0.615 -0.000 -0.025 0.000 3/23328 530.0 0.975 0.943 0.603 -0.000 -0.025 0.000 3/23328 540.0 0.958 0.925 0.592 -0.000 -0.025 0.000 3/23328 550.0 0.941 0.909 0.581 -0.000 -0.024 0.000 3/23328 560.0 0.924 0.893 0.571 -0.000 -0.024 0.000 3/23328 570.0 0.908 0.878 0.561 -0.000 -0.023 0.000 3/23328 580.0 0.893 0.863 0.551 -0.000 -0.023 0.000 3/23328 590.0 0.878 0.848 0.542 -0.000 -0.022 0.000 3/23328 600.0 0.863 0.834 0.533 -0.000 -0.022 0.000 3/23328 610.0 0.849 0.821 0.524 -0.000 -0.022 0.000 3/23328 620.0 0.836 0.808 0.516 -0.000 -0.021 0.000 3/23328 630.0 0.823 0.795 0.507 -0.000 -0.021 0.000 3/23328 640.0 0.810 0.783 0.500 -0.000 -0.021 0.000 3/23328 650.0 0.798 0.771 0.492 -0.000 -0.020 0.000 3/23328 660.0 0.786 0.760 0.484 -0.000 -0.020 0.000 3/23328 670.0 0.774 0.749 0.477 -0.000 -0.020 0.000 3/23328 680.0 0.763 0.738 0.470 -0.000 -0.020 0.000 3/23328 690.0 0.752 0.727 0.463 -0.000 -0.019 0.000 3/23328 700.0 0.742 0.717 0.457 -0.000 -0.019 0.000 3/23328 710.0 0.731 0.707 0.450 -0.000 -0.019 0.000 3/23328 720.0 0.721 0.697 0.444 -0.000 -0.018 0.000 3/23328 730.0 0.711 0.688 0.438 -0.000 -0.018 0.000 3/23328 740.0 0.702 0.679 0.432 -0.000 -0.018 0.000 3/23328 750.0 0.693 0.670 0.426 -0.000 -0.018 0.000 3/23328 760.0 0.684 0.661 0.421 -0.000 -0.017 0.000 3/23328 770.0 0.675 0.652 0.415 -0.000 -0.017 0.000 3/23328 780.0 0.666 0.644 0.410 -0.000 -0.017 0.000 3/23328 790.0 0.658 0.636 0.405 -0.000 -0.017 0.000 3/23328 800.0 0.650 0.628 0.400 -0.000 -0.017 0.000 3/23328 810.0 0.642 0.621 0.395 -0.000 -0.016 0.000 3/23328 820.0 0.634 0.613 0.390 -0.000 -0.016 0.000 3/23328 830.0 0.626 0.606 0.385 -0.000 -0.016 0.000 3/23328 840.0 0.619 0.599 0.381 -0.000 -0.016 0.000 3/23328 850.0 0.612 0.592 0.376 -0.000 -0.016 0.000 3/23328 860.0 0.605 0.585 0.372 -0.000 -0.015 0.000 3/23328 870.0 0.598 0.578 0.368 -0.000 -0.015 0.000 3/23328 880.0 0.591 0.572 0.363 -0.000 -0.015 0.000 3/23328 890.0 0.585 0.565 0.359 -0.000 -0.015 0.000 3/23328 900.0 0.578 0.559 0.355 -0.000 -0.015 0.000 3/23328 910.0 0.572 0.553 0.351 -0.000 -0.015 0.000 3/23328 920.0 0.566 0.547 0.348 -0.000 -0.014 0.000 3/23328 930.0 0.560 0.541 0.344 -0.000 -0.014 0.000 3/23328 940.0 0.554 0.536 0.340 -0.000 -0.014 0.000 3/23328 950.0 0.548 0.530 0.337 -0.000 -0.014 0.000 3/23328 960.0 0.542 0.524 0.333 -0.000 -0.014 0.000 3/23328 970.0 0.537 0.519 0.330 -0.000 -0.014 0.000 3/23328 980.0 0.531 0.514 0.326 -0.000 -0.014 0.000 3/23328 990.0 0.526 0.509 0.323 -0.000 -0.013 0.000 3/23328 1000.0 0.521 0.504 0.320 -0.000 -0.013 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:53:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|